Starting phenix.real_space_refine on Wed Mar 27 06:22:51 2024 by dcliebschner =============================================================================== Processing files: ------------------------------------------------------------------------------- Found model, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uzc_20956/03_2024/6uzc_20956.pdb Found real_map, /net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uzc_20956/03_2024/6uzc_20956.map Processing PHIL parameters: ------------------------------------------------------------------------------- Adding command-line PHIL: ------------------------- refinement.macro_cycles=10 scattering_table=electron resolution=4.5 write_initial_geo_file=False Final processed PHIL parameters: ------------------------------------------------------------------------------- data_manager { real_map_files = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uzc_20956/03_2024/6uzc_20956.map" default_real_map = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uzc_20956/03_2024/6uzc_20956.map" model { file = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uzc_20956/03_2024/6uzc_20956.pdb" } default_model = "/net/marbles/raid1/dorothee/rerefine/cryoem/data_no_H/6uzc_20956/03_2024/6uzc_20956.pdb" } resolution = 4.5 write_initial_geo_file = False refinement { macro_cycles = 10 } qi { qm_restraints { package { program = *test } } } Starting job =============================================================================== ------------------------------------------------------------------------------- Citation: ********* Afonine PV, Poon BK, Read RJ, Sobolev OV, Terwilliger TC, Urzhumtsev A, Adams PD. (2018) Real-space refinement in PHENIX for cryo-EM and crystallography. Acta Cryst. D74:531-544. Validating inputs ------------------------------------------------------------------------------- Processing inputs ***************** Set random seed Set to: 0 Set model cs if undefined Decide on map wrapping Map wrapping is set to: False Normalize map: mean=0, sd=1 Input map: mean= 0.019 sd= 0.603 Set stop_for_unknowns flag Set to: True Assert model is a single copy model Assert all atoms have isotropic ADPs Construct map_model_manager Extract box with map and model Check model and map are aligned Set scattering table Set to: electron Number of scattering types: 4 Type Number sf(0) Gaussians S 707 5.16 5 C 95084 2.51 5 N 25757 2.21 5 O 28764 1.98 5 sf(0) = scattering factor at diffraction angle 0. Process input model Symmetric amino acids flipped Residue "a GLU 249": "OE1" <-> "OE2" Residue "b TYR 424": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b PHE 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 449": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "b TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d GLU 67": "OE1" <-> "OE2" Residue "d GLU 249": "OE1" <-> "OE2" Residue "d PHE 252": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "d TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e GLU 260": "OE1" <-> "OE2" Residue "e TYR 421": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "e PHE 473": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 131": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 404": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 421": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 424": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 433": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f PHE 473": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "f TYR 512": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "g PHE 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h PHE 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "h TYR 449": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 421": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 453": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i PHE 484": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "i TYR 512": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j TYR 189": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "j GLU 260": "OE1" <-> "OE2" Residue "k TYR 131": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k GLU 237": "OE1" <-> "OE2" Residue "k PHE 239": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k TYR 421": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "k PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l TYR 421": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "l PHE 473": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "m GLU 223": "OE1" <-> "OE2" Residue "n TYR 312": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 424": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "n TYR 438": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "o GLU 67": "OE1" <-> "OE2" Residue "p GLU 226": "OE1" <-> "OE2" Residue "p PHE 404": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "p PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q TYR 189": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 473": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "q PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r GLU 249": "OE1" <-> "OE2" Residue "r TYR 424": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 473": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "r PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "s PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "t TYR 312": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "u GLU 67": "OE1" <-> "OE2" Residue "u PHE 252": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v TYR 449": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "v PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 131": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w TYR 421": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "w PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x GLU 249": "OE1" <-> "OE2" Residue "x ARG 279": "NH1" <-> "NH2" Residue "x ARG 422": "NH1" <-> "NH2" Residue "x TYR 424": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 449": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "x TYR 512": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 148": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "y TYR 477": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z TYR 148": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "z GLU 305": "OE1" <-> "OE2" Residue "z PHE 434": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "A PHE 484": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 424": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B TYR 449": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "B PHE 513": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D ASP 255": "OD1" <-> "OD2" Residue "D TYR 421": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "D TYR 449": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "E ASP 163": "OD1" <-> "OD2" Residue "E GLU 193": "OE1" <-> "OE2" Residue "E ASP 209": "OD1" <-> "OD2" Residue "E TYR 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F GLU 26": "OE1" <-> "OE2" Residue "F PHE 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F ASP 163": "OD1" <-> "OD2" Residue "F GLU 187": "OE1" <-> "OE2" Residue "F PHE 206": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "F TYR 334": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G TYR 65": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "G PHE 157": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H GLU 26": "OE1" <-> "OE2" Residue "H TYR 102": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H PHE 206": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "H TYR 480": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "I GLU 223": "OE1" <-> "OE2" Residue "J PHE 476": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "K GLU 456": "OE1" <-> "OE2" Residue "L GLU 103": "OE1" <-> "OE2" Residue "M PHE 139": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M GLU 191": "OE1" <-> "OE2" Residue "M GLU 204": "OE1" <-> "OE2" Residue "M TYR 237": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "M TYR 286": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "N GLU 42": "OE1" <-> "OE2" Residue "N GLU 49": "OE1" <-> "OE2" Residue "N GLU 103": "OE1" <-> "OE2" Residue "N TYR 208": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "O GLU 49": "OE1" <-> "OE2" Residue "P PHE 158": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P TYR 202": "CD1" <-> "CD2" "CE1" <-> "CE2" Residue "P GLU 204": "OE1" <-> "OE2" Time to flip residues: 0.28s Monomer Library directory: "/net/cci-filer2/raid1/xp/phenix/phenix-dev-5265/modules/chem_data/mon_lib" Total number of atoms: 150312 Number of models: 1 Model: "" Number of chains: 42 Chain: "a" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'CIS': 1, 'PTRANS': 19, 'TRANS': 435} Chain: "b" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "c" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "d" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "e" Number of atoms: 3249 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3249 Classifications: {'peptide': 430} Link IDs: {'PTRANS': 19, 'TRANS': 410} Chain: "f" Number of atoms: 3418 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3418 Classifications: {'peptide': 456} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 19, 'TRANS': 436} Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 8 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "g" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'CIS': 2, 'PTRANS': 19, 'TRANS': 434} Chain: "h" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'CIS': 1, 'PTRANS': 19, 'TRANS': 435} Chain: "i" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "j" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "k" Number of atoms: 3245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3245 Classifications: {'peptide': 430} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 19, 'TRANS': 410} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "l" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "m" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'CIS': 1, 'PTRANS': 19, 'TRANS': 435} Chain: "n" Number of atoms: 3418 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3418 Classifications: {'peptide': 456} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 19, 'TRANS': 436} Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 8 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "o" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'CIS': 2, 'PTRANS': 19, 'TRANS': 434} Chain: "p" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "q" Number of atoms: 3245 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3245 Classifications: {'peptide': 430} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 19, 'TRANS': 410} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLU:plan': 1} Unresolved non-hydrogen planarities: 4 Chain: "r" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "s" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'CIS': 1, 'PCIS': 1, 'PTRANS': 18, 'TRANS': 435} Chain: "t" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "u" Number of atoms: 3421 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3421 Classifications: {'peptide': 456} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 19, 'TRANS': 436} Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 5 Unresolved non-hydrogen dihedrals: 3 Planarities with less than four sites: {'GLN:plan1': 1} Unresolved non-hydrogen planarities: 4 Chain: "v" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "w" Number of atoms: 3249 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3249 Classifications: {'peptide': 430} Link IDs: {'PTRANS': 19, 'TRANS': 410} Chain: "x" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "y" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'CIS': 1, 'PTRANS': 19, 'TRANS': 435} Chain: "z" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "A" Number of atoms: 3418 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3418 Classifications: {'peptide': 456} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'PTRANS': 19, 'TRANS': 436} Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 8 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "B" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PCIS': 1, 'PTRANS': 18, 'TRANS': 436} Chain: "C" Number of atoms: 3236 Number of conformers: 1 Conformer: "" Number of residues, atoms: 430, 3236 Classifications: {'peptide': 430} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'PTRANS': 19, 'TRANS': 410} Unresolved non-hydrogen bonds: 15 Unresolved non-hydrogen angles: 21 Unresolved non-hydrogen dihedrals: 16 Planarities with less than four sites: {'GLN:plan1': 1, 'TRP:plan': 1} Unresolved non-hydrogen planarities: 13 Chain: "D" Number of atoms: 3425 Number of conformers: 1 Conformer: "" Number of residues, atoms: 456, 3425 Classifications: {'peptide': 456} Link IDs: {'PTRANS': 19, 'TRANS': 436} Chain: "E" Number of atoms: 4067 Number of conformers: 1 Conformer: "" Number of residues, atoms: 496, 4067 Classifications: {'peptide': 496} Link IDs: {'CIS': 3, 'PCIS': 2, 'PTRANS': 14, 'TRANS': 476} Chain breaks: 1 Chain: "F" Number of atoms: 4060 Number of conformers: 1 Conformer: "" Number of residues, atoms: 496, 4060 Classifications: {'peptide': 496} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'CIS': 3, 'PCIS': 2, 'PTRANS': 14, 'TRANS': 476} Chain breaks: 1 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 8 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "G" Number of atoms: 4018 Number of conformers: 1 Conformer: "" Number of residues, atoms: 492, 4018 Classifications: {'peptide': 492} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'CIS': 3, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 472} Chain breaks: 1 Unresolved non-hydrogen bonds: 14 Unresolved non-hydrogen angles: 18 Unresolved non-hydrogen dihedrals: 13 Planarities with less than four sites: {'TYR:plan': 1, 'ARG:plan': 1} Unresolved non-hydrogen planarities: 12 Chain: "H" Number of atoms: 4016 Number of conformers: 1 Conformer: "" Number of residues, atoms: 490, 4016 Classifications: {'peptide': 490} Link IDs: {'CIS': 4, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 469} Chain breaks: 1 Chain: "I" Number of atoms: 4024 Number of conformers: 1 Conformer: "" Number of residues, atoms: 492, 4024 Classifications: {'peptide': 492} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'CIS': 3, 'PCIS': 2, 'PTRANS': 14, 'TRANS': 472} Chain breaks: 1 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 8 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "J" Number of atoms: 4024 Number of conformers: 1 Conformer: "" Number of residues, atoms: 492, 4024 Classifications: {'peptide': 492} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'CIS': 4, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 471} Chain breaks: 1 Unresolved non-hydrogen bonds: 8 Unresolved non-hydrogen angles: 11 Unresolved non-hydrogen dihedrals: 8 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "K" Number of atoms: 4064 Number of conformers: 1 Conformer: "" Number of residues, atoms: 496, 4064 Classifications: {'peptide': 496} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'CIS': 3, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 476} Chain breaks: 1 Unresolved non-hydrogen bonds: 3 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 2 Planarities with less than four sites: {'ASP:plan': 1} Unresolved non-hydrogen planarities: 3 Chain: "L" Number of atoms: 4013 Number of conformers: 1 Conformer: "" Number of residues, atoms: 491, 4013 Classifications: {'peptide': 491} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'CIS': 3, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 471} Chain breaks: 1 Unresolved non-hydrogen bonds: 12 Unresolved non-hydrogen angles: 15 Unresolved non-hydrogen dihedrals: 12 Planarities with less than four sites: {'TYR:plan': 1} Unresolved non-hydrogen planarities: 7 Chain: "M" Number of atoms: 4067 Number of conformers: 1 Conformer: "" Number of residues, atoms: 496, 4067 Classifications: {'peptide': 496} Link IDs: {'CIS': 3, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 476} Chain breaks: 1 Chain: "N" Number of atoms: 4013 Number of conformers: 1 Conformer: "" Number of residues, atoms: 491, 4013 Classifications: {'peptide': 491} Incomplete info: {'truncation_to_alanine': 2} Link IDs: {'CIS': 3, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 471} Chain breaks: 1 Unresolved non-hydrogen bonds: 13 Unresolved non-hydrogen angles: 17 Unresolved non-hydrogen dihedrals: 13 Planarities with less than four sites: {'PHE:plan': 1, 'HIS:plan': 1} Unresolved non-hydrogen planarities: 11 Chain: "O" Number of atoms: 4059 Number of conformers: 1 Conformer: "" Number of residues, atoms: 495, 4059 Classifications: {'peptide': 495} Link IDs: {'CIS': 4, 'PCIS': 1, 'PTRANS': 15, 'TRANS': 474} Chain breaks: 1 Chain: "P" Number of atoms: 4063 Number of conformers: 1 Conformer: "" Number of residues, atoms: 496, 4063 Classifications: {'peptide': 496} Incomplete info: {'truncation_to_alanine': 1} Link IDs: {'CIS': 3, 'PCIS': 2, 'PTRANS': 14, 'TRANS': 476} Chain breaks: 1 Unresolved non-hydrogen bonds: 4 Unresolved non-hydrogen angles: 4 Unresolved non-hydrogen dihedrals: 4 Time building chain proxies: 55.38, per 1000 atoms: 0.37 Number of scatterers: 150312 At special positions: 0 Unit cell: (367.2, 370.08, 138.24, 90, 90, 90) Space group: P 1 (No. 1) Number of sites at special positions: 0 Number of scattering types: 4 Type Number sf(0) S 707 16.00 O 28764 8.00 N 25757 7.00 C 95084 6.00 sf(0) = scattering factor at diffraction angle 0. Number of disulfides: simple=0, symmetry=0 Automatic linking Parameters for automatic linking Linking & cutoffs Metal : Auto - 3.50 Amino acid : False - 1.90 Carbohydrate : True - 1.99 Ligands : True - 1.99 Small molecules : False - 1.98 Amino acid - RNA/DNA : False Number of custom bonds: simple=0, symmetry=0 Time building additional restraints: 47.07 Conformation dependent library (CDL) restraints added in 19.4 seconds 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. Adding C-beta torsion restraints... Number of C-beta restraints generated: 35600 Finding SS restraints... Secondary structure from input PDB file: 632 helices and 289 sheets defined 35.7% alpha, 21.8% beta 0 base pairs and 0 stacking pairs defined. Time for finding SS restraints: 12.97 Creating SS restraints... Processing helix chain 'a' and resid 75 through 79 Processing helix chain 'a' and resid 156 through 160 Processing helix chain 'a' and resid 204 through 218 Processing helix chain 'a' and resid 229 through 237 removed outlier: 4.896A pdb=" N LEU a 235 " --> pdb=" O SER a 231 " (cutoff:3.500A) Processing helix chain 'a' and resid 271 through 279 Processing helix chain 'a' and resid 287 through 313 Processing helix chain 'a' and resid 319 through 323 Processing helix chain 'a' and resid 345 through 350 Processing helix chain 'a' and resid 350 through 369 removed outlier: 3.568A pdb=" N LEU a 354 " --> pdb=" O PHE a 350 " (cutoff:3.500A) Processing helix chain 'a' and resid 379 through 388 Processing helix chain 'a' and resid 418 through 420 No H-bonds generated for 'chain 'a' and resid 418 through 420' Processing helix chain 'a' and resid 442 through 446 removed outlier: 3.995A pdb=" N ALA a 446 " --> pdb=" O GLU a 443 " (cutoff:3.500A) Processing helix chain 'a' and resid 492 through 496 removed outlier: 3.612A pdb=" N ARG a 495 " --> pdb=" O PRO a 492 " (cutoff:3.500A) removed outlier: 3.543A pdb=" N ILE a 496 " --> pdb=" O ALA a 493 " (cutoff:3.500A) No H-bonds generated for 'chain 'a' and resid 492 through 496' Processing helix chain 'b' and resid 75 through 80 Processing helix chain 'b' and resid 156 through 161 Processing helix chain 'b' and resid 204 through 218 Processing helix chain 'b' and resid 229 through 234 Processing helix chain 'b' and resid 235 through 242 removed outlier: 6.478A pdb=" N ASN b 240 " --> pdb=" O GLU b 237 " (cutoff:3.500A) Processing helix chain 'b' and resid 271 through 282 removed outlier: 3.770A pdb=" N ALA b 280 " --> pdb=" O GLN b 276 " (cutoff:3.500A) Processing helix chain 'b' and resid 287 through 313 Processing helix chain 'b' and resid 319 through 323 Processing helix chain 'b' and resid 345 through 369 removed outlier: 5.434A pdb=" N LYS b 351 " --> pdb=" O GLY b 347 " (cutoff:3.500A) removed outlier: 4.175A pdb=" N ALA b 352 " --> pdb=" O GLU b 348 " (cutoff:3.500A) removed outlier: 4.085A pdb=" N LEU b 353 " --> pdb=" O SER b 349 " (cutoff:3.500A) removed outlier: 3.518A pdb=" N LEU b 354 " --> pdb=" O PHE b 350 " (cutoff:3.500A) Processing helix chain 'b' and resid 379 through 387 Processing helix chain 'b' and resid 418 through 420 No H-bonds generated for 'chain 'b' and resid 418 through 420' Processing helix chain 'b' and resid 442 through 446 Processing helix chain 'b' and resid 492 through 494 No H-bonds generated for 'chain 'b' and resid 492 through 494' Processing helix chain 'b' and resid 502 through 507 Processing helix chain 'c' and resid 75 through 82 Processing helix chain 'c' and resid 156 through 161 Processing helix chain 'c' and resid 204 through 218 Processing helix chain 'c' and resid 229 through 234 Processing helix chain 'c' and resid 238 through 242 Processing helix chain 'c' and resid 271 through 282 Processing helix chain 'c' and resid 286 through 313 Processing helix chain 'c' and resid 319 through 323 Processing helix chain 'c' and resid 348 through 369 Processing helix chain 'c' and resid 379 through 388 Processing helix chain 'c' and resid 418 through 420 No H-bonds generated for 'chain 'c' and resid 418 through 420' Processing helix chain 'c' and resid 492 through 494 No H-bonds generated for 'chain 'c' and resid 492 through 494' Processing helix chain 'c' and resid 502 through 507 Processing helix chain 'd' and resid 75 through 82 Processing helix chain 'd' and resid 156 through 161 Processing helix chain 'd' and resid 204 through 218 Processing helix chain 'd' and resid 229 through 234 Processing helix chain 'd' and resid 238 through 242 Processing helix chain 'd' and resid 271 through 283 Processing helix chain 'd' and resid 287 through 313 Processing helix chain 'd' and resid 319 through 323 Processing helix chain 'd' and resid 345 through 350 Processing helix chain 'd' and resid 350 through 367 removed outlier: 4.153A pdb=" N LEU d 354 " --> pdb=" O PHE d 350 " (cutoff:3.500A) Processing helix chain 'd' and resid 379 through 388 Processing helix chain 'd' and resid 418 through 420 No H-bonds generated for 'chain 'd' and resid 418 through 420' Processing helix chain 'd' and resid 492 through 494 No H-bonds generated for 'chain 'd' and resid 492 through 494' Processing helix chain 'd' and resid 502 through 507 Processing helix chain 'e' and resid 156 through 160 Processing helix chain 'e' and resid 204 through 218 Processing helix chain 'e' and resid 229 through 234 Processing helix chain 'e' and resid 238 through 242 removed outlier: 3.975A pdb=" N GLY e 241 " --> pdb=" O GLY e 238 " (cutoff:3.500A) Processing helix chain 'e' and resid 271 through 280 Processing helix chain 'e' and resid 287 through 313 Processing helix chain 'e' and resid 319 through 323 Processing helix chain 'e' and resid 336 through 340 Processing helix chain 'e' and resid 345 through 350 Processing helix chain 'e' and resid 350 through 369 removed outlier: 4.096A pdb=" N LEU e 354 " --> pdb=" O PHE e 350 " (cutoff:3.500A) Processing helix chain 'e' and resid 380 through 387 Processing helix chain 'e' and resid 418 through 420 No H-bonds generated for 'chain 'e' and resid 418 through 420' Processing helix chain 'e' and resid 492 through 494 No H-bonds generated for 'chain 'e' and resid 492 through 494' Processing helix chain 'e' and resid 502 through 507 Processing helix chain 'f' and resid 75 through 82 Processing helix chain 'f' and resid 156 through 160 Processing helix chain 'f' and resid 204 through 218 Processing helix chain 'f' and resid 229 through 234 Processing helix chain 'f' and resid 238 through 242 removed outlier: 3.859A pdb=" N GLY f 241 " --> pdb=" O GLY f 238 " (cutoff:3.500A) Processing helix chain 'f' and resid 271 through 279 Processing helix chain 'f' and resid 286 through 313 Processing helix chain 'f' and resid 319 through 323 Processing helix chain 'f' and resid 336 through 341 removed outlier: 3.781A pdb=" N ARG f 341 " --> pdb=" O ILE f 338 " (cutoff:3.500A) Processing helix chain 'f' and resid 345 through 369 removed outlier: 5.047A pdb=" N LYS f 351 " --> pdb=" O GLY f 347 " (cutoff:3.500A) Processing helix chain 'f' and resid 379 through 387 Processing helix chain 'f' and resid 418 through 420 No H-bonds generated for 'chain 'f' and resid 418 through 420' Processing helix chain 'f' and resid 492 through 494 No H-bonds generated for 'chain 'f' and resid 492 through 494' Processing helix chain 'f' and resid 502 through 507 Processing helix chain 'g' and resid 75 through 81 Processing helix chain 'g' and resid 156 through 161 Processing helix chain 'g' and resid 204 through 218 Processing helix chain 'g' and resid 229 through 238 removed outlier: 5.359A pdb=" N LEU g 235 " --> pdb=" O SER g 231 " (cutoff:3.500A) Processing helix chain 'g' and resid 271 through 280 removed outlier: 3.678A pdb=" N LEU g 278 " --> pdb=" O LEU g 274 " (cutoff:3.500A) removed outlier: 4.225A pdb=" N ARG g 279 " --> pdb=" O ALA g 275 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N ALA g 280 " --> pdb=" O GLN g 276 " (cutoff:3.500A) Processing helix chain 'g' and resid 287 through 313 Processing helix chain 'g' and resid 319 through 323 Processing helix chain 'g' and resid 336 through 341 Processing helix chain 'g' and resid 345 through 369 removed outlier: 5.177A pdb=" N LYS g 351 " --> pdb=" O GLY g 347 " (cutoff:3.500A) removed outlier: 3.545A pdb=" N ALA g 352 " --> pdb=" O GLU g 348 " (cutoff:3.500A) Processing helix chain 'g' and resid 379 through 387 Processing helix chain 'g' and resid 418 through 420 No H-bonds generated for 'chain 'g' and resid 418 through 420' Processing helix chain 'g' and resid 442 through 446 Processing helix chain 'g' and resid 492 through 494 No H-bonds generated for 'chain 'g' and resid 492 through 494' Processing helix chain 'h' and resid 75 through 82 Processing helix chain 'h' and resid 156 through 161 Processing helix chain 'h' and resid 204 through 218 Processing helix chain 'h' and resid 229 through 234 Processing helix chain 'h' and resid 238 through 242 removed outlier: 3.894A pdb=" N GLY h 241 " --> pdb=" O GLY h 238 " (cutoff:3.500A) Processing helix chain 'h' and resid 271 through 283 Processing helix chain 'h' and resid 286 through 313 Processing helix chain 'h' and resid 319 through 323 Processing helix chain 'h' and resid 345 through 369 removed outlier: 5.120A pdb=" N LYS h 351 " --> pdb=" O GLY h 347 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LEU h 353 " --> pdb=" O SER h 349 " (cutoff:3.500A) removed outlier: 3.542A pdb=" N LEU h 354 " --> pdb=" O PHE h 350 " (cutoff:3.500A) Processing helix chain 'h' and resid 379 through 387 Processing helix chain 'h' and resid 418 through 420 No H-bonds generated for 'chain 'h' and resid 418 through 420' Processing helix chain 'h' and resid 442 through 446 Processing helix chain 'h' and resid 492 through 494 No H-bonds generated for 'chain 'h' and resid 492 through 494' Processing helix chain 'h' and resid 502 through 507 Processing helix chain 'i' and resid 75 through 82 Processing helix chain 'i' and resid 156 through 161 Processing helix chain 'i' and resid 204 through 218 Processing helix chain 'i' and resid 230 through 235 Processing helix chain 'i' and resid 238 through 242 Processing helix chain 'i' and resid 271 through 283 Processing helix chain 'i' and resid 286 through 313 Processing helix chain 'i' and resid 319 through 323 Processing helix chain 'i' and resid 345 through 350 Processing helix chain 'i' and resid 351 through 369 Processing helix chain 'i' and resid 379 through 388 Processing helix chain 'i' and resid 418 through 420 No H-bonds generated for 'chain 'i' and resid 418 through 420' Processing helix chain 'i' and resid 492 through 494 No H-bonds generated for 'chain 'i' and resid 492 through 494' Processing helix chain 'i' and resid 502 through 507 Processing helix chain 'j' and resid 75 through 82 Processing helix chain 'j' and resid 156 through 161 Processing helix chain 'j' and resid 204 through 218 Processing helix chain 'j' and resid 229 through 234 Processing helix chain 'j' and resid 238 through 242 removed outlier: 4.098A pdb=" N GLY j 241 " --> pdb=" O GLY j 238 " (cutoff:3.500A) Processing helix chain 'j' and resid 271 through 283 Processing helix chain 'j' and resid 287 through 313 Processing helix chain 'j' and resid 319 through 323 Processing helix chain 'j' and resid 345 through 350 Processing helix chain 'j' and resid 350 through 369 removed outlier: 4.251A pdb=" N LEU j 354 " --> pdb=" O PHE j 350 " (cutoff:3.500A) Processing helix chain 'j' and resid 379 through 388 Processing helix chain 'j' and resid 418 through 420 No H-bonds generated for 'chain 'j' and resid 418 through 420' Processing helix chain 'j' and resid 442 through 446 removed outlier: 3.815A pdb=" N ALA j 446 " --> pdb=" O GLU j 443 " (cutoff:3.500A) Processing helix chain 'j' and resid 492 through 494 No H-bonds generated for 'chain 'j' and resid 492 through 494' Processing helix chain 'j' and resid 502 through 507 Processing helix chain 'k' and resid 156 through 161 Processing helix chain 'k' and resid 204 through 218 Processing helix chain 'k' and resid 229 through 234 Processing helix chain 'k' and resid 238 through 242 removed outlier: 4.274A pdb=" N GLY k 241 " --> pdb=" O GLY k 238 " (cutoff:3.500A) Processing helix chain 'k' and resid 271 through 283 Processing helix chain 'k' and resid 287 through 313 Processing helix chain 'k' and resid 319 through 323 Processing helix chain 'k' and resid 345 through 350 Processing helix chain 'k' and resid 350 through 369 removed outlier: 4.015A pdb=" N LEU k 354 " --> pdb=" O PHE k 350 " (cutoff:3.500A) Processing helix chain 'k' and resid 379 through 388 Processing helix chain 'k' and resid 418 through 420 No H-bonds generated for 'chain 'k' and resid 418 through 420' Processing helix chain 'k' and resid 502 through 507 Processing helix chain 'l' and resid 75 through 80 Processing helix chain 'l' and resid 156 through 160 Processing helix chain 'l' and resid 204 through 218 Processing helix chain 'l' and resid 229 through 234 Processing helix chain 'l' and resid 238 through 242 removed outlier: 3.735A pdb=" N GLY l 241 " --> pdb=" O GLY l 238 " (cutoff:3.500A) Processing helix chain 'l' and resid 271 through 283 Processing helix chain 'l' and resid 287 through 313 Processing helix chain 'l' and resid 319 through 323 Processing helix chain 'l' and resid 346 through 369 Processing helix chain 'l' and resid 379 through 387 removed outlier: 3.705A pdb=" N VAL l 385 " --> pdb=" O ASN l 381 " (cutoff:3.500A) Processing helix chain 'l' and resid 418 through 420 No H-bonds generated for 'chain 'l' and resid 418 through 420' Processing helix chain 'l' and resid 502 through 507 Processing helix chain 'm' and resid 75 through 80 Processing helix chain 'm' and resid 151 through 160 removed outlier: 3.565A pdb=" N SER m 155 " --> pdb=" O ALA m 152 " (cutoff:3.500A) removed outlier: 6.696A pdb=" N GLN m 157 " --> pdb=" O PHE m 154 " (cutoff:3.500A) removed outlier: 6.569A pdb=" N GLY m 158 " --> pdb=" O SER m 155 " (cutoff:3.500A) Processing helix chain 'm' and resid 204 through 218 Processing helix chain 'm' and resid 230 through 238 removed outlier: 4.244A pdb=" N GLU m 234 " --> pdb=" O THR m 230 " (cutoff:3.500A) Processing helix chain 'm' and resid 271 through 283 Processing helix chain 'm' and resid 287 through 313 removed outlier: 3.917A pdb=" N ILE m 293 " --> pdb=" O GLU m 289 " (cutoff:3.500A) Processing helix chain 'm' and resid 319 through 323 Processing helix chain 'm' and resid 345 through 350 Processing helix chain 'm' and resid 350 through 369 removed outlier: 3.588A pdb=" N LEU m 354 " --> pdb=" O PHE m 350 " (cutoff:3.500A) Processing helix chain 'm' and resid 379 through 388 Processing helix chain 'm' and resid 418 through 420 No H-bonds generated for 'chain 'm' and resid 418 through 420' Processing helix chain 'm' and resid 442 through 446 Processing helix chain 'm' and resid 492 through 496 removed outlier: 3.511A pdb=" N ILE m 496 " --> pdb=" O ALA m 493 " (cutoff:3.500A) Processing helix chain 'n' and resid 75 through 82 Processing helix chain 'n' and resid 156 through 161 removed outlier: 3.567A pdb=" N ALA n 160 " --> pdb=" O GLY n 156 " (cutoff:3.500A) Processing helix chain 'n' and resid 204 through 218 Processing helix chain 'n' and resid 229 through 234 Processing helix chain 'n' and resid 238 through 242 removed outlier: 3.865A pdb=" N GLY n 241 " --> pdb=" O GLY n 238 " (cutoff:3.500A) Processing helix chain 'n' and resid 271 through 282 Processing helix chain 'n' and resid 287 through 313 Processing helix chain 'n' and resid 319 through 323 Processing helix chain 'n' and resid 345 through 350 Processing helix chain 'n' and resid 350 through 369 removed outlier: 3.519A pdb=" N LEU n 354 " --> pdb=" O PHE n 350 " (cutoff:3.500A) Processing helix chain 'n' and resid 379 through 387 Processing helix chain 'n' and resid 418 through 420 No H-bonds generated for 'chain 'n' and resid 418 through 420' Processing helix chain 'n' and resid 492 through 494 No H-bonds generated for 'chain 'n' and resid 492 through 494' Processing helix chain 'o' and resid 75 through 80 Processing helix chain 'o' and resid 156 through 161 Processing helix chain 'o' and resid 204 through 219 Processing helix chain 'o' and resid 229 through 234 Processing helix chain 'o' and resid 238 through 242 Processing helix chain 'o' and resid 271 through 283 Processing helix chain 'o' and resid 287 through 313 removed outlier: 3.513A pdb=" N SER o 291 " --> pdb=" O ASP o 287 " (cutoff:3.500A) Processing helix chain 'o' and resid 319 through 323 Processing helix chain 'o' and resid 349 through 369 removed outlier: 4.144A pdb=" N LEU o 353 " --> pdb=" O SER o 349 " (cutoff:3.500A) Processing helix chain 'o' and resid 379 through 388 Processing helix chain 'o' and resid 418 through 420 No H-bonds generated for 'chain 'o' and resid 418 through 420' Processing helix chain 'o' and resid 442 through 446 Processing helix chain 'o' and resid 492 through 494 No H-bonds generated for 'chain 'o' and resid 492 through 494' Processing helix chain 'p' and resid 75 through 82 Processing helix chain 'p' and resid 204 through 218 Processing helix chain 'p' and resid 229 through 234 Processing helix chain 'p' and resid 238 through 242 removed outlier: 3.546A pdb=" N GLY p 241 " --> pdb=" O GLY p 238 " (cutoff:3.500A) Processing helix chain 'p' and resid 271 through 282 Processing helix chain 'p' and resid 287 through 313 Processing helix chain 'p' and resid 319 through 323 Processing helix chain 'p' and resid 336 through 341 removed outlier: 3.867A pdb=" N ARG p 341 " --> pdb=" O ILE p 338 " (cutoff:3.500A) Processing helix chain 'p' and resid 345 through 350 Processing helix chain 'p' and resid 350 through 369 removed outlier: 4.032A pdb=" N LEU p 354 " --> pdb=" O PHE p 350 " (cutoff:3.500A) Processing helix chain 'p' and resid 379 through 389 removed outlier: 3.654A pdb=" N VAL p 389 " --> pdb=" O VAL p 385 " (cutoff:3.500A) Processing helix chain 'p' and resid 418 through 420 No H-bonds generated for 'chain 'p' and resid 418 through 420' Processing helix chain 'p' and resid 492 through 494 No H-bonds generated for 'chain 'p' and resid 492 through 494' Processing helix chain 'q' and resid 108 through 112 removed outlier: 3.588A pdb=" N ILE q 111 " --> pdb=" O ALA q 108 " (cutoff:3.500A) Processing helix chain 'q' and resid 156 through 160 Processing helix chain 'q' and resid 204 through 218 Processing helix chain 'q' and resid 229 through 234 Processing helix chain 'q' and resid 238 through 242 Processing helix chain 'q' and resid 271 through 283 Processing helix chain 'q' and resid 287 through 313 Processing helix chain 'q' and resid 319 through 323 Processing helix chain 'q' and resid 345 through 350 Processing helix chain 'q' and resid 350 through 367 removed outlier: 3.626A pdb=" N LEU q 354 " --> pdb=" O PHE q 350 " (cutoff:3.500A) Processing helix chain 'q' and resid 379 through 387 removed outlier: 3.779A pdb=" N VAL q 385 " --> pdb=" O ASN q 381 " (cutoff:3.500A) Processing helix chain 'q' and resid 418 through 420 No H-bonds generated for 'chain 'q' and resid 418 through 420' Processing helix chain 'q' and resid 492 through 494 No H-bonds generated for 'chain 'q' and resid 492 through 494' Processing helix chain 'q' and resid 502 through 507 Processing helix chain 'r' and resid 75 through 81 Processing helix chain 'r' and resid 156 through 161 removed outlier: 3.659A pdb=" N ALA r 160 " --> pdb=" O GLY r 156 " (cutoff:3.500A) Processing helix chain 'r' and resid 204 through 218 Processing helix chain 'r' and resid 230 through 234 Processing helix chain 'r' and resid 238 through 242 removed outlier: 3.736A pdb=" N GLY r 241 " --> pdb=" O GLY r 238 " (cutoff:3.500A) Processing helix chain 'r' and resid 272 through 283 Processing helix chain 'r' and resid 286 through 313 Processing helix chain 'r' and resid 319 through 323 Processing helix chain 'r' and resid 336 through 341 Processing helix chain 'r' and resid 345 through 369 removed outlier: 5.295A pdb=" N LYS r 351 " --> pdb=" O GLY r 347 " (cutoff:3.500A) removed outlier: 3.649A pdb=" N LEU r 353 " --> pdb=" O SER r 349 " (cutoff:3.500A) Processing helix chain 'r' and resid 379 through 387 Processing helix chain 'r' and resid 418 through 420 No H-bonds generated for 'chain 'r' and resid 418 through 420' Processing helix chain 'r' and resid 492 through 494 No H-bonds generated for 'chain 'r' and resid 492 through 494' Processing helix chain 'r' and resid 502 through 507 Processing helix chain 's' and resid 75 through 80 Processing helix chain 's' and resid 156 through 161 Processing helix chain 's' and resid 204 through 218 Processing helix chain 's' and resid 229 through 237 removed outlier: 4.503A pdb=" N LEU s 235 " --> pdb=" O SER s 231 " (cutoff:3.500A) Processing helix chain 's' and resid 271 through 283 Processing helix chain 's' and resid 287 through 313 Processing helix chain 's' and resid 319 through 323 Processing helix chain 's' and resid 345 through 369 removed outlier: 5.377A pdb=" N LYS s 351 " --> pdb=" O GLY s 347 " (cutoff:3.500A) removed outlier: 4.009A pdb=" N ALA s 352 " --> pdb=" O GLU s 348 " (cutoff:3.500A) removed outlier: 3.962A pdb=" N LEU s 353 " --> pdb=" O SER s 349 " (cutoff:3.500A) Processing helix chain 's' and resid 379 through 388 Processing helix chain 's' and resid 418 through 420 No H-bonds generated for 'chain 's' and resid 418 through 420' Processing helix chain 's' and resid 492 through 496 removed outlier: 3.626A pdb=" N ARG s 495 " --> pdb=" O PRO s 492 " (cutoff:3.500A) Processing helix chain 's' and resid 502 through 507 Processing helix chain 't' and resid 75 through 82 Processing helix chain 't' and resid 156 through 161 Processing helix chain 't' and resid 204 through 218 Processing helix chain 't' and resid 229 through 234 Processing helix chain 't' and resid 238 through 242 removed outlier: 3.907A pdb=" N GLY t 241 " --> pdb=" O GLY t 238 " (cutoff:3.500A) Processing helix chain 't' and resid 271 through 283 Processing helix chain 't' and resid 287 through 313 Processing helix chain 't' and resid 319 through 323 Processing helix chain 't' and resid 345 through 350 Processing helix chain 't' and resid 350 through 369 removed outlier: 3.569A pdb=" N LEU t 354 " --> pdb=" O PHE t 350 " (cutoff:3.500A) Processing helix chain 't' and resid 379 through 388 Processing helix chain 't' and resid 418 through 420 No H-bonds generated for 'chain 't' and resid 418 through 420' Processing helix chain 't' and resid 442 through 446 Processing helix chain 't' and resid 492 through 494 No H-bonds generated for 'chain 't' and resid 492 through 494' Processing helix chain 't' and resid 502 through 507 Processing helix chain 'u' and resid 75 through 81 Processing helix chain 'u' and resid 151 through 155 Processing helix chain 'u' and resid 156 through 161 Processing helix chain 'u' and resid 204 through 218 Processing helix chain 'u' and resid 229 through 234 Processing helix chain 'u' and resid 238 through 242 removed outlier: 4.212A pdb=" N GLY u 241 " --> pdb=" O GLY u 238 " (cutoff:3.500A) Processing helix chain 'u' and resid 271 through 283 Processing helix chain 'u' and resid 287 through 313 Processing helix chain 'u' and resid 319 through 323 Processing helix chain 'u' and resid 349 through 369 removed outlier: 4.115A pdb=" N LEU u 353 " --> pdb=" O SER u 349 " (cutoff:3.500A) removed outlier: 3.571A pdb=" N LEU u 354 " --> pdb=" O PHE u 350 " (cutoff:3.500A) Processing helix chain 'u' and resid 379 through 387 Processing helix chain 'u' and resid 418 through 420 No H-bonds generated for 'chain 'u' and resid 418 through 420' Processing helix chain 'u' and resid 492 through 494 No H-bonds generated for 'chain 'u' and resid 492 through 494' Processing helix chain 'u' and resid 502 through 507 Processing helix chain 'v' and resid 75 through 81 Processing helix chain 'v' and resid 156 through 160 Processing helix chain 'v' and resid 204 through 218 Processing helix chain 'v' and resid 229 through 234 Processing helix chain 'v' and resid 238 through 242 removed outlier: 4.083A pdb=" N GLY v 241 " --> pdb=" O GLY v 238 " (cutoff:3.500A) Processing helix chain 'v' and resid 271 through 283 Processing helix chain 'v' and resid 287 through 313 Processing helix chain 'v' and resid 319 through 323 Processing helix chain 'v' and resid 345 through 350 Processing helix chain 'v' and resid 350 through 369 removed outlier: 3.654A pdb=" N LEU v 354 " --> pdb=" O PHE v 350 " (cutoff:3.500A) Processing helix chain 'v' and resid 379 through 388 Processing helix chain 'v' and resid 418 through 420 No H-bonds generated for 'chain 'v' and resid 418 through 420' Processing helix chain 'v' and resid 502 through 507 Processing helix chain 'w' and resid 156 through 161 Processing helix chain 'w' and resid 204 through 218 Processing helix chain 'w' and resid 229 through 234 Processing helix chain 'w' and resid 238 through 242 Processing helix chain 'w' and resid 271 through 282 Processing helix chain 'w' and resid 286 through 313 Processing helix chain 'w' and resid 319 through 323 Processing helix chain 'w' and resid 345 through 350 Processing helix chain 'w' and resid 350 through 369 removed outlier: 3.551A pdb=" N LEU w 354 " --> pdb=" O PHE w 350 " (cutoff:3.500A) Processing helix chain 'w' and resid 379 through 387 Processing helix chain 'w' and resid 418 through 420 No H-bonds generated for 'chain 'w' and resid 418 through 420' Processing helix chain 'w' and resid 492 through 494 No H-bonds generated for 'chain 'w' and resid 492 through 494' Processing helix chain 'w' and resid 502 through 507 Processing helix chain 'x' and resid 75 through 82 Processing helix chain 'x' and resid 156 through 160 Processing helix chain 'x' and resid 204 through 218 Processing helix chain 'x' and resid 229 through 234 Processing helix chain 'x' and resid 238 through 242 removed outlier: 3.681A pdb=" N GLY x 241 " --> pdb=" O GLY x 238 " (cutoff:3.500A) Processing helix chain 'x' and resid 271 through 283 Processing helix chain 'x' and resid 287 through 313 Processing helix chain 'x' and resid 319 through 323 Processing helix chain 'x' and resid 336 through 341 Processing helix chain 'x' and resid 345 through 350 Processing helix chain 'x' and resid 350 through 369 Processing helix chain 'x' and resid 379 through 389 Processing helix chain 'x' and resid 418 through 420 No H-bonds generated for 'chain 'x' and resid 418 through 420' Processing helix chain 'x' and resid 492 through 494 No H-bonds generated for 'chain 'x' and resid 492 through 494' Processing helix chain 'x' and resid 502 through 507 Processing helix chain 'y' and resid 75 through 81 Processing helix chain 'y' and resid 156 through 160 Processing helix chain 'y' and resid 204 through 218 removed outlier: 4.642A pdb=" N ALA y 210 " --> pdb=" O ALA y 206 " (cutoff:3.500A) Processing helix chain 'y' and resid 229 through 231 No H-bonds generated for 'chain 'y' and resid 229 through 231' Processing helix chain 'y' and resid 232 through 237 Processing helix chain 'y' and resid 271 through 282 removed outlier: 3.551A pdb=" N ARG y 279 " --> pdb=" O ALA y 275 " (cutoff:3.500A) removed outlier: 4.035A pdb=" N ALA y 280 " --> pdb=" O GLN y 276 " (cutoff:3.500A) Processing helix chain 'y' and resid 287 through 313 Processing helix chain 'y' and resid 319 through 323 Processing helix chain 'y' and resid 345 through 350 Processing helix chain 'y' and resid 350 through 369 removed outlier: 3.579A pdb=" N LEU y 354 " --> pdb=" O PHE y 350 " (cutoff:3.500A) Processing helix chain 'y' and resid 379 through 388 Processing helix chain 'y' and resid 418 through 420 No H-bonds generated for 'chain 'y' and resid 418 through 420' Processing helix chain 'y' and resid 502 through 507 Processing helix chain 'z' and resid 75 through 80 Processing helix chain 'z' and resid 156 through 161 Processing helix chain 'z' and resid 204 through 218 Processing helix chain 'z' and resid 229 through 234 Processing helix chain 'z' and resid 238 through 242 Processing helix chain 'z' and resid 271 through 282 Processing helix chain 'z' and resid 287 through 313 Processing helix chain 'z' and resid 319 through 323 Processing helix chain 'z' and resid 345 through 369 removed outlier: 5.200A pdb=" N LYS z 351 " --> pdb=" O GLY z 347 " (cutoff:3.500A) removed outlier: 3.780A pdb=" N LEU z 353 " --> pdb=" O SER z 349 " (cutoff:3.500A) removed outlier: 3.896A pdb=" N LEU z 354 " --> pdb=" O PHE z 350 " (cutoff:3.500A) Processing helix chain 'z' and resid 379 through 387 Processing helix chain 'z' and resid 418 through 420 No H-bonds generated for 'chain 'z' and resid 418 through 420' Processing helix chain 'z' and resid 492 through 494 No H-bonds generated for 'chain 'z' and resid 492 through 494' Processing helix chain 'z' and resid 502 through 507 Processing helix chain 'A' and resid 75 through 82 Processing helix chain 'A' and resid 107 through 112 removed outlier: 4.083A pdb=" N ILE A 111 " --> pdb=" O ALA A 108 " (cutoff:3.500A) Processing helix chain 'A' and resid 156 through 161 Processing helix chain 'A' and resid 204 through 218 Processing helix chain 'A' and resid 230 through 234 Processing helix chain 'A' and resid 238 through 242 Processing helix chain 'A' and resid 271 through 283 Processing helix chain 'A' and resid 287 through 313 Processing helix chain 'A' and resid 319 through 323 Processing helix chain 'A' and resid 348 through 369 Processing helix chain 'A' and resid 379 through 388 Processing helix chain 'A' and resid 418 through 420 No H-bonds generated for 'chain 'A' and resid 418 through 420' Processing helix chain 'A' and resid 442 through 446 Processing helix chain 'A' and resid 492 through 494 No H-bonds generated for 'chain 'A' and resid 492 through 494' Processing helix chain 'A' and resid 502 through 507 Processing helix chain 'B' and resid 75 through 81 Processing helix chain 'B' and resid 156 through 161 removed outlier: 3.530A pdb=" N ALA B 160 " --> pdb=" O GLY B 156 " (cutoff:3.500A) Processing helix chain 'B' and resid 204 through 219 Processing helix chain 'B' and resid 229 through 234 Processing helix chain 'B' and resid 238 through 242 removed outlier: 4.207A pdb=" N GLY B 241 " --> pdb=" O GLY B 238 " (cutoff:3.500A) Processing helix chain 'B' and resid 271 through 282 removed outlier: 4.092A pdb=" N ALA B 275 " --> pdb=" O SER B 271 " (cutoff:3.500A) removed outlier: 3.800A pdb=" N ALA B 280 " --> pdb=" O GLN B 276 " (cutoff:3.500A) Processing helix chain 'B' and resid 287 through 313 Processing helix chain 'B' and resid 319 through 323 Processing helix chain 'B' and resid 336 through 341 Processing helix chain 'B' and resid 345 through 350 Processing helix chain 'B' and resid 351 through 369 Processing helix chain 'B' and resid 380 through 388 removed outlier: 4.246A pdb=" N LEU B 386 " --> pdb=" O VAL B 382 " (cutoff:3.500A) Processing helix chain 'B' and resid 418 through 420 No H-bonds generated for 'chain 'B' and resid 418 through 420' Processing helix chain 'B' and resid 492 through 494 No H-bonds generated for 'chain 'B' and resid 492 through 494' Processing helix chain 'C' and resid 156 through 161 Processing helix chain 'C' and resid 204 through 218 Processing helix chain 'C' and resid 229 through 234 Processing helix chain 'C' and resid 238 through 242 removed outlier: 3.901A pdb=" N GLY C 241 " --> pdb=" O GLY C 238 " (cutoff:3.500A) Processing helix chain 'C' and resid 271 through 282 Processing helix chain 'C' and resid 286 through 313 Processing helix chain 'C' and resid 319 through 323 Processing helix chain 'C' and resid 345 through 369 removed outlier: 4.908A pdb=" N LYS C 351 " --> pdb=" O GLY C 347 " (cutoff:3.500A) Processing helix chain 'C' and resid 379 through 388 Processing helix chain 'C' and resid 418 through 420 No H-bonds generated for 'chain 'C' and resid 418 through 420' Processing helix chain 'C' and resid 492 through 494 No H-bonds generated for 'chain 'C' and resid 492 through 494' Processing helix chain 'C' and resid 502 through 507 Processing helix chain 'D' and resid 75 through 82 Processing helix chain 'D' and resid 156 through 160 Processing helix chain 'D' and resid 204 through 219 Processing helix chain 'D' and resid 229 through 234 Processing helix chain 'D' and resid 238 through 242 removed outlier: 3.705A pdb=" N GLY D 241 " --> pdb=" O GLY D 238 " (cutoff:3.500A) Processing helix chain 'D' and resid 271 through 283 removed outlier: 3.542A pdb=" N ALA D 280 " --> pdb=" O GLN D 276 " (cutoff:3.500A) Processing helix chain 'D' and resid 286 through 313 Processing helix chain 'D' and resid 319 through 323 Processing helix chain 'D' and resid 345 through 369 removed outlier: 5.023A pdb=" N LYS D 351 " --> pdb=" O GLY D 347 " (cutoff:3.500A) Processing helix chain 'D' and resid 379 through 389 Processing helix chain 'D' and resid 418 through 420 No H-bonds generated for 'chain 'D' and resid 418 through 420' Processing helix chain 'D' and resid 502 through 507 Processing helix chain 'E' and resid 6 through 8 No H-bonds generated for 'chain 'E' and resid 6 through 8' Processing helix chain 'E' and resid 9 through 25 Processing helix chain 'E' and resid 57 through 66 removed outlier: 3.563A pdb=" N GLY E 63 " --> pdb=" O GLN E 59 " (cutoff:3.500A) Processing helix chain 'E' and resid 68 through 84 removed outlier: 3.536A pdb=" N THR E 72 " --> pdb=" O GLY E 68 " (cutoff:3.500A) Processing helix chain 'E' and resid 88 through 100 Processing helix chain 'E' and resid 119 through 138 Processing helix chain 'E' and resid 138 through 153 removed outlier: 7.506A pdb=" N SER E 144 " --> pdb=" O GLN E 140 " (cutoff:3.500A) removed outlier: 6.370A pdb=" N ASP E 145 " --> pdb=" O ARG E 141 " (cutoff:3.500A) Processing helix chain 'E' and resid 166 through 170 Processing helix chain 'E' and resid 252 through 256 removed outlier: 3.624A pdb=" N ARG E 256 " --> pdb=" O TYR E 253 " (cutoff:3.500A) Processing helix chain 'E' and resid 257 through 277 Processing helix chain 'E' and resid 293 through 309 removed outlier: 5.150A pdb=" N GLU E 299 " --> pdb=" O ARG E 295 " (cutoff:3.500A) removed outlier: 3.682A pdb=" N HIS E 300 " --> pdb=" O LYS E 296 " (cutoff:3.500A) Processing helix chain 'E' and resid 360 through 373 Processing helix chain 'E' and resid 397 through 415 Processing helix chain 'E' and resid 416 through 418 No H-bonds generated for 'chain 'E' and resid 416 through 418' Processing helix chain 'E' and resid 419 through 429 Processing helix chain 'E' and resid 433 through 441 Processing helix chain 'E' and resid 451 through 474 removed outlier: 4.799A pdb=" N ILE E 462 " --> pdb=" O LYS E 458 " (cutoff:3.500A) removed outlier: 3.634A pdb=" N LEU E 463 " --> pdb=" O GLU E 459 " (cutoff:3.500A) removed outlier: 6.146A pdb=" N ARG E 465 " --> pdb=" O GLU E 461 " (cutoff:3.500A) Processing helix chain 'E' and resid 475 through 477 No H-bonds generated for 'chain 'E' and resid 475 through 477' Processing helix chain 'E' and resid 482 through 490 Processing helix chain 'E' and resid 494 through 509 Processing helix chain 'F' and resid 6 through 8 No H-bonds generated for 'chain 'F' and resid 6 through 8' Processing helix chain 'F' and resid 9 through 24 Processing helix chain 'F' and resid 53 through 66 Processing helix chain 'F' and resid 68 through 84 Processing helix chain 'F' and resid 88 through 100 Processing helix chain 'F' and resid 120 through 136 Processing helix chain 'F' and resid 138 through 154 removed outlier: 7.449A pdb=" N SER F 144 " --> pdb=" O GLN F 140 " (cutoff:3.500A) removed outlier: 6.023A pdb=" N ASP F 145 " --> pdb=" O ARG F 141 " (cutoff:3.500A) Processing helix chain 'F' and resid 166 through 170 Processing helix chain 'F' and resid 178 through 180 No H-bonds generated for 'chain 'F' and resid 178 through 180' Processing helix chain 'F' and resid 254 through 256 No H-bonds generated for 'chain 'F' and resid 254 through 256' Processing helix chain 'F' and resid 257 through 277 Processing helix chain 'F' and resid 293 through 306 removed outlier: 5.515A pdb=" N GLU F 299 " --> pdb=" O ARG F 295 " (cutoff:3.500A) removed outlier: 4.167A pdb=" N HIS F 300 " --> pdb=" O LYS F 296 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N VAL F 304 " --> pdb=" O HIS F 300 " (cutoff:3.500A) Processing helix chain 'F' and resid 360 through 373 Processing helix chain 'F' and resid 397 through 415 removed outlier: 3.518A pdb=" N LYS F 413 " --> pdb=" O GLU F 409 " (cutoff:3.500A) Processing helix chain 'F' and resid 415 through 429 Proline residue: F 421 - end of helix Processing helix chain 'F' and resid 433 through 441 Processing helix chain 'F' and resid 451 through 481 Proline residue: F 475 - end of helix removed outlier: 4.250A pdb=" N GLY F 478 " --> pdb=" O GLU F 474 " (cutoff:3.500A) removed outlier: 6.003A pdb=" N LYS F 479 " --> pdb=" O PRO F 475 " (cutoff:3.500A) Processing helix chain 'F' and resid 482 through 490 Processing helix chain 'F' and resid 494 through 509 removed outlier: 3.693A pdb=" N SER F 509 " --> pdb=" O ILE F 505 " (cutoff:3.500A) Processing helix chain 'G' and resid 6 through 8 No H-bonds generated for 'chain 'G' and resid 6 through 8' Processing helix chain 'G' and resid 9 through 25 Processing helix chain 'G' and resid 53 through 66 removed outlier: 3.976A pdb=" N GLN G 59 " --> pdb=" O ASN G 55 " (cutoff:3.500A) Processing helix chain 'G' and resid 68 through 83 Processing helix chain 'G' and resid 88 through 100 Processing helix chain 'G' and resid 119 through 136 Processing helix chain 'G' and resid 138 through 154 removed outlier: 7.395A pdb=" N SER G 144 " --> pdb=" O GLN G 140 " (cutoff:3.500A) removed outlier: 6.343A pdb=" N ASP G 145 " --> pdb=" O ARG G 141 " (cutoff:3.500A) Processing helix chain 'G' and resid 231 through 233 No H-bonds generated for 'chain 'G' and resid 231 through 233' Processing helix chain 'G' and resid 252 through 256 Processing helix chain 'G' and resid 257 through 277 removed outlier: 3.773A pdb=" N ASN G 262 " --> pdb=" O VAL G 258 " (cutoff:3.500A) Processing helix chain 'G' and resid 293 through 298 Processing helix chain 'G' and resid 298 through 306 removed outlier: 4.361A pdb=" N VAL G 304 " --> pdb=" O HIS G 300 " (cutoff:3.500A) Processing helix chain 'G' and resid 360 through 373 Processing helix chain 'G' and resid 397 through 415 Processing helix chain 'G' and resid 416 through 418 No H-bonds generated for 'chain 'G' and resid 416 through 418' Processing helix chain 'G' and resid 419 through 430 Processing helix chain 'G' and resid 433 through 441 Processing helix chain 'G' and resid 451 through 474 Processing helix chain 'G' and resid 475 through 477 No H-bonds generated for 'chain 'G' and resid 475 through 477' Processing helix chain 'G' and resid 482 through 490 Processing helix chain 'G' and resid 494 through 509 Processing helix chain 'H' and resid 9 through 25 removed outlier: 4.370A pdb=" N MET H 15 " --> pdb=" O PRO H 11 " (cutoff:3.500A) Processing helix chain 'H' and resid 47 through 51 Processing helix chain 'H' and resid 52 through 66 Processing helix chain 'H' and resid 69 through 84 Processing helix chain 'H' and resid 88 through 100 Processing helix chain 'H' and resid 119 through 137 Processing helix chain 'H' and resid 138 through 154 removed outlier: 7.203A pdb=" N SER H 144 " --> pdb=" O GLN H 140 " (cutoff:3.500A) removed outlier: 6.104A pdb=" N ASP H 145 " --> pdb=" O ARG H 141 " (cutoff:3.500A) Processing helix chain 'H' and resid 166 through 170 Processing helix chain 'H' and resid 252 through 256 Processing helix chain 'H' and resid 257 through 277 Processing helix chain 'H' and resid 293 through 309 removed outlier: 5.424A pdb=" N GLU H 299 " --> pdb=" O ARG H 295 " (cutoff:3.500A) removed outlier: 4.221A pdb=" N HIS H 300 " --> pdb=" O LYS H 296 " (cutoff:3.500A) removed outlier: 3.520A pdb=" N MET H 301 " --> pdb=" O ALA H 297 " (cutoff:3.500A) removed outlier: 3.744A pdb=" N VAL H 304 " --> pdb=" O HIS H 300 " (cutoff:3.500A) removed outlier: 4.805A pdb=" N THR H 307 " --> pdb=" O HIS H 303 " (cutoff:3.500A) removed outlier: 3.629A pdb=" N LYS H 309 " --> pdb=" O MET H 305 " (cutoff:3.500A) Processing helix chain 'H' and resid 360 through 373 removed outlier: 3.559A pdb=" N TRP H 364 " --> pdb=" O GLU H 360 " (cutoff:3.500A) Processing helix chain 'H' and resid 397 through 415 Processing helix chain 'H' and resid 415 through 430 Proline residue: H 421 - end of helix Processing helix chain 'H' and resid 433 through 441 Processing helix chain 'H' and resid 451 through 474 Processing helix chain 'H' and resid 475 through 477 No H-bonds generated for 'chain 'H' and resid 475 through 477' Processing helix chain 'H' and resid 482 through 490 Processing helix chain 'H' and resid 494 through 509 Processing helix chain 'I' and resid 6 through 8 No H-bonds generated for 'chain 'I' and resid 6 through 8' Processing helix chain 'I' and resid 9 through 25 Processing helix chain 'I' and resid 54 through 66 Processing helix chain 'I' and resid 69 through 84 Processing helix chain 'I' and resid 87 through 100 Processing helix chain 'I' and resid 121 through 136 Processing helix chain 'I' and resid 138 through 154 removed outlier: 7.137A pdb=" N SER I 144 " --> pdb=" O GLN I 140 " (cutoff:3.500A) removed outlier: 5.882A pdb=" N ASP I 145 " --> pdb=" O ARG I 141 " (cutoff:3.500A) Processing helix chain 'I' and resid 166 through 170 Processing helix chain 'I' and resid 257 through 277 Processing helix chain 'I' and resid 293 through 309 removed outlier: 5.460A pdb=" N GLU I 299 " --> pdb=" O ARG I 295 " (cutoff:3.500A) removed outlier: 4.521A pdb=" N HIS I 300 " --> pdb=" O LYS I 296 " (cutoff:3.500A) removed outlier: 4.469A pdb=" N MET I 301 " --> pdb=" O ALA I 297 " (cutoff:3.500A) Processing helix chain 'I' and resid 360 through 373 removed outlier: 3.985A pdb=" N TRP I 364 " --> pdb=" O GLU I 360 " (cutoff:3.500A) Processing helix chain 'I' and resid 397 through 416 removed outlier: 4.089A pdb=" N GLU I 416 " --> pdb=" O HIS I 412 " (cutoff:3.500A) Processing helix chain 'I' and resid 419 through 430 Processing helix chain 'I' and resid 433 through 441 Processing helix chain 'I' and resid 451 through 474 Processing helix chain 'I' and resid 475 through 477 No H-bonds generated for 'chain 'I' and resid 475 through 477' Processing helix chain 'I' and resid 482 through 490 Processing helix chain 'I' and resid 494 through 509 Processing helix chain 'J' and resid 6 through 8 No H-bonds generated for 'chain 'J' and resid 6 through 8' Processing helix chain 'J' and resid 9 through 25 Processing helix chain 'J' and resid 46 through 51 Processing helix chain 'J' and resid 54 through 64 Processing helix chain 'J' and resid 68 through 85 Processing helix chain 'J' and resid 88 through 100 Processing helix chain 'J' and resid 119 through 137 Processing helix chain 'J' and resid 138 through 154 removed outlier: 7.285A pdb=" N SER J 144 " --> pdb=" O GLN J 140 " (cutoff:3.500A) removed outlier: 5.965A pdb=" N ASP J 145 " --> pdb=" O ARG J 141 " (cutoff:3.500A) Processing helix chain 'J' and resid 231 through 233 No H-bonds generated for 'chain 'J' and resid 231 through 233' Processing helix chain 'J' and resid 252 through 256 removed outlier: 4.003A pdb=" N ARG J 256 " --> pdb=" O TYR J 253 " (cutoff:3.500A) Processing helix chain 'J' and resid 257 through 277 removed outlier: 3.816A pdb=" N ASN J 262 " --> pdb=" O VAL J 258 " (cutoff:3.500A) Processing helix chain 'J' and resid 296 through 309 removed outlier: 4.108A pdb=" N HIS J 300 " --> pdb=" O LYS J 296 " (cutoff:3.500A) removed outlier: 3.564A pdb=" N VAL J 304 " --> pdb=" O HIS J 300 " (cutoff:3.500A) removed outlier: 5.215A pdb=" N THR J 307 " --> pdb=" O HIS J 303 " (cutoff:3.500A) Processing helix chain 'J' and resid 360 through 373 Processing helix chain 'J' and resid 397 through 415 removed outlier: 3.519A pdb=" N LYS J 413 " --> pdb=" O GLU J 409 " (cutoff:3.500A) Processing helix chain 'J' and resid 415 through 430 Proline residue: J 421 - end of helix Processing helix chain 'J' and resid 433 through 441 Processing helix chain 'J' and resid 451 through 474 Processing helix chain 'J' and resid 475 through 477 No H-bonds generated for 'chain 'J' and resid 475 through 477' Processing helix chain 'J' and resid 482 through 490 Processing helix chain 'J' and resid 494 through 509 Processing helix chain 'K' and resid 9 through 26 removed outlier: 4.331A pdb=" N MET K 15 " --> pdb=" O PRO K 11 " (cutoff:3.500A) removed outlier: 3.514A pdb=" N ASP K 16 " --> pdb=" O TRP K 12 " (cutoff:3.500A) Processing helix chain 'K' and resid 54 through 63 removed outlier: 3.729A pdb=" N PHE K 58 " --> pdb=" O TYR K 54 " (cutoff:3.500A) Processing helix chain 'K' and resid 68 through 84 Processing helix chain 'K' and resid 87 through 100 Processing helix chain 'K' and resid 119 through 137 Processing helix chain 'K' and resid 138 through 154 removed outlier: 7.457A pdb=" N SER K 144 " --> pdb=" O GLN K 140 " (cutoff:3.500A) removed outlier: 5.969A pdb=" N ASP K 145 " --> pdb=" O ARG K 141 " (cutoff:3.500A) Processing helix chain 'K' and resid 166 through 170 Processing helix chain 'K' and resid 231 through 233 No H-bonds generated for 'chain 'K' and resid 231 through 233' Processing helix chain 'K' and resid 252 through 256 Processing helix chain 'K' and resid 257 through 277 removed outlier: 3.706A pdb=" N ASN K 262 " --> pdb=" O VAL K 258 " (cutoff:3.500A) Processing helix chain 'K' and resid 293 through 306 removed outlier: 5.801A pdb=" N GLU K 299 " --> pdb=" O ARG K 295 " (cutoff:3.500A) removed outlier: 4.528A pdb=" N HIS K 300 " --> pdb=" O LYS K 296 " (cutoff:3.500A) removed outlier: 3.657A pdb=" N VAL K 304 " --> pdb=" O HIS K 300 " (cutoff:3.500A) Processing helix chain 'K' and resid 360 through 373 Processing helix chain 'K' and resid 397 through 415 Processing helix chain 'K' and resid 415 through 429 Proline residue: K 421 - end of helix Processing helix chain 'K' and resid 433 through 441 Processing helix chain 'K' and resid 451 through 474 Processing helix chain 'K' and resid 475 through 477 No H-bonds generated for 'chain 'K' and resid 475 through 477' Processing helix chain 'K' and resid 482 through 490 Processing helix chain 'K' and resid 494 through 509 Processing helix chain 'L' and resid 6 through 8 No H-bonds generated for 'chain 'L' and resid 6 through 8' Processing helix chain 'L' and resid 9 through 26 Processing helix chain 'L' and resid 57 through 84 removed outlier: 5.074A pdb=" N GLY L 63 " --> pdb=" O GLN L 59 " (cutoff:3.500A) Proline residue: L 67 - end of helix Processing helix chain 'L' and resid 87 through 100 Processing helix chain 'L' and resid 119 through 136 removed outlier: 4.181A pdb=" N ASP L 132 " --> pdb=" O ASP L 128 " (cutoff:3.500A) Processing helix chain 'L' and resid 138 through 154 removed outlier: 7.117A pdb=" N SER L 144 " --> pdb=" O GLN L 140 " (cutoff:3.500A) removed outlier: 5.751A pdb=" N ASP L 145 " --> pdb=" O ARG L 141 " (cutoff:3.500A) Processing helix chain 'L' and resid 231 through 233 No H-bonds generated for 'chain 'L' and resid 231 through 233' Processing helix chain 'L' and resid 252 through 258 removed outlier: 4.150A pdb=" N ARG L 256 " --> pdb=" O TYR L 253 " (cutoff:3.500A) Processing helix chain 'L' and resid 259 through 277 Processing helix chain 'L' and resid 293 through 305 removed outlier: 4.071A pdb=" N ALA L 298 " --> pdb=" O ALA L 294 " (cutoff:3.500A) removed outlier: 5.391A pdb=" N GLU L 299 " --> pdb=" O ARG L 295 " (cutoff:3.500A) removed outlier: 3.857A pdb=" N HIS L 300 " --> pdb=" O LYS L 296 " (cutoff:3.500A) removed outlier: 3.526A pdb=" N MET L 301 " --> pdb=" O ALA L 297 " (cutoff:3.500A) Processing helix chain 'L' and resid 360 through 373 Processing helix chain 'L' and resid 397 through 415 Processing helix chain 'L' and resid 415 through 429 Proline residue: L 421 - end of helix Processing helix chain 'L' and resid 433 through 441 Processing helix chain 'L' and resid 451 through 474 Processing helix chain 'L' and resid 475 through 477 No H-bonds generated for 'chain 'L' and resid 475 through 477' Processing helix chain 'L' and resid 482 through 490 Processing helix chain 'L' and resid 494 through 509 Processing helix chain 'M' and resid 9 through 25 removed outlier: 4.863A pdb=" N MET M 15 " --> pdb=" O PRO M 11 " (cutoff:3.500A) Processing helix chain 'M' and resid 53 through 84 removed outlier: 4.120A pdb=" N SER M 64 " --> pdb=" O THR M 60 " (cutoff:3.500A) removed outlier: 3.805A pdb=" N TYR M 65 " --> pdb=" O ILE M 61 " (cutoff:3.500A) Proline residue: M 67 - end of helix Processing helix chain 'M' and resid 88 through 100 Processing helix chain 'M' and resid 119 through 138 Processing helix chain 'M' and resid 138 through 154 removed outlier: 7.401A pdb=" N SER M 144 " --> pdb=" O GLN M 140 " (cutoff:3.500A) removed outlier: 6.005A pdb=" N ASP M 145 " --> pdb=" O ARG M 141 " (cutoff:3.500A) Processing helix chain 'M' and resid 231 through 233 No H-bonds generated for 'chain 'M' and resid 231 through 233' Processing helix chain 'M' and resid 254 through 256 No H-bonds generated for 'chain 'M' and resid 254 through 256' Processing helix chain 'M' and resid 257 through 277 Processing helix chain 'M' and resid 293 through 309 removed outlier: 5.206A pdb=" N GLU M 299 " --> pdb=" O ARG M 295 " (cutoff:3.500A) removed outlier: 3.967A pdb=" N HIS M 300 " --> pdb=" O LYS M 296 " (cutoff:3.500A) removed outlier: 3.840A pdb=" N VAL M 304 " --> pdb=" O HIS M 300 " (cutoff:3.500A) removed outlier: 4.661A pdb=" N THR M 307 " --> pdb=" O HIS M 303 " (cutoff:3.500A) Processing helix chain 'M' and resid 360 through 373 Processing helix chain 'M' and resid 397 through 415 Processing helix chain 'M' and resid 415 through 429 Proline residue: M 421 - end of helix Processing helix chain 'M' and resid 433 through 441 Processing helix chain 'M' and resid 451 through 474 Processing helix chain 'M' and resid 475 through 477 No H-bonds generated for 'chain 'M' and resid 475 through 477' Processing helix chain 'M' and resid 482 through 490 Processing helix chain 'M' and resid 494 through 510 removed outlier: 3.669A pdb=" N LYS M 510 " --> pdb=" O GLU M 506 " (cutoff:3.500A) Processing helix chain 'N' and resid 6 through 8 No H-bonds generated for 'chain 'N' and resid 6 through 8' Processing helix chain 'N' and resid 9 through 26 Processing helix chain 'N' and resid 54 through 66 Processing helix chain 'N' and resid 68 through 84 removed outlier: 3.532A pdb=" N GLU N 74 " --> pdb=" O LYS N 70 " (cutoff:3.500A) Processing helix chain 'N' and resid 87 through 100 Processing helix chain 'N' and resid 119 through 137 Processing helix chain 'N' and resid 138 through 154 removed outlier: 7.294A pdb=" N SER N 144 " --> pdb=" O GLN N 140 " (cutoff:3.500A) removed outlier: 5.629A pdb=" N ASP N 145 " --> pdb=" O ARG N 141 " (cutoff:3.500A) Processing helix chain 'N' and resid 166 through 170 Processing helix chain 'N' and resid 231 through 233 No H-bonds generated for 'chain 'N' and resid 231 through 233' Processing helix chain 'N' and resid 254 through 256 No H-bonds generated for 'chain 'N' and resid 254 through 256' Processing helix chain 'N' and resid 257 through 277 Processing helix chain 'N' and resid 293 through 306 removed outlier: 4.886A pdb=" N GLU N 299 " --> pdb=" O ARG N 295 " (cutoff:3.500A) removed outlier: 3.994A pdb=" N HIS N 300 " --> pdb=" O LYS N 296 " (cutoff:3.500A) removed outlier: 3.623A pdb=" N MET N 301 " --> pdb=" O ALA N 297 " (cutoff:3.500A) removed outlier: 3.841A pdb=" N VAL N 304 " --> pdb=" O HIS N 300 " (cutoff:3.500A) Processing helix chain 'N' and resid 360 through 373 Processing helix chain 'N' and resid 397 through 415 Processing helix chain 'N' and resid 415 through 430 Proline residue: N 421 - end of helix Processing helix chain 'N' and resid 433 through 441 Processing helix chain 'N' and resid 451 through 474 Processing helix chain 'N' and resid 475 through 477 No H-bonds generated for 'chain 'N' and resid 475 through 477' Processing helix chain 'N' and resid 482 through 490 Processing helix chain 'N' and resid 494 through 510 Processing helix chain 'O' and resid 6 through 8 No H-bonds generated for 'chain 'O' and resid 6 through 8' Processing helix chain 'O' and resid 9 through 25 Processing helix chain 'O' and resid 53 through 64 removed outlier: 3.577A pdb=" N ALA O 57 " --> pdb=" O PRO O 53 " (cutoff:3.500A) Processing helix chain 'O' and resid 66 through 84 Processing helix chain 'O' and resid 87 through 100 Processing helix chain 'O' and resid 119 through 137 Processing helix chain 'O' and resid 138 through 154 removed outlier: 7.477A pdb=" N SER O 144 " --> pdb=" O GLN O 140 " (cutoff:3.500A) removed outlier: 6.110A pdb=" N ASP O 145 " --> pdb=" O ARG O 141 " (cutoff:3.500A) Processing helix chain 'O' and resid 231 through 233 No H-bonds generated for 'chain 'O' and resid 231 through 233' Processing helix chain 'O' and resid 254 through 256 No H-bonds generated for 'chain 'O' and resid 254 through 256' Processing helix chain 'O' and resid 257 through 277 Processing helix chain 'O' and resid 293 through 306 removed outlier: 5.193A pdb=" N GLU O 299 " --> pdb=" O ARG O 295 " (cutoff:3.500A) removed outlier: 4.012A pdb=" N VAL O 304 " --> pdb=" O HIS O 300 " (cutoff:3.500A) Processing helix chain 'O' and resid 360 through 373 Processing helix chain 'O' and resid 397 through 415 Processing helix chain 'O' and resid 415 through 430 Proline residue: O 421 - end of helix Processing helix chain 'O' and resid 433 through 441 Processing helix chain 'O' and resid 451 through 474 Processing helix chain 'O' and resid 475 through 477 No H-bonds generated for 'chain 'O' and resid 475 through 477' Processing helix chain 'O' and resid 482 through 490 Processing helix chain 'O' and resid 494 through 509 Processing helix chain 'P' and resid 6 through 8 No H-bonds generated for 'chain 'P' and resid 6 through 8' Processing helix chain 'P' and resid 9 through 26 Processing helix chain 'P' and resid 53 through 66 removed outlier: 3.690A pdb=" N ALA P 57 " --> pdb=" O PRO P 53 " (cutoff:3.500A) Processing helix chain 'P' and resid 68 through 84 Processing helix chain 'P' and resid 88 through 100 Processing helix chain 'P' and resid 119 through 137 Processing helix chain 'P' and resid 138 through 154 removed outlier: 7.005A pdb=" N SER P 144 " --> pdb=" O GLN P 140 " (cutoff:3.500A) removed outlier: 5.883A pdb=" N ASP P 145 " --> pdb=" O ARG P 141 " (cutoff:3.500A) Processing helix chain 'P' and resid 166 through 170 Processing helix chain 'P' and resid 252 through 256 Processing helix chain 'P' and resid 257 through 277 Processing helix chain 'P' and resid 293 through 309 removed outlier: 5.356A pdb=" N GLU P 299 " --> pdb=" O ARG P 295 " (cutoff:3.500A) removed outlier: 4.084A pdb=" N HIS P 300 " --> pdb=" O LYS P 296 " (cutoff:3.500A) removed outlier: 3.695A pdb=" N THR P 307 " --> pdb=" O HIS P 303 " (cutoff:3.500A) removed outlier: 3.552A pdb=" N LYS P 309 " --> pdb=" O MET P 305 " (cutoff:3.500A) Processing helix chain 'P' and resid 360 through 373 Processing helix chain 'P' and resid 397 through 415 Processing helix chain 'P' and resid 415 through 430 Proline residue: P 421 - end of helix Processing helix chain 'P' and resid 433 through 441 Processing helix chain 'P' and resid 451 through 474 Processing helix chain 'P' and resid 475 through 477 No H-bonds generated for 'chain 'P' and resid 475 through 477' Processing helix chain 'P' and resid 482 through 490 Processing helix chain 'P' and resid 494 through 509 Processing sheet with id=AA1, first strand: chain 'a' and resid 94 through 100 removed outlier: 6.410A pdb=" N PHE b 125 " --> pdb=" O MET a 96 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N MET a 98 " --> pdb=" O PHE b 125 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N LEU b 127 " --> pdb=" O MET a 98 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N ARG a 100 " --> pdb=" O LEU b 127 " (cutoff:3.500A) removed outlier: 8.554A pdb=" N ALA b 129 " --> pdb=" O ARG a 100 " (cutoff:3.500A) removed outlier: 3.523A pdb=" N LYS b 141 " --> pdb=" O TYR b 131 " (cutoff:3.500A) Processing sheet with id=AA2, first strand: chain 'a' and resid 94 through 100 removed outlier: 6.410A pdb=" N PHE b 125 " --> pdb=" O MET a 96 " (cutoff:3.500A) removed outlier: 4.371A pdb=" N MET a 98 " --> pdb=" O PHE b 125 " (cutoff:3.500A) removed outlier: 7.134A pdb=" N LEU b 127 " --> pdb=" O MET a 98 " (cutoff:3.500A) removed outlier: 4.916A pdb=" N ARG a 100 " --> pdb=" O LEU b 127 " (cutoff:3.500A) removed outlier: 8.554A pdb=" N ALA b 129 " --> pdb=" O ARG a 100 " (cutoff:3.500A) Processing sheet with id=AA3, first strand: chain 'a' and resid 497 through 498 removed outlier: 6.563A pdb=" N LYS a 256 " --> pdb=" O GLN a 497 " (cutoff:3.500A) removed outlier: 7.849A pdb=" N GLN a 123 " --> pdb=" O MET f 96 " (cutoff:3.500A) removed outlier: 7.053A pdb=" N MET f 98 " --> pdb=" O GLN a 123 " (cutoff:3.500A) removed outlier: 6.478A pdb=" N PHE a 125 " --> pdb=" O MET f 98 " (cutoff:3.500A) Processing sheet with id=AA4, first strand: chain 'a' and resid 141 through 142 Processing sheet with id=AA5, first strand: chain 'a' and resid 177 through 182 Processing sheet with id=AA6, first strand: chain 'a' and resid 263 through 267 removed outlier: 7.130A pdb=" N ARG a 476 " --> pdb=" O ALA a 455 " (cutoff:3.500A) removed outlier: 5.217A pdb=" N ALA a 455 " --> pdb=" O ARG a 476 " (cutoff:3.500A) Processing sheet with id=AA7, first strand: chain 'a' and resid 314 through 316 removed outlier: 6.514A pdb=" N GLN a 315 " --> pdb=" O ARG a 515 " (cutoff:3.500A) removed outlier: 8.421A pdb=" N TYR a 517 " --> pdb=" O GLN a 315 " (cutoff:3.500A) Processing sheet with id=AA8, first strand: chain 'a' and resid 314 through 316 removed outlier: 6.514A pdb=" N GLN a 315 " --> pdb=" O ARG a 515 " (cutoff:3.500A) removed outlier: 8.421A pdb=" N TYR a 517 " --> pdb=" O GLN a 315 " (cutoff:3.500A) removed outlier: 6.459A pdb=" N ILE a 376 " --> pdb=" O TYR a 424 " (cutoff:3.500A) removed outlier: 6.664A pdb=" N ILE a 425 " --> pdb=" O PHE a 413 " (cutoff:3.500A) removed outlier: 6.514A pdb=" N PHE a 413 " --> pdb=" O ILE a 425 " (cutoff:3.500A) Processing sheet with id=AA9, first strand: chain 'a' and resid 448 through 449 Processing sheet with id=AB1, first strand: chain 'b' and resid 94 through 100 removed outlier: 6.290A pdb=" N ALA b 94 " --> pdb=" O GLN c 123 " (cutoff:3.500A) removed outlier: 7.961A pdb=" N PHE c 125 " --> pdb=" O ALA b 94 " (cutoff:3.500A) removed outlier: 8.414A pdb=" N MET b 96 " --> pdb=" O PHE c 125 " (cutoff:3.500A) removed outlier: 11.552A pdb=" N LEU c 127 " --> pdb=" O MET b 96 " (cutoff:3.500A) removed outlier: 10.185A pdb=" N MET b 98 " --> pdb=" O LEU c 127 " (cutoff:3.500A) removed outlier: 12.728A pdb=" N ALA c 129 " --> pdb=" O MET b 98 " (cutoff:3.500A) removed outlier: 11.186A pdb=" N ARG b 100 " --> pdb=" O ALA c 129 " (cutoff:3.500A) removed outlier: 15.007A pdb=" N TYR c 131 " --> pdb=" O ARG b 100 " (cutoff:3.500A) Processing sheet with id=AB2, first strand: chain 'b' and resid 454 through 462 removed outlier: 5.200A pdb=" N ALA b 455 " --> pdb=" O ARG b 476 " (cutoff:3.500A) removed outlier: 7.171A pdb=" N ARG b 476 " --> pdb=" O ALA b 455 " (cutoff:3.500A) removed outlier: 4.581A pdb=" N ASN c 248 " --> pdb=" O GLN b 265 " (cutoff:3.500A) Processing sheet with id=AB3, first strand: chain 'b' and resid 148 through 149 removed outlier: 4.477A pdb=" N THR b 187 " --> pdb=" O GLY b 149 " (cutoff:3.500A) Processing sheet with id=AB4, first strand: chain 'b' and resid 148 through 149 removed outlier: 4.477A pdb=" N THR b 187 " --> pdb=" O GLY b 149 " (cutoff:3.500A) Processing sheet with id=AB5, first strand: chain 'b' and resid 314 through 316 removed outlier: 6.457A pdb=" N GLN b 315 " --> pdb=" O ARG b 515 " (cutoff:3.500A) removed outlier: 8.474A pdb=" N TYR b 517 " --> pdb=" O GLN b 315 " (cutoff:3.500A) removed outlier: 6.339A pdb=" N PHE b 332 " --> pdb=" O LYS b 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AB5 Processing sheet with id=AB6, first strand: chain 'b' and resid 314 through 316 removed outlier: 6.457A pdb=" N GLN b 315 " --> pdb=" O ARG b 515 " (cutoff:3.500A) removed outlier: 8.474A pdb=" N TYR b 517 " --> pdb=" O GLN b 315 " (cutoff:3.500A) removed outlier: 6.572A pdb=" N ILE b 425 " --> pdb=" O PHE b 413 " (cutoff:3.500A) removed outlier: 6.407A pdb=" N PHE b 413 " --> pdb=" O ILE b 425 " (cutoff:3.500A) Processing sheet with id=AB7, first strand: chain 'b' and resid 448 through 450 Processing sheet with id=AB8, first strand: chain 'c' and resid 94 through 100 removed outlier: 6.654A pdb=" N PHE d 125 " --> pdb=" O MET c 96 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N MET c 98 " --> pdb=" O PHE d 125 " (cutoff:3.500A) removed outlier: 6.910A pdb=" N LEU d 127 " --> pdb=" O MET c 98 " (cutoff:3.500A) removed outlier: 5.081A pdb=" N ARG c 100 " --> pdb=" O LEU d 127 " (cutoff:3.500A) removed outlier: 8.715A pdb=" N ALA d 129 " --> pdb=" O ARG c 100 " (cutoff:3.500A) Processing sheet with id=AB9, first strand: chain 'c' and resid 94 through 100 removed outlier: 6.654A pdb=" N PHE d 125 " --> pdb=" O MET c 96 " (cutoff:3.500A) removed outlier: 4.257A pdb=" N MET c 98 " --> pdb=" O PHE d 125 " (cutoff:3.500A) removed outlier: 6.910A pdb=" N LEU d 127 " --> pdb=" O MET c 98 " (cutoff:3.500A) removed outlier: 5.081A pdb=" N ARG c 100 " --> pdb=" O LEU d 127 " (cutoff:3.500A) removed outlier: 8.715A pdb=" N ALA d 129 " --> pdb=" O ARG c 100 " (cutoff:3.500A) removed outlier: 9.742A pdb=" N GLN d 497 " --> pdb=" O ILE d 254 " (cutoff:3.500A) removed outlier: 6.748A pdb=" N LYS d 256 " --> pdb=" O GLN d 497 " (cutoff:3.500A) Processing sheet with id=AC1, first strand: chain 'c' and resid 177 through 181 Processing sheet with id=AC2, first strand: chain 'c' and resid 263 through 267 removed outlier: 7.068A pdb=" N ARG c 476 " --> pdb=" O ALA c 455 " (cutoff:3.500A) removed outlier: 5.175A pdb=" N ALA c 455 " --> pdb=" O ARG c 476 " (cutoff:3.500A) Processing sheet with id=AC3, first strand: chain 'c' and resid 314 through 316 removed outlier: 6.576A pdb=" N GLN c 315 " --> pdb=" O ARG c 515 " (cutoff:3.500A) removed outlier: 8.480A pdb=" N TYR c 517 " --> pdb=" O GLN c 315 " (cutoff:3.500A) Processing sheet with id=AC4, first strand: chain 'c' and resid 314 through 316 removed outlier: 6.576A pdb=" N GLN c 315 " --> pdb=" O ARG c 515 " (cutoff:3.500A) removed outlier: 8.480A pdb=" N TYR c 517 " --> pdb=" O GLN c 315 " (cutoff:3.500A) removed outlier: 6.295A pdb=" N ILE c 376 " --> pdb=" O TYR c 424 " (cutoff:3.500A) removed outlier: 6.567A pdb=" N ILE c 425 " --> pdb=" O PHE c 413 " (cutoff:3.500A) removed outlier: 6.356A pdb=" N PHE c 413 " --> pdb=" O ILE c 425 " (cutoff:3.500A) Processing sheet with id=AC5, first strand: chain 'c' and resid 448 through 450 Processing sheet with id=AC6, first strand: chain 'd' and resid 95 through 99 removed outlier: 7.190A pdb=" N PHE e 125 " --> pdb=" O MET d 96 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N MET d 98 " --> pdb=" O PHE e 125 " (cutoff:3.500A) removed outlier: 6.955A pdb=" N LEU e 127 " --> pdb=" O MET d 98 " (cutoff:3.500A) Processing sheet with id=AC7, first strand: chain 'd' and resid 95 through 99 removed outlier: 7.190A pdb=" N PHE e 125 " --> pdb=" O MET d 96 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N MET d 98 " --> pdb=" O PHE e 125 " (cutoff:3.500A) removed outlier: 6.955A pdb=" N LEU e 127 " --> pdb=" O MET d 98 " (cutoff:3.500A) Processing sheet with id=AC8, first strand: chain 'd' and resid 177 through 182 Processing sheet with id=AC9, first strand: chain 'd' and resid 263 through 267 removed outlier: 4.440A pdb=" N GLN d 468 " --> pdb=" O ASP d 463 " (cutoff:3.500A) removed outlier: 7.790A pdb=" N ARG d 476 " --> pdb=" O ALA d 455 " (cutoff:3.500A) removed outlier: 5.607A pdb=" N ALA d 455 " --> pdb=" O ARG d 476 " (cutoff:3.500A) Processing sheet with id=AD1, first strand: chain 'd' and resid 314 through 316 removed outlier: 6.083A pdb=" N GLN d 315 " --> pdb=" O ARG d 515 " (cutoff:3.500A) removed outlier: 7.936A pdb=" N TYR d 517 " --> pdb=" O GLN d 315 " (cutoff:3.500A) removed outlier: 6.401A pdb=" N PHE d 332 " --> pdb=" O LYS d 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AD1 Processing sheet with id=AD2, first strand: chain 'd' and resid 314 through 316 removed outlier: 6.083A pdb=" N GLN d 315 " --> pdb=" O ARG d 515 " (cutoff:3.500A) removed outlier: 7.936A pdb=" N TYR d 517 " --> pdb=" O GLN d 315 " (cutoff:3.500A) removed outlier: 6.426A pdb=" N ILE d 376 " --> pdb=" O TYR d 424 " (cutoff:3.500A) removed outlier: 6.466A pdb=" N ILE d 425 " --> pdb=" O PHE d 413 " (cutoff:3.500A) removed outlier: 6.203A pdb=" N PHE d 413 " --> pdb=" O ILE d 425 " (cutoff:3.500A) Processing sheet with id=AD3, first strand: chain 'd' and resid 448 through 450 Processing sheet with id=AD4, first strand: chain 'e' and resid 95 through 100 removed outlier: 5.554A pdb=" N PHE f 125 " --> pdb=" O MET e 96 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N MET e 98 " --> pdb=" O PHE f 125 " (cutoff:3.500A) removed outlier: 7.031A pdb=" N LEU f 127 " --> pdb=" O MET e 98 " (cutoff:3.500A) removed outlier: 4.538A pdb=" N ARG e 100 " --> pdb=" O LEU f 127 " (cutoff:3.500A) removed outlier: 8.564A pdb=" N ALA f 129 " --> pdb=" O ARG e 100 " (cutoff:3.500A) Processing sheet with id=AD5, first strand: chain 'e' and resid 95 through 100 removed outlier: 5.554A pdb=" N PHE f 125 " --> pdb=" O MET e 96 " (cutoff:3.500A) removed outlier: 4.263A pdb=" N MET e 98 " --> pdb=" O PHE f 125 " (cutoff:3.500A) removed outlier: 7.031A pdb=" N LEU f 127 " --> pdb=" O MET e 98 " (cutoff:3.500A) removed outlier: 4.538A pdb=" N ARG e 100 " --> pdb=" O LEU f 127 " (cutoff:3.500A) removed outlier: 8.564A pdb=" N ALA f 129 " --> pdb=" O ARG e 100 " (cutoff:3.500A) removed outlier: 9.518A pdb=" N GLN f 497 " --> pdb=" O ILE f 254 " (cutoff:3.500A) removed outlier: 6.739A pdb=" N LYS f 256 " --> pdb=" O GLN f 497 " (cutoff:3.500A) Processing sheet with id=AD6, first strand: chain 'e' and resid 148 through 149 Processing sheet with id=AD7, first strand: chain 'e' and resid 148 through 149 Processing sheet with id=AD8, first strand: chain 'e' and resid 263 through 267 removed outlier: 6.893A pdb=" N ARG e 476 " --> pdb=" O ALA e 455 " (cutoff:3.500A) removed outlier: 5.080A pdb=" N ALA e 455 " --> pdb=" O ARG e 476 " (cutoff:3.500A) Processing sheet with id=AD9, first strand: chain 'e' and resid 314 through 316 removed outlier: 6.899A pdb=" N GLN e 315 " --> pdb=" O ARG e 515 " (cutoff:3.500A) removed outlier: 8.532A pdb=" N TYR e 517 " --> pdb=" O GLN e 315 " (cutoff:3.500A) Processing sheet with id=AE1, first strand: chain 'e' and resid 314 through 316 removed outlier: 6.899A pdb=" N GLN e 315 " --> pdb=" O ARG e 515 " (cutoff:3.500A) removed outlier: 8.532A pdb=" N TYR e 517 " --> pdb=" O GLN e 315 " (cutoff:3.500A) removed outlier: 6.215A pdb=" N TYR e 433 " --> pdb=" O SER e 379 " (cutoff:3.500A) removed outlier: 6.369A pdb=" N ILE e 376 " --> pdb=" O TYR e 424 " (cutoff:3.500A) removed outlier: 7.089A pdb=" N ASP e 426 " --> pdb=" O ILE e 376 " (cutoff:3.500A) removed outlier: 6.328A pdb=" N ALA e 378 " --> pdb=" O ASP e 426 " (cutoff:3.500A) removed outlier: 6.611A pdb=" N ILE e 425 " --> pdb=" O PHE e 413 " (cutoff:3.500A) removed outlier: 6.427A pdb=" N PHE e 413 " --> pdb=" O ILE e 425 " (cutoff:3.500A) Processing sheet with id=AE2, first strand: chain 'e' and resid 448 through 450 Processing sheet with id=AE3, first strand: chain 'f' and resid 177 through 182 Processing sheet with id=AE4, first strand: chain 'f' and resid 263 through 267 removed outlier: 7.299A pdb=" N ARG f 476 " --> pdb=" O ALA f 455 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ALA f 455 " --> pdb=" O ARG f 476 " (cutoff:3.500A) Processing sheet with id=AE5, first strand: chain 'f' and resid 314 through 316 removed outlier: 7.082A pdb=" N GLN f 315 " --> pdb=" O ARG f 515 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N TYR f 517 " --> pdb=" O GLN f 315 " (cutoff:3.500A) Processing sheet with id=AE6, first strand: chain 'f' and resid 314 through 316 removed outlier: 7.082A pdb=" N GLN f 315 " --> pdb=" O ARG f 515 " (cutoff:3.500A) removed outlier: 8.757A pdb=" N TYR f 517 " --> pdb=" O GLN f 315 " (cutoff:3.500A) removed outlier: 6.210A pdb=" N ILE f 376 " --> pdb=" O TYR f 424 " (cutoff:3.500A) removed outlier: 5.265A pdb=" N TYR f 421 " --> pdb=" O VAL f 416 " (cutoff:3.500A) removed outlier: 4.232A pdb=" N VAL f 416 " --> pdb=" O TYR f 421 " (cutoff:3.500A) removed outlier: 6.909A pdb=" N VAL f 423 " --> pdb=" O ALA f 414 " (cutoff:3.500A) Processing sheet with id=AE7, first strand: chain 'f' and resid 449 through 450 Processing sheet with id=AE8, first strand: chain 'g' and resid 98 through 100 removed outlier: 7.197A pdb=" N VAL g 99 " --> pdb=" O LEU h 127 " (cutoff:3.500A) removed outlier: 9.590A pdb=" N GLN h 497 " --> pdb=" O ILE h 254 " (cutoff:3.500A) removed outlier: 6.853A pdb=" N LYS h 256 " --> pdb=" O GLN h 497 " (cutoff:3.500A) Processing sheet with id=AE9, first strand: chain 'g' and resid 496 through 498 removed outlier: 7.271A pdb=" N GLN g 123 " --> pdb=" O MET l 96 " (cutoff:3.500A) removed outlier: 6.528A pdb=" N MET l 98 " --> pdb=" O GLN g 123 " (cutoff:3.500A) removed outlier: 6.441A pdb=" N PHE g 125 " --> pdb=" O MET l 98 " (cutoff:3.500A) removed outlier: 5.603A pdb=" N ARG l 100 " --> pdb=" O PHE g 125 " (cutoff:3.500A) removed outlier: 6.214A pdb=" N LEU g 127 " --> pdb=" O ARG l 100 " (cutoff:3.500A) Processing sheet with id=AF1, first strand: chain 'g' and resid 141 through 142 Processing sheet with id=AF2, first strand: chain 'g' and resid 177 through 182 Processing sheet with id=AF3, first strand: chain 'g' and resid 263 through 267 removed outlier: 6.862A pdb=" N VAL g 470 " --> pdb=" O ARG g 460 " (cutoff:3.500A) removed outlier: 4.448A pdb=" N ARG g 460 " --> pdb=" O VAL g 470 " (cutoff:3.500A) removed outlier: 6.771A pdb=" N GLY g 472 " --> pdb=" O PRO g 458 " (cutoff:3.500A) removed outlier: 5.470A pdb=" N LYS g 474 " --> pdb=" O LEU g 456 " (cutoff:3.500A) Processing sheet with id=AF4, first strand: chain 'g' and resid 314 through 316 removed outlier: 6.520A pdb=" N GLN g 315 " --> pdb=" O ARG g 515 " (cutoff:3.500A) removed outlier: 8.505A pdb=" N TYR g 517 " --> pdb=" O GLN g 315 " (cutoff:3.500A) removed outlier: 6.029A pdb=" N PHE g 332 " --> pdb=" O LYS g 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AF4 Processing sheet with id=AF5, first strand: chain 'g' and resid 314 through 316 removed outlier: 6.520A pdb=" N GLN g 315 " --> pdb=" O ARG g 515 " (cutoff:3.500A) removed outlier: 8.505A pdb=" N TYR g 517 " --> pdb=" O GLN g 315 " (cutoff:3.500A) removed outlier: 6.684A pdb=" N ILE g 425 " --> pdb=" O PHE g 413 " (cutoff:3.500A) removed outlier: 6.697A pdb=" N PHE g 413 " --> pdb=" O ILE g 425 " (cutoff:3.500A) Processing sheet with id=AF6, first strand: chain 'g' and resid 448 through 449 Processing sheet with id=AF7, first strand: chain 'h' and resid 98 through 100 Processing sheet with id=AF8, first strand: chain 'h' and resid 98 through 100 removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) Processing sheet with id=AF9, first strand: chain 'h' and resid 98 through 100 removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) Processing sheet with id=AG1, first strand: chain 'h' and resid 454 through 462 removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) Processing sheet with id=AG2, first strand: chain 'h' and resid 454 through 462 removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) Processing sheet with id=AG3, first strand: chain 'h' and resid 454 through 462 removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) Processing sheet with id=AG4, first strand: chain 'h' and resid 454 through 462 removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N LYS i 141 " --> pdb=" O TYR i 131 " (cutoff:3.500A) Processing sheet with id=AG5, first strand: chain 'i' and resid 141 through 142 removed outlier: 3.920A pdb=" N LYS i 141 " --> pdb=" O TYR i 131 " (cutoff:3.500A) Processing sheet with id=AG6, first strand: chain 'i' and resid 141 through 142 removed outlier: 3.920A pdb=" N LYS i 141 " --> pdb=" O TYR i 131 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) Processing sheet with id=AG7, first strand: chain 'i' and resid 141 through 142 removed outlier: 3.920A pdb=" N LYS i 141 " --> pdb=" O TYR i 131 " (cutoff:3.500A) removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) Processing sheet with id=AG8, first strand: chain 'i' and resid 228 through 229 removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) Processing sheet with id=AG9, first strand: chain 'i' and resid 228 through 229 removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) Processing sheet with id=AH1, first strand: chain 'i' and resid 228 through 229 removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) Processing sheet with id=AH2, first strand: chain 'i' and resid 228 through 229 removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) removed outlier: 3.920A pdb=" N LYS i 141 " --> pdb=" O TYR i 131 " (cutoff:3.500A) Processing sheet with id=AH3, first strand: chain 'i' and resid 496 through 498 removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) Processing sheet with id=AH4, first strand: chain 'i' and resid 496 through 498 Processing sheet with id=AH5, first strand: chain 'i' and resid 496 through 498 removed outlier: 3.920A pdb=" N LYS i 141 " --> pdb=" O TYR i 131 " (cutoff:3.500A) Processing sheet with id=AH6, first strand: chain 'i' and resid 496 through 498 removed outlier: 4.019A pdb=" N ASN i 248 " --> pdb=" O GLN h 265 " (cutoff:3.500A) removed outlier: 7.185A pdb=" N ARG h 476 " --> pdb=" O ALA h 455 " (cutoff:3.500A) removed outlier: 5.211A pdb=" N ALA h 455 " --> pdb=" O ARG h 476 " (cutoff:3.500A) Processing sheet with id=AH7, first strand: chain 'h' and resid 130 through 131 removed outlier: 4.261A pdb=" N LYS h 141 " --> pdb=" O TYR h 131 " (cutoff:3.500A) Processing sheet with id=AH8, first strand: chain 'h' and resid 177 through 182 Processing sheet with id=AH9, first strand: chain 'h' and resid 314 through 316 Processing sheet with id=AI1, first strand: chain 'h' and resid 314 through 316 removed outlier: 6.293A pdb=" N ILE h 376 " --> pdb=" O TYR h 424 " (cutoff:3.500A) removed outlier: 6.495A pdb=" N ILE h 425 " --> pdb=" O PHE h 413 " (cutoff:3.500A) removed outlier: 6.352A pdb=" N PHE h 413 " --> pdb=" O ILE h 425 " (cutoff:3.500A) Processing sheet with id=AI2, first strand: chain 'h' and resid 448 through 450 Processing sheet with id=AI3, first strand: chain 'i' and resid 97 through 100 removed outlier: 3.667A pdb=" N GLY i 97 " --> pdb=" O GLN j 123 " (cutoff:3.500A) Processing sheet with id=AI4, first strand: chain 'i' and resid 97 through 100 removed outlier: 3.667A pdb=" N GLY i 97 " --> pdb=" O GLN j 123 " (cutoff:3.500A) Processing sheet with id=AI5, first strand: chain 'i' and resid 148 through 149 Processing sheet with id=AI6, first strand: chain 'i' and resid 148 through 149 Processing sheet with id=AI7, first strand: chain 'i' and resid 263 through 267 removed outlier: 7.267A pdb=" N ARG i 476 " --> pdb=" O ALA i 455 " (cutoff:3.500A) removed outlier: 5.293A pdb=" N ALA i 455 " --> pdb=" O ARG i 476 " (cutoff:3.500A) Processing sheet with id=AI8, first strand: chain 'i' and resid 314 through 316 removed outlier: 6.269A pdb=" N GLN i 315 " --> pdb=" O ARG i 515 " (cutoff:3.500A) removed outlier: 8.259A pdb=" N TYR i 517 " --> pdb=" O GLN i 315 " (cutoff:3.500A) Processing sheet with id=AI9, first strand: chain 'i' and resid 314 through 316 removed outlier: 6.269A pdb=" N GLN i 315 " --> pdb=" O ARG i 515 " (cutoff:3.500A) removed outlier: 8.259A pdb=" N TYR i 517 " --> pdb=" O GLN i 315 " (cutoff:3.500A) removed outlier: 6.382A pdb=" N ILE i 376 " --> pdb=" O TYR i 424 " (cutoff:3.500A) removed outlier: 6.429A pdb=" N ILE i 425 " --> pdb=" O PHE i 413 " (cutoff:3.500A) removed outlier: 6.366A pdb=" N PHE i 413 " --> pdb=" O ILE i 425 " (cutoff:3.500A) Processing sheet with id=AJ1, first strand: chain 'i' and resid 448 through 450 Processing sheet with id=AJ2, first strand: chain 'j' and resid 94 through 100 removed outlier: 7.702A pdb=" N PHE k 125 " --> pdb=" O MET j 96 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N MET j 98 " --> pdb=" O PHE k 125 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N LEU k 127 " --> pdb=" O MET j 98 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N ARG j 100 " --> pdb=" O LEU k 127 " (cutoff:3.500A) removed outlier: 9.166A pdb=" N ALA k 129 " --> pdb=" O ARG j 100 " (cutoff:3.500A) Processing sheet with id=AJ3, first strand: chain 'j' and resid 94 through 100 removed outlier: 7.702A pdb=" N PHE k 125 " --> pdb=" O MET j 96 " (cutoff:3.500A) removed outlier: 4.007A pdb=" N MET j 98 " --> pdb=" O PHE k 125 " (cutoff:3.500A) removed outlier: 6.928A pdb=" N LEU k 127 " --> pdb=" O MET j 98 " (cutoff:3.500A) removed outlier: 5.183A pdb=" N ARG j 100 " --> pdb=" O LEU k 127 " (cutoff:3.500A) removed outlier: 9.166A pdb=" N ALA k 129 " --> pdb=" O ARG j 100 " (cutoff:3.500A) Processing sheet with id=AJ4, first strand: chain 'j' and resid 177 through 182 Processing sheet with id=AJ5, first strand: chain 'j' and resid 263 through 267 removed outlier: 7.198A pdb=" N ARG j 476 " --> pdb=" O ALA j 455 " (cutoff:3.500A) removed outlier: 5.340A pdb=" N ALA j 455 " --> pdb=" O ARG j 476 " (cutoff:3.500A) Processing sheet with id=AJ6, first strand: chain 'j' and resid 314 through 316 removed outlier: 6.456A pdb=" N GLN j 315 " --> pdb=" O ARG j 515 " (cutoff:3.500A) removed outlier: 8.299A pdb=" N TYR j 517 " --> pdb=" O GLN j 315 " (cutoff:3.500A) Processing sheet with id=AJ7, first strand: chain 'j' and resid 314 through 316 removed outlier: 6.456A pdb=" N GLN j 315 " --> pdb=" O ARG j 515 " (cutoff:3.500A) removed outlier: 8.299A pdb=" N TYR j 517 " --> pdb=" O GLN j 315 " (cutoff:3.500A) removed outlier: 6.224A pdb=" N ILE j 376 " --> pdb=" O TYR j 424 " (cutoff:3.500A) removed outlier: 6.516A pdb=" N ILE j 425 " --> pdb=" O PHE j 413 " (cutoff:3.500A) removed outlier: 6.365A pdb=" N PHE j 413 " --> pdb=" O ILE j 425 " (cutoff:3.500A) Processing sheet with id=AJ8, first strand: chain 'j' and resid 448 through 450 Processing sheet with id=AJ9, first strand: chain 'k' and resid 95 through 100 removed outlier: 4.413A pdb=" N VAL k 95 " --> pdb=" O GLN l 123 " (cutoff:3.500A) removed outlier: 7.246A pdb=" N PHE l 125 " --> pdb=" O VAL k 95 " (cutoff:3.500A) removed outlier: 6.408A pdb=" N GLY k 97 " --> pdb=" O PHE l 125 " (cutoff:3.500A) removed outlier: 8.472A pdb=" N LEU l 127 " --> pdb=" O GLY k 97 " (cutoff:3.500A) removed outlier: 6.775A pdb=" N VAL k 99 " --> pdb=" O LEU l 127 " (cutoff:3.500A) removed outlier: 8.288A pdb=" N ALA l 129 " --> pdb=" O VAL k 99 " (cutoff:3.500A) Processing sheet with id=AK1, first strand: chain 'k' and resid 95 through 100 removed outlier: 4.413A pdb=" N VAL k 95 " --> pdb=" O GLN l 123 " (cutoff:3.500A) removed outlier: 7.246A pdb=" N PHE l 125 " --> pdb=" O VAL k 95 " (cutoff:3.500A) removed outlier: 6.408A pdb=" N GLY k 97 " --> pdb=" O PHE l 125 " (cutoff:3.500A) removed outlier: 8.472A pdb=" N LEU l 127 " --> pdb=" O GLY k 97 " (cutoff:3.500A) removed outlier: 6.775A pdb=" N VAL k 99 " --> pdb=" O LEU l 127 " (cutoff:3.500A) removed outlier: 8.288A pdb=" N ALA l 129 " --> pdb=" O VAL k 99 " (cutoff:3.500A) removed outlier: 9.425A pdb=" N GLN l 497 " --> pdb=" O ILE l 254 " (cutoff:3.500A) removed outlier: 6.809A pdb=" N LYS l 256 " --> pdb=" O GLN l 497 " (cutoff:3.500A) Processing sheet with id=AK2, first strand: chain 'k' and resid 148 through 149 Processing sheet with id=AK3, first strand: chain 'k' and resid 148 through 149 Processing sheet with id=AK4, first strand: chain 'k' and resid 263 through 267 removed outlier: 7.115A pdb=" N ARG k 476 " --> pdb=" O ALA k 455 " (cutoff:3.500A) removed outlier: 5.329A pdb=" N ALA k 455 " --> pdb=" O ARG k 476 " (cutoff:3.500A) Processing sheet with id=AK5, first strand: chain 'k' and resid 314 through 316 removed outlier: 6.088A pdb=" N PHE k 332 " --> pdb=" O LYS k 519 " (cutoff:3.500A) Processing sheet with id=AK6, first strand: chain 'k' and resid 314 through 316 removed outlier: 3.568A pdb=" N GLY k 415 " --> pdb=" O VAL k 423 " (cutoff:3.500A) removed outlier: 6.921A pdb=" N ILE k 425 " --> pdb=" O PHE k 413 " (cutoff:3.500A) removed outlier: 6.336A pdb=" N PHE k 413 " --> pdb=" O ILE k 425 " (cutoff:3.500A) Processing sheet with id=AK7, first strand: chain 'k' and resid 448 through 450 Processing sheet with id=AK8, first strand: chain 'l' and resid 177 through 181 Processing sheet with id=AK9, first strand: chain 'l' and resid 263 through 267 removed outlier: 7.118A pdb=" N ARG l 476 " --> pdb=" O ALA l 455 " (cutoff:3.500A) removed outlier: 5.251A pdb=" N ALA l 455 " --> pdb=" O ARG l 476 " (cutoff:3.500A) Processing sheet with id=AL1, first strand: chain 'l' and resid 314 through 316 removed outlier: 6.507A pdb=" N GLN l 315 " --> pdb=" O ARG l 515 " (cutoff:3.500A) removed outlier: 8.548A pdb=" N TYR l 517 " --> pdb=" O GLN l 315 " (cutoff:3.500A) removed outlier: 6.350A pdb=" N PHE l 332 " --> pdb=" O LYS l 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AL1 Processing sheet with id=AL2, first strand: chain 'l' and resid 314 through 316 removed outlier: 6.507A pdb=" N GLN l 315 " --> pdb=" O ARG l 515 " (cutoff:3.500A) removed outlier: 8.548A pdb=" N TYR l 517 " --> pdb=" O GLN l 315 " (cutoff:3.500A) removed outlier: 6.245A pdb=" N ILE l 376 " --> pdb=" O TYR l 424 " (cutoff:3.500A) removed outlier: 6.536A pdb=" N ILE l 425 " --> pdb=" O PHE l 413 " (cutoff:3.500A) removed outlier: 6.279A pdb=" N PHE l 413 " --> pdb=" O ILE l 425 " (cutoff:3.500A) Processing sheet with id=AL3, first strand: chain 'l' and resid 448 through 449 Processing sheet with id=AL4, first strand: chain 'm' and resid 94 through 100 removed outlier: 7.621A pdb=" N PHE n 125 " --> pdb=" O MET m 96 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N MET m 98 " --> pdb=" O PHE n 125 " (cutoff:3.500A) removed outlier: 7.195A pdb=" N LEU n 127 " --> pdb=" O MET m 98 " (cutoff:3.500A) removed outlier: 4.857A pdb=" N ARG m 100 " --> pdb=" O LEU n 127 " (cutoff:3.500A) removed outlier: 8.930A pdb=" N ALA n 129 " --> pdb=" O ARG m 100 " (cutoff:3.500A) removed outlier: 3.839A pdb=" N LYS n 141 " --> pdb=" O TYR n 131 " (cutoff:3.500A) Processing sheet with id=AL5, first strand: chain 'm' and resid 94 through 100 removed outlier: 7.621A pdb=" N PHE n 125 " --> pdb=" O MET m 96 " (cutoff:3.500A) removed outlier: 4.298A pdb=" N MET m 98 " --> pdb=" O PHE n 125 " (cutoff:3.500A) removed outlier: 7.195A pdb=" N LEU n 127 " --> pdb=" O MET m 98 " (cutoff:3.500A) removed outlier: 4.857A pdb=" N ARG m 100 " --> pdb=" O LEU n 127 " (cutoff:3.500A) removed outlier: 8.930A pdb=" N ALA n 129 " --> pdb=" O ARG m 100 " (cutoff:3.500A) Processing sheet with id=AL6, first strand: chain 'm' and resid 497 through 498 removed outlier: 3.752A pdb=" N GLY m 122 " --> pdb=" O ILE m 259 " (cutoff:3.500A) removed outlier: 7.555A pdb=" N GLN m 123 " --> pdb=" O MET r 96 " (cutoff:3.500A) removed outlier: 6.886A pdb=" N MET r 98 " --> pdb=" O GLN m 123 " (cutoff:3.500A) removed outlier: 6.424A pdb=" N PHE m 125 " --> pdb=" O MET r 98 " (cutoff:3.500A) removed outlier: 5.848A pdb=" N ARG r 100 " --> pdb=" O PHE m 125 " (cutoff:3.500A) removed outlier: 6.746A pdb=" N LEU m 127 " --> pdb=" O ARG r 100 " (cutoff:3.500A) Processing sheet with id=AL7, first strand: chain 'm' and resid 141 through 142 Processing sheet with id=AL8, first strand: chain 'm' and resid 177 through 182 Processing sheet with id=AL9, first strand: chain 'm' and resid 263 through 267 removed outlier: 7.312A pdb=" N ARG m 476 " --> pdb=" O ALA m 455 " (cutoff:3.500A) removed outlier: 5.336A pdb=" N ALA m 455 " --> pdb=" O ARG m 476 " (cutoff:3.500A) Processing sheet with id=AM1, first strand: chain 'm' and resid 314 through 316 removed outlier: 6.716A pdb=" N GLN m 315 " --> pdb=" O ARG m 515 " (cutoff:3.500A) removed outlier: 8.465A pdb=" N TYR m 517 " --> pdb=" O GLN m 315 " (cutoff:3.500A) removed outlier: 6.300A pdb=" N PHE m 332 " --> pdb=" O LYS m 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AM1 Processing sheet with id=AM2, first strand: chain 'm' and resid 314 through 316 removed outlier: 6.716A pdb=" N GLN m 315 " --> pdb=" O ARG m 515 " (cutoff:3.500A) removed outlier: 8.465A pdb=" N TYR m 517 " --> pdb=" O GLN m 315 " (cutoff:3.500A) removed outlier: 6.765A pdb=" N ILE m 425 " --> pdb=" O PHE m 413 " (cutoff:3.500A) removed outlier: 6.590A pdb=" N PHE m 413 " --> pdb=" O ILE m 425 " (cutoff:3.500A) Processing sheet with id=AM3, first strand: chain 'm' and resid 448 through 450 Processing sheet with id=AM4, first strand: chain 'n' and resid 98 through 99 Processing sheet with id=AM5, first strand: chain 'n' and resid 454 through 462 removed outlier: 5.206A pdb=" N ALA n 455 " --> pdb=" O ARG n 476 " (cutoff:3.500A) removed outlier: 7.096A pdb=" N ARG n 476 " --> pdb=" O ALA n 455 " (cutoff:3.500A) removed outlier: 4.176A pdb=" N ASN o 248 " --> pdb=" O GLN n 265 " (cutoff:3.500A) Processing sheet with id=AM6, first strand: chain 'n' and resid 177 through 182 Processing sheet with id=AM7, first strand: chain 'n' and resid 314 through 316 removed outlier: 6.665A pdb=" N GLN n 315 " --> pdb=" O ARG n 515 " (cutoff:3.500A) removed outlier: 8.638A pdb=" N TYR n 517 " --> pdb=" O GLN n 315 " (cutoff:3.500A) Processing sheet with id=AM8, first strand: chain 'n' and resid 314 through 316 removed outlier: 6.665A pdb=" N GLN n 315 " --> pdb=" O ARG n 515 " (cutoff:3.500A) removed outlier: 8.638A pdb=" N TYR n 517 " --> pdb=" O GLN n 315 " (cutoff:3.500A) removed outlier: 6.820A pdb=" N ILE n 425 " --> pdb=" O PHE n 413 " (cutoff:3.500A) removed outlier: 6.491A pdb=" N PHE n 413 " --> pdb=" O ILE n 425 " (cutoff:3.500A) Processing sheet with id=AM9, first strand: chain 'n' and resid 448 through 450 Processing sheet with id=AN1, first strand: chain 'o' and resid 98 through 99 Processing sheet with id=AN2, first strand: chain 'o' and resid 113 through 114 Processing sheet with id=AN3, first strand: chain 'o' and resid 148 through 149 Processing sheet with id=AN4, first strand: chain 'o' and resid 148 through 149 Processing sheet with id=AN5, first strand: chain 'o' and resid 263 through 267 removed outlier: 3.924A pdb=" N GLY o 461 " --> pdb=" O VAL o 470 " (cutoff:3.500A) removed outlier: 4.027A pdb=" N GLY o 472 " --> pdb=" O LEU o 459 " (cutoff:3.500A) removed outlier: 7.238A pdb=" N ARG o 476 " --> pdb=" O ALA o 455 " (cutoff:3.500A) removed outlier: 5.389A pdb=" N ALA o 455 " --> pdb=" O ARG o 476 " (cutoff:3.500A) Processing sheet with id=AN6, first strand: chain 'o' and resid 314 through 316 removed outlier: 6.417A pdb=" N GLN o 315 " --> pdb=" O ARG o 515 " (cutoff:3.500A) removed outlier: 8.509A pdb=" N TYR o 517 " --> pdb=" O GLN o 315 " (cutoff:3.500A) Processing sheet with id=AN7, first strand: chain 'o' and resid 314 through 316 removed outlier: 6.417A pdb=" N GLN o 315 " --> pdb=" O ARG o 515 " (cutoff:3.500A) removed outlier: 8.509A pdb=" N TYR o 517 " --> pdb=" O GLN o 315 " (cutoff:3.500A) removed outlier: 6.288A pdb=" N ILE o 376 " --> pdb=" O TYR o 424 " (cutoff:3.500A) removed outlier: 6.446A pdb=" N ILE o 425 " --> pdb=" O PHE o 413 " (cutoff:3.500A) removed outlier: 6.385A pdb=" N PHE o 413 " --> pdb=" O ILE o 425 " (cutoff:3.500A) Processing sheet with id=AN8, first strand: chain 'p' and resid 94 through 100 removed outlier: 5.863A pdb=" N ALA p 94 " --> pdb=" O GLN q 123 " (cutoff:3.500A) removed outlier: 7.347A pdb=" N PHE q 125 " --> pdb=" O ALA p 94 " (cutoff:3.500A) removed outlier: 7.843A pdb=" N MET p 96 " --> pdb=" O PHE q 125 " (cutoff:3.500A) removed outlier: 11.871A pdb=" N LEU q 127 " --> pdb=" O MET p 96 " (cutoff:3.500A) removed outlier: 9.724A pdb=" N MET p 98 " --> pdb=" O LEU q 127 " (cutoff:3.500A) Processing sheet with id=AN9, first strand: chain 'p' and resid 141 through 142 Processing sheet with id=AO1, first strand: chain 'p' and resid 177 through 182 Processing sheet with id=AO2, first strand: chain 'p' and resid 263 through 267 removed outlier: 7.148A pdb=" N ARG p 476 " --> pdb=" O ALA p 455 " (cutoff:3.500A) removed outlier: 5.139A pdb=" N ALA p 455 " --> pdb=" O ARG p 476 " (cutoff:3.500A) Processing sheet with id=AO3, first strand: chain 'p' and resid 314 through 316 removed outlier: 6.452A pdb=" N GLN p 315 " --> pdb=" O ARG p 515 " (cutoff:3.500A) removed outlier: 8.395A pdb=" N TYR p 517 " --> pdb=" O GLN p 315 " (cutoff:3.500A) Processing sheet with id=AO4, first strand: chain 'p' and resid 314 through 316 removed outlier: 6.452A pdb=" N GLN p 315 " --> pdb=" O ARG p 515 " (cutoff:3.500A) removed outlier: 8.395A pdb=" N TYR p 517 " --> pdb=" O GLN p 315 " (cutoff:3.500A) removed outlier: 6.751A pdb=" N ILE p 425 " --> pdb=" O PHE p 413 " (cutoff:3.500A) removed outlier: 6.146A pdb=" N PHE p 413 " --> pdb=" O ILE p 425 " (cutoff:3.500A) Processing sheet with id=AO5, first strand: chain 'p' and resid 448 through 450 Processing sheet with id=AO6, first strand: chain 'q' and resid 95 through 100 removed outlier: 7.443A pdb=" N PHE r 125 " --> pdb=" O MET q 96 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N MET q 98 " --> pdb=" O PHE r 125 " (cutoff:3.500A) removed outlier: 6.966A pdb=" N LEU r 127 " --> pdb=" O MET q 98 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG q 100 " --> pdb=" O LEU r 127 " (cutoff:3.500A) removed outlier: 8.407A pdb=" N ALA r 129 " --> pdb=" O ARG q 100 " (cutoff:3.500A) Processing sheet with id=AO7, first strand: chain 'q' and resid 95 through 100 removed outlier: 7.443A pdb=" N PHE r 125 " --> pdb=" O MET q 96 " (cutoff:3.500A) removed outlier: 4.313A pdb=" N MET q 98 " --> pdb=" O PHE r 125 " (cutoff:3.500A) removed outlier: 6.966A pdb=" N LEU r 127 " --> pdb=" O MET q 98 " (cutoff:3.500A) removed outlier: 4.711A pdb=" N ARG q 100 " --> pdb=" O LEU r 127 " (cutoff:3.500A) removed outlier: 8.407A pdb=" N ALA r 129 " --> pdb=" O ARG q 100 " (cutoff:3.500A) removed outlier: 9.802A pdb=" N GLN r 497 " --> pdb=" O ILE r 254 " (cutoff:3.500A) removed outlier: 6.732A pdb=" N LYS r 256 " --> pdb=" O GLN r 497 " (cutoff:3.500A) Processing sheet with id=AO8, first strand: chain 'q' and resid 141 through 142 Processing sheet with id=AO9, first strand: chain 'q' and resid 177 through 182 Processing sheet with id=AP1, first strand: chain 'q' and resid 454 through 462 removed outlier: 5.207A pdb=" N ALA q 455 " --> pdb=" O ARG q 476 " (cutoff:3.500A) removed outlier: 6.995A pdb=" N ARG q 476 " --> pdb=" O ALA q 455 " (cutoff:3.500A) Processing sheet with id=AP2, first strand: chain 'q' and resid 314 through 316 removed outlier: 6.413A pdb=" N GLN q 315 " --> pdb=" O ARG q 515 " (cutoff:3.500A) removed outlier: 8.369A pdb=" N TYR q 517 " --> pdb=" O GLN q 315 " (cutoff:3.500A) removed outlier: 6.363A pdb=" N PHE q 332 " --> pdb=" O LYS q 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AP2 Processing sheet with id=AP3, first strand: chain 'q' and resid 314 through 316 removed outlier: 6.413A pdb=" N GLN q 315 " --> pdb=" O ARG q 515 " (cutoff:3.500A) removed outlier: 8.369A pdb=" N TYR q 517 " --> pdb=" O GLN q 315 " (cutoff:3.500A) removed outlier: 4.460A pdb=" N GLY q 415 " --> pdb=" O VAL q 423 " (cutoff:3.500A) removed outlier: 6.635A pdb=" N ILE q 425 " --> pdb=" O PHE q 413 " (cutoff:3.500A) removed outlier: 6.551A pdb=" N PHE q 413 " --> pdb=" O ILE q 425 " (cutoff:3.500A) Processing sheet with id=AP4, first strand: chain 'q' and resid 448 through 450 Processing sheet with id=AP5, first strand: chain 'r' and resid 177 through 182 Processing sheet with id=AP6, first strand: chain 'r' and resid 263 through 267 removed outlier: 7.056A pdb=" N ARG r 476 " --> pdb=" O ALA r 455 " (cutoff:3.500A) removed outlier: 5.391A pdb=" N ALA r 455 " --> pdb=" O ARG r 476 " (cutoff:3.500A) Processing sheet with id=AP7, first strand: chain 'r' and resid 314 through 316 removed outlier: 5.879A pdb=" N PHE r 332 " --> pdb=" O LYS r 519 " (cutoff:3.500A) Processing sheet with id=AP8, first strand: chain 'r' and resid 314 through 316 removed outlier: 6.476A pdb=" N ILE r 425 " --> pdb=" O PHE r 413 " (cutoff:3.500A) removed outlier: 6.419A pdb=" N PHE r 413 " --> pdb=" O ILE r 425 " (cutoff:3.500A) Processing sheet with id=AP9, first strand: chain 'r' and resid 448 through 450 Processing sheet with id=AQ1, first strand: chain 's' and resid 94 through 100 removed outlier: 6.563A pdb=" N VAL s 95 " --> pdb=" O THR t 121 " (cutoff:3.500A) removed outlier: 6.211A pdb=" N GLN t 123 " --> pdb=" O VAL s 95 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N GLY s 97 " --> pdb=" O GLN t 123 " (cutoff:3.500A) Processing sheet with id=AQ2, first strand: chain 's' and resid 94 through 100 removed outlier: 6.563A pdb=" N VAL s 95 " --> pdb=" O THR t 121 " (cutoff:3.500A) removed outlier: 6.211A pdb=" N GLN t 123 " --> pdb=" O VAL s 95 " (cutoff:3.500A) removed outlier: 4.140A pdb=" N GLY s 97 " --> pdb=" O GLN t 123 " (cutoff:3.500A) Processing sheet with id=AQ3, first strand: chain 's' and resid 497 through 498 removed outlier: 6.655A pdb=" N LYS s 256 " --> pdb=" O GLN s 497 " (cutoff:3.500A) removed outlier: 7.333A pdb=" N GLN s 123 " --> pdb=" O MET x 96 " (cutoff:3.500A) removed outlier: 7.172A pdb=" N MET x 98 " --> pdb=" O GLN s 123 " (cutoff:3.500A) removed outlier: 6.626A pdb=" N PHE s 125 " --> pdb=" O MET x 98 " (cutoff:3.500A) removed outlier: 5.886A pdb=" N ARG x 100 " --> pdb=" O PHE s 125 " (cutoff:3.500A) removed outlier: 6.901A pdb=" N LEU s 127 " --> pdb=" O ARG x 100 " (cutoff:3.500A) Processing sheet with id=AQ4, first strand: chain 's' and resid 141 through 142 Processing sheet with id=AQ5, first strand: chain 's' and resid 171 through 172 Processing sheet with id=AQ6, first strand: chain 's' and resid 177 through 182 Processing sheet with id=AQ7, first strand: chain 's' and resid 263 through 267 removed outlier: 6.786A pdb=" N ARG s 476 " --> pdb=" O ALA s 455 " (cutoff:3.500A) removed outlier: 4.981A pdb=" N ALA s 455 " --> pdb=" O ARG s 476 " (cutoff:3.500A) Processing sheet with id=AQ8, first strand: chain 's' and resid 314 through 316 removed outlier: 6.401A pdb=" N GLN s 315 " --> pdb=" O ARG s 515 " (cutoff:3.500A) removed outlier: 8.348A pdb=" N TYR s 517 " --> pdb=" O GLN s 315 " (cutoff:3.500A) Processing sheet with id=AQ9, first strand: chain 's' and resid 314 through 316 removed outlier: 6.401A pdb=" N GLN s 315 " --> pdb=" O ARG s 515 " (cutoff:3.500A) removed outlier: 8.348A pdb=" N TYR s 517 " --> pdb=" O GLN s 315 " (cutoff:3.500A) removed outlier: 6.576A pdb=" N ILE s 376 " --> pdb=" O TYR s 424 " (cutoff:3.500A) removed outlier: 6.462A pdb=" N ILE s 425 " --> pdb=" O PHE s 413 " (cutoff:3.500A) removed outlier: 6.494A pdb=" N PHE s 413 " --> pdb=" O ILE s 425 " (cutoff:3.500A) Processing sheet with id=AR1, first strand: chain 's' and resid 448 through 450 Processing sheet with id=AR2, first strand: chain 't' and resid 98 through 99 removed outlier: 6.848A pdb=" N VAL t 99 " --> pdb=" O LEU u 127 " (cutoff:3.500A) removed outlier: 8.349A pdb=" N ALA u 129 " --> pdb=" O VAL t 99 " (cutoff:3.500A) Processing sheet with id=AR3, first strand: chain 't' and resid 98 through 99 removed outlier: 6.848A pdb=" N VAL t 99 " --> pdb=" O LEU u 127 " (cutoff:3.500A) removed outlier: 8.349A pdb=" N ALA u 129 " --> pdb=" O VAL t 99 " (cutoff:3.500A) Processing sheet with id=AR4, first strand: chain 't' and resid 177 through 182 Processing sheet with id=AR5, first strand: chain 't' and resid 263 through 267 removed outlier: 7.101A pdb=" N ARG t 476 " --> pdb=" O ALA t 455 " (cutoff:3.500A) removed outlier: 5.282A pdb=" N ALA t 455 " --> pdb=" O ARG t 476 " (cutoff:3.500A) Processing sheet with id=AR6, first strand: chain 't' and resid 314 through 316 Processing sheet with id=AR7, first strand: chain 't' and resid 314 through 316 removed outlier: 6.396A pdb=" N ILE t 376 " --> pdb=" O TYR t 424 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ILE t 425 " --> pdb=" O PHE t 413 " (cutoff:3.500A) removed outlier: 6.469A pdb=" N PHE t 413 " --> pdb=" O ILE t 425 " (cutoff:3.500A) Processing sheet with id=AR8, first strand: chain 't' and resid 448 through 450 Processing sheet with id=AR9, first strand: chain 't' and resid 461 through 462 Processing sheet with id=AS1, first strand: chain 'u' and resid 98 through 99 removed outlier: 6.723A pdb=" N VAL u 99 " --> pdb=" O LEU v 127 " (cutoff:3.500A) removed outlier: 8.475A pdb=" N ALA v 129 " --> pdb=" O VAL u 99 " (cutoff:3.500A) removed outlier: 10.265A pdb=" N ASN v 248 " --> pdb=" O SER u 263 " (cutoff:3.500A) removed outlier: 7.354A pdb=" N GLN u 265 " --> pdb=" O ASN v 248 " (cutoff:3.500A) removed outlier: 8.177A pdb=" N MET v 250 " --> pdb=" O GLN u 265 " (cutoff:3.500A) removed outlier: 6.536A pdb=" N LYS u 267 " --> pdb=" O MET v 250 " (cutoff:3.500A) removed outlier: 9.015A pdb=" N PHE v 252 " --> pdb=" O LYS u 267 " (cutoff:3.500A) removed outlier: 5.705A pdb=" N VAL u 470 " --> pdb=" O ARG u 460 " (cutoff:3.500A) removed outlier: 4.151A pdb=" N ARG u 460 " --> pdb=" O VAL u 470 " (cutoff:3.500A) removed outlier: 6.325A pdb=" N GLY u 472 " --> pdb=" O PRO u 458 " (cutoff:3.500A) removed outlier: 5.676A pdb=" N LYS u 474 " --> pdb=" O LEU u 456 " (cutoff:3.500A) Processing sheet with id=AS2, first strand: chain 'u' and resid 98 through 99 removed outlier: 6.723A pdb=" N VAL u 99 " --> pdb=" O LEU v 127 " (cutoff:3.500A) removed outlier: 8.475A pdb=" N ALA v 129 " --> pdb=" O VAL u 99 " (cutoff:3.500A) removed outlier: 9.846A pdb=" N GLN v 497 " --> pdb=" O ILE v 254 " (cutoff:3.500A) removed outlier: 6.790A pdb=" N LYS v 256 " --> pdb=" O GLN v 497 " (cutoff:3.500A) Processing sheet with id=AS3, first strand: chain 'u' and resid 177 through 182 Processing sheet with id=AS4, first strand: chain 'u' and resid 314 through 316 removed outlier: 6.064A pdb=" N GLN u 315 " --> pdb=" O ARG u 515 " (cutoff:3.500A) removed outlier: 8.272A pdb=" N TYR u 517 " --> pdb=" O GLN u 315 " (cutoff:3.500A) Processing sheet with id=AS5, first strand: chain 'u' and resid 314 through 316 removed outlier: 6.064A pdb=" N GLN u 315 " --> pdb=" O ARG u 515 " (cutoff:3.500A) removed outlier: 8.272A pdb=" N TYR u 517 " --> pdb=" O GLN u 315 " (cutoff:3.500A) removed outlier: 6.362A pdb=" N ILE u 376 " --> pdb=" O TYR u 424 " (cutoff:3.500A) removed outlier: 6.465A pdb=" N ILE u 425 " --> pdb=" O PHE u 413 " (cutoff:3.500A) removed outlier: 6.321A pdb=" N PHE u 413 " --> pdb=" O ILE u 425 " (cutoff:3.500A) Processing sheet with id=AS6, first strand: chain 'u' and resid 448 through 450 Processing sheet with id=AS7, first strand: chain 'v' and resid 95 through 99 removed outlier: 6.485A pdb=" N PHE w 125 " --> pdb=" O MET v 96 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N MET v 98 " --> pdb=" O PHE w 125 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N LEU w 127 " --> pdb=" O MET v 98 " (cutoff:3.500A) Processing sheet with id=AS8, first strand: chain 'v' and resid 95 through 99 removed outlier: 6.485A pdb=" N PHE w 125 " --> pdb=" O MET v 96 " (cutoff:3.500A) removed outlier: 3.750A pdb=" N MET v 98 " --> pdb=" O PHE w 125 " (cutoff:3.500A) removed outlier: 6.223A pdb=" N LEU w 127 " --> pdb=" O MET v 98 " (cutoff:3.500A) Processing sheet with id=AS9, first strand: chain 'v' and resid 177 through 182 Processing sheet with id=AT1, first strand: chain 'v' and resid 263 through 267 removed outlier: 7.121A pdb=" N ARG v 476 " --> pdb=" O ALA v 455 " (cutoff:3.500A) removed outlier: 5.265A pdb=" N ALA v 455 " --> pdb=" O ARG v 476 " (cutoff:3.500A) Processing sheet with id=AT2, first strand: chain 'v' and resid 314 through 316 removed outlier: 6.337A pdb=" N GLN v 315 " --> pdb=" O ARG v 515 " (cutoff:3.500A) removed outlier: 8.241A pdb=" N TYR v 517 " --> pdb=" O GLN v 315 " (cutoff:3.500A) Processing sheet with id=AT3, first strand: chain 'v' and resid 314 through 316 removed outlier: 6.337A pdb=" N GLN v 315 " --> pdb=" O ARG v 515 " (cutoff:3.500A) removed outlier: 8.241A pdb=" N TYR v 517 " --> pdb=" O GLN v 315 " (cutoff:3.500A) removed outlier: 6.618A pdb=" N ILE v 425 " --> pdb=" O PHE v 413 " (cutoff:3.500A) removed outlier: 6.448A pdb=" N PHE v 413 " --> pdb=" O ILE v 425 " (cutoff:3.500A) Processing sheet with id=AT4, first strand: chain 'v' and resid 448 through 450 Processing sheet with id=AT5, first strand: chain 'w' and resid 95 through 100 removed outlier: 7.182A pdb=" N PHE x 125 " --> pdb=" O MET w 96 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N MET w 98 " --> pdb=" O PHE x 125 " (cutoff:3.500A) removed outlier: 7.048A pdb=" N LEU x 127 " --> pdb=" O MET w 98 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N ARG w 100 " --> pdb=" O LEU x 127 " (cutoff:3.500A) removed outlier: 8.484A pdb=" N ALA x 129 " --> pdb=" O ARG w 100 " (cutoff:3.500A) removed outlier: 4.172A pdb=" N LYS x 141 " --> pdb=" O TYR x 131 " (cutoff:3.500A) Processing sheet with id=AT6, first strand: chain 'w' and resid 95 through 100 removed outlier: 7.182A pdb=" N PHE x 125 " --> pdb=" O MET w 96 " (cutoff:3.500A) removed outlier: 4.346A pdb=" N MET w 98 " --> pdb=" O PHE x 125 " (cutoff:3.500A) removed outlier: 7.048A pdb=" N LEU x 127 " --> pdb=" O MET w 98 " (cutoff:3.500A) removed outlier: 4.856A pdb=" N ARG w 100 " --> pdb=" O LEU x 127 " (cutoff:3.500A) removed outlier: 8.484A pdb=" N ALA x 129 " --> pdb=" O ARG w 100 " (cutoff:3.500A) Processing sheet with id=AT7, first strand: chain 'w' and resid 177 through 182 removed outlier: 3.557A pdb=" N GLY w 186 " --> pdb=" O PHE w 182 " (cutoff:3.500A) Processing sheet with id=AT8, first strand: chain 'w' and resid 263 through 267 removed outlier: 7.072A pdb=" N ARG w 476 " --> pdb=" O ALA w 455 " (cutoff:3.500A) removed outlier: 5.199A pdb=" N ALA w 455 " --> pdb=" O ARG w 476 " (cutoff:3.500A) Processing sheet with id=AT9, first strand: chain 'w' and resid 314 through 316 removed outlier: 6.432A pdb=" N GLN w 315 " --> pdb=" O ARG w 515 " (cutoff:3.500A) removed outlier: 8.231A pdb=" N TYR w 517 " --> pdb=" O GLN w 315 " (cutoff:3.500A) removed outlier: 6.202A pdb=" N PHE w 332 " --> pdb=" O LYS w 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AT9 Processing sheet with id=AU1, first strand: chain 'w' and resid 314 through 316 removed outlier: 6.432A pdb=" N GLN w 315 " --> pdb=" O ARG w 515 " (cutoff:3.500A) removed outlier: 8.231A pdb=" N TYR w 517 " --> pdb=" O GLN w 315 " (cutoff:3.500A) removed outlier: 5.295A pdb=" N TYR w 421 " --> pdb=" O VAL w 416 " (cutoff:3.500A) removed outlier: 4.367A pdb=" N VAL w 416 " --> pdb=" O TYR w 421 " (cutoff:3.500A) removed outlier: 4.980A pdb=" N VAL w 423 " --> pdb=" O ALA w 414 " (cutoff:3.500A) Processing sheet with id=AU2, first strand: chain 'w' and resid 448 through 450 Processing sheet with id=AU3, first strand: chain 'x' and resid 177 through 182 Processing sheet with id=AU4, first strand: chain 'x' and resid 263 through 267 removed outlier: 7.087A pdb=" N ARG x 476 " --> pdb=" O ALA x 455 " (cutoff:3.500A) removed outlier: 5.181A pdb=" N ALA x 455 " --> pdb=" O ARG x 476 " (cutoff:3.500A) Processing sheet with id=AU5, first strand: chain 'x' and resid 314 through 316 removed outlier: 6.388A pdb=" N GLN x 315 " --> pdb=" O ARG x 515 " (cutoff:3.500A) removed outlier: 8.412A pdb=" N TYR x 517 " --> pdb=" O GLN x 315 " (cutoff:3.500A) removed outlier: 6.142A pdb=" N PHE x 332 " --> pdb=" O LYS x 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AU5 Processing sheet with id=AU6, first strand: chain 'x' and resid 314 through 316 removed outlier: 6.388A pdb=" N GLN x 315 " --> pdb=" O ARG x 515 " (cutoff:3.500A) removed outlier: 8.412A pdb=" N TYR x 517 " --> pdb=" O GLN x 315 " (cutoff:3.500A) removed outlier: 6.687A pdb=" N ILE x 425 " --> pdb=" O PHE x 413 " (cutoff:3.500A) removed outlier: 6.345A pdb=" N PHE x 413 " --> pdb=" O ILE x 425 " (cutoff:3.500A) Processing sheet with id=AU7, first strand: chain 'x' and resid 448 through 449 Processing sheet with id=AU8, first strand: chain 'y' and resid 94 through 100 removed outlier: 6.757A pdb=" N PHE z 125 " --> pdb=" O MET y 96 " (cutoff:3.500A) removed outlier: 4.340A pdb=" N MET y 98 " --> pdb=" O PHE z 125 " (cutoff:3.500A) removed outlier: 7.000A pdb=" N LEU z 127 " --> pdb=" O MET y 98 " (cutoff:3.500A) removed outlier: 4.891A pdb=" N ARG y 100 " --> pdb=" O LEU z 127 " (cutoff:3.500A) removed outlier: 8.823A pdb=" N ALA z 129 " --> pdb=" O ARG y 100 " (cutoff:3.500A) Processing sheet with id=AU9, first strand: chain 'y' and resid 497 through 498 removed outlier: 6.906A pdb=" N LYS y 256 " --> pdb=" O GLN y 497 " (cutoff:3.500A) removed outlier: 8.277A pdb=" N GLN y 123 " --> pdb=" O MET D 96 " (cutoff:3.500A) removed outlier: 7.025A pdb=" N MET D 98 " --> pdb=" O GLN y 123 " (cutoff:3.500A) removed outlier: 6.625A pdb=" N PHE y 125 " --> pdb=" O MET D 98 " (cutoff:3.500A) removed outlier: 5.879A pdb=" N ARG D 100 " --> pdb=" O PHE y 125 " (cutoff:3.500A) removed outlier: 6.163A pdb=" N LEU y 127 " --> pdb=" O ARG D 100 " (cutoff:3.500A) Processing sheet with id=AV1, first strand: chain 'y' and resid 141 through 142 Processing sheet with id=AV2, first strand: chain 'y' and resid 171 through 172 Processing sheet with id=AV3, first strand: chain 'y' and resid 177 through 182 Processing sheet with id=AV4, first strand: chain 'y' and resid 263 through 267 removed outlier: 7.334A pdb=" N ARG y 476 " --> pdb=" O ALA y 455 " (cutoff:3.500A) removed outlier: 5.141A pdb=" N ALA y 455 " --> pdb=" O ARG y 476 " (cutoff:3.500A) Processing sheet with id=AV5, first strand: chain 'y' and resid 314 through 316 removed outlier: 6.552A pdb=" N GLN y 315 " --> pdb=" O ARG y 515 " (cutoff:3.500A) removed outlier: 8.386A pdb=" N TYR y 517 " --> pdb=" O GLN y 315 " (cutoff:3.500A) Processing sheet with id=AV6, first strand: chain 'y' and resid 314 through 316 removed outlier: 6.552A pdb=" N GLN y 315 " --> pdb=" O ARG y 515 " (cutoff:3.500A) removed outlier: 8.386A pdb=" N TYR y 517 " --> pdb=" O GLN y 315 " (cutoff:3.500A) removed outlier: 6.482A pdb=" N ILE y 376 " --> pdb=" O TYR y 424 " (cutoff:3.500A) removed outlier: 6.645A pdb=" N ILE y 425 " --> pdb=" O PHE y 413 " (cutoff:3.500A) removed outlier: 6.349A pdb=" N PHE y 413 " --> pdb=" O ILE y 425 " (cutoff:3.500A) Processing sheet with id=AV7, first strand: chain 'y' and resid 448 through 450 Processing sheet with id=AV8, first strand: chain 'z' and resid 98 through 100 removed outlier: 7.095A pdb=" N VAL z 99 " --> pdb=" O LEU A 127 " (cutoff:3.500A) removed outlier: 8.580A pdb=" N ALA A 129 " --> pdb=" O VAL z 99 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N ASN A 248 " --> pdb=" O GLN z 265 " (cutoff:3.500A) Processing sheet with id=AV9, first strand: chain 'z' and resid 454 through 462 removed outlier: 5.205A pdb=" N ALA z 455 " --> pdb=" O ARG z 476 " (cutoff:3.500A) removed outlier: 7.031A pdb=" N ARG z 476 " --> pdb=" O ALA z 455 " (cutoff:3.500A) removed outlier: 4.463A pdb=" N ASN A 248 " --> pdb=" O GLN z 265 " (cutoff:3.500A) Processing sheet with id=AW1, first strand: chain 'z' and resid 177 through 181 Processing sheet with id=AW2, first strand: chain 'z' and resid 314 through 316 removed outlier: 6.387A pdb=" N GLN z 315 " --> pdb=" O ARG z 515 " (cutoff:3.500A) removed outlier: 8.476A pdb=" N TYR z 517 " --> pdb=" O GLN z 315 " (cutoff:3.500A) Processing sheet with id=AW3, first strand: chain 'z' and resid 314 through 316 removed outlier: 6.387A pdb=" N GLN z 315 " --> pdb=" O ARG z 515 " (cutoff:3.500A) removed outlier: 8.476A pdb=" N TYR z 517 " --> pdb=" O GLN z 315 " (cutoff:3.500A) removed outlier: 6.480A pdb=" N ILE z 425 " --> pdb=" O PHE z 413 " (cutoff:3.500A) removed outlier: 6.591A pdb=" N PHE z 413 " --> pdb=" O ILE z 425 " (cutoff:3.500A) Processing sheet with id=AW4, first strand: chain 'z' and resid 448 through 450 Processing sheet with id=AW5, first strand: chain 'A' and resid 98 through 100 removed outlier: 7.039A pdb=" N VAL A 99 " --> pdb=" O LEU B 127 " (cutoff:3.500A) removed outlier: 8.592A pdb=" N ALA B 129 " --> pdb=" O VAL A 99 " (cutoff:3.500A) Processing sheet with id=AW6, first strand: chain 'A' and resid 98 through 100 removed outlier: 7.039A pdb=" N VAL A 99 " --> pdb=" O LEU B 127 " (cutoff:3.500A) removed outlier: 8.592A pdb=" N ALA B 129 " --> pdb=" O VAL A 99 " (cutoff:3.500A) Processing sheet with id=AW7, first strand: chain 'A' and resid 148 through 149 removed outlier: 3.582A pdb=" N THR A 187 " --> pdb=" O GLY A 149 " (cutoff:3.500A) Processing sheet with id=AW8, first strand: chain 'A' and resid 148 through 149 removed outlier: 3.582A pdb=" N THR A 187 " --> pdb=" O GLY A 149 " (cutoff:3.500A) Processing sheet with id=AW9, first strand: chain 'A' and resid 263 through 267 removed outlier: 7.131A pdb=" N ARG A 476 " --> pdb=" O ALA A 455 " (cutoff:3.500A) removed outlier: 5.190A pdb=" N ALA A 455 " --> pdb=" O ARG A 476 " (cutoff:3.500A) Processing sheet with id=AX1, first strand: chain 'A' and resid 314 through 316 removed outlier: 6.263A pdb=" N GLN A 315 " --> pdb=" O ARG A 515 " (cutoff:3.500A) removed outlier: 8.412A pdb=" N TYR A 517 " --> pdb=" O GLN A 315 " (cutoff:3.500A) Processing sheet with id=AX2, first strand: chain 'A' and resid 314 through 316 removed outlier: 6.263A pdb=" N GLN A 315 " --> pdb=" O ARG A 515 " (cutoff:3.500A) removed outlier: 8.412A pdb=" N TYR A 517 " --> pdb=" O GLN A 315 " (cutoff:3.500A) removed outlier: 6.314A pdb=" N ILE A 376 " --> pdb=" O TYR A 424 " (cutoff:3.500A) removed outlier: 6.392A pdb=" N ILE A 425 " --> pdb=" O PHE A 413 " (cutoff:3.500A) removed outlier: 6.277A pdb=" N PHE A 413 " --> pdb=" O ILE A 425 " (cutoff:3.500A) Processing sheet with id=AX3, first strand: chain 'A' and resid 448 through 450 Processing sheet with id=AX4, first strand: chain 'B' and resid 95 through 100 removed outlier: 6.977A pdb=" N PHE C 125 " --> pdb=" O MET B 96 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N MET B 98 " --> pdb=" O PHE C 125 " (cutoff:3.500A) removed outlier: 6.976A pdb=" N LEU C 127 " --> pdb=" O MET B 98 " (cutoff:3.500A) removed outlier: 4.727A pdb=" N ARG B 100 " --> pdb=" O LEU C 127 " (cutoff:3.500A) removed outlier: 8.601A pdb=" N ALA C 129 " --> pdb=" O ARG B 100 " (cutoff:3.500A) Processing sheet with id=AX5, first strand: chain 'B' and resid 95 through 100 removed outlier: 6.977A pdb=" N PHE C 125 " --> pdb=" O MET B 96 " (cutoff:3.500A) removed outlier: 4.170A pdb=" N MET B 98 " --> pdb=" O PHE C 125 " (cutoff:3.500A) removed outlier: 6.976A pdb=" N LEU C 127 " --> pdb=" O MET B 98 " (cutoff:3.500A) removed outlier: 4.727A pdb=" N ARG B 100 " --> pdb=" O LEU C 127 " (cutoff:3.500A) removed outlier: 8.601A pdb=" N ALA C 129 " --> pdb=" O ARG B 100 " (cutoff:3.500A) Processing sheet with id=AX6, first strand: chain 'B' and resid 177 through 182 Processing sheet with id=AX7, first strand: chain 'B' and resid 263 through 267 removed outlier: 7.160A pdb=" N ARG B 476 " --> pdb=" O ALA B 455 " (cutoff:3.500A) removed outlier: 5.331A pdb=" N ALA B 455 " --> pdb=" O ARG B 476 " (cutoff:3.500A) Processing sheet with id=AX8, first strand: chain 'B' and resid 314 through 316 removed outlier: 6.320A pdb=" N GLN B 315 " --> pdb=" O ARG B 515 " (cutoff:3.500A) removed outlier: 8.253A pdb=" N TYR B 517 " --> pdb=" O GLN B 315 " (cutoff:3.500A) Processing sheet with id=AX9, first strand: chain 'B' and resid 314 through 316 removed outlier: 6.320A pdb=" N GLN B 315 " --> pdb=" O ARG B 515 " (cutoff:3.500A) removed outlier: 8.253A pdb=" N TYR B 517 " --> pdb=" O GLN B 315 " (cutoff:3.500A) removed outlier: 6.473A pdb=" N ILE B 425 " --> pdb=" O PHE B 413 " (cutoff:3.500A) removed outlier: 6.351A pdb=" N PHE B 413 " --> pdb=" O ILE B 425 " (cutoff:3.500A) Processing sheet with id=AY1, first strand: chain 'B' and resid 448 through 450 Processing sheet with id=AY2, first strand: chain 'C' and resid 98 through 100 removed outlier: 6.972A pdb=" N VAL C 99 " --> pdb=" O LEU D 127 " (cutoff:3.500A) Processing sheet with id=AY3, first strand: chain 'C' and resid 177 through 182 Processing sheet with id=AY4, first strand: chain 'C' and resid 263 through 267 removed outlier: 3.532A pdb=" N LEU C 266 " --> pdb=" O PHE C 473 " (cutoff:3.500A) removed outlier: 6.888A pdb=" N ARG C 476 " --> pdb=" O ALA C 455 " (cutoff:3.500A) removed outlier: 5.139A pdb=" N ALA C 455 " --> pdb=" O ARG C 476 " (cutoff:3.500A) Processing sheet with id=AY5, first strand: chain 'C' and resid 314 through 316 removed outlier: 6.255A pdb=" N GLN C 315 " --> pdb=" O ARG C 515 " (cutoff:3.500A) removed outlier: 8.256A pdb=" N TYR C 517 " --> pdb=" O GLN C 315 " (cutoff:3.500A) removed outlier: 6.161A pdb=" N PHE C 332 " --> pdb=" O LYS C 519 " (cutoff:3.500A) No H-bonds generated for sheet with id=AY5 Processing sheet with id=AY6, first strand: chain 'C' and resid 314 through 316 removed outlier: 6.255A pdb=" N GLN C 315 " --> pdb=" O ARG C 515 " (cutoff:3.500A) removed outlier: 8.256A pdb=" N TYR C 517 " --> pdb=" O GLN C 315 " (cutoff:3.500A) removed outlier: 6.729A pdb=" N ILE C 425 " --> pdb=" O PHE C 413 " (cutoff:3.500A) removed outlier: 6.177A pdb=" N PHE C 413 " --> pdb=" O ILE C 425 " (cutoff:3.500A) Processing sheet with id=AY7, first strand: chain 'C' and resid 448 through 450 Processing sheet with id=AY8, first strand: chain 'D' and resid 141 through 142 removed outlier: 4.848A pdb=" N LYS D 141 " --> pdb=" O TYR D 131 " (cutoff:3.500A) Processing sheet with id=AY9, first strand: chain 'D' and resid 177 through 182 Processing sheet with id=AZ1, first strand: chain 'D' and resid 263 through 267 removed outlier: 7.327A pdb=" N ARG D 476 " --> pdb=" O ALA D 455 " (cutoff:3.500A) removed outlier: 5.145A pdb=" N ALA D 455 " --> pdb=" O ARG D 476 " (cutoff:3.500A) Processing sheet with id=AZ2, first strand: chain 'D' and resid 314 through 316 removed outlier: 6.410A pdb=" N GLN D 315 " --> pdb=" O ARG D 515 " (cutoff:3.500A) removed outlier: 8.385A pdb=" N TYR D 517 " --> pdb=" O GLN D 315 " (cutoff:3.500A) Processing sheet with id=AZ3, first strand: chain 'D' and resid 314 through 316 removed outlier: 6.410A pdb=" N GLN D 315 " --> pdb=" O ARG D 515 " (cutoff:3.500A) removed outlier: 8.385A pdb=" N TYR D 517 " --> pdb=" O GLN D 315 " (cutoff:3.500A) removed outlier: 6.247A pdb=" N ILE D 376 " --> pdb=" O TYR D 424 " (cutoff:3.500A) removed outlier: 6.575A pdb=" N ILE D 425 " --> pdb=" O PHE D 413 " (cutoff:3.500A) removed outlier: 6.091A pdb=" N PHE D 413 " --> pdb=" O ILE D 425 " (cutoff:3.500A) Processing sheet with id=AZ4, first strand: chain 'D' and resid 448 through 450 Processing sheet with id=AZ5, first strand: chain 'E' and resid 41 through 43 removed outlier: 5.854A pdb=" N THR E 210 " --> pdb=" O THR E 226 " (cutoff:3.500A) removed outlier: 4.787A pdb=" N THR E 226 " --> pdb=" O THR E 210 " (cutoff:3.500A) Processing sheet with id=AZ6, first strand: chain 'E' and resid 110 through 111 Processing sheet with id=AZ7, first strand: chain 'E' and resid 175 through 177 removed outlier: 4.733A pdb=" N PHE E 157 " --> pdb=" O LEU E 177 " (cutoff:3.500A) Processing sheet with id=AZ8, first strand: chain 'E' and resid 346 through 349 removed outlier: 3.589A pdb=" N GLU E 346 " --> pdb=" O TYR E 286 " (cutoff:3.500A) Processing sheet with id=AZ9, first strand: chain 'E' and resid 313 through 314 removed outlier: 3.705A pdb=" N MET F 328 " --> pdb=" O TYR E 314 " (cutoff:3.500A) Processing sheet with id=BA1, first strand: chain 'E' and resid 328 through 329 removed outlier: 3.787A pdb=" N MET E 328 " --> pdb=" O TYR P 314 " (cutoff:3.500A) removed outlier: 3.594A pdb=" N LYS P 320 " --> pdb=" O ASP P 315 " (cutoff:3.500A) Processing sheet with id=BA2, first strand: chain 'E' and resid 331 through 337 Processing sheet with id=BA3, first strand: chain 'F' and resid 41 through 44 removed outlier: 6.218A pdb=" N ARG F 41 " --> pdb=" O ARG F 186 " (cutoff:3.500A) removed outlier: 7.746A pdb=" N ILE F 188 " --> pdb=" O ARG F 41 " (cutoff:3.500A) removed outlier: 7.213A pdb=" N PHE F 43 " --> pdb=" O ILE F 188 " (cutoff:3.500A) Processing sheet with id=BA4, first strand: chain 'F' and resid 110 through 111 Processing sheet with id=BA5, first strand: chain 'F' and resid 175 through 177 removed outlier: 3.940A pdb=" N PHE F 157 " --> pdb=" O LEU F 177 " (cutoff:3.500A) Processing sheet with id=BA6, first strand: chain 'F' and resid 347 through 350 removed outlier: 4.674A pdb=" N ARG F 282 " --> pdb=" O LEU F 350 " (cutoff:3.500A) removed outlier: 6.508A pdb=" N ARG F 283 " --> pdb=" O TYR G 334 " (cutoff:3.500A) removed outlier: 7.784A pdb=" N LEU G 336 " --> pdb=" O ARG F 283 " (cutoff:3.500A) removed outlier: 6.323A pdb=" N TRP F 285 " --> pdb=" O LEU G 336 " (cutoff:3.500A) removed outlier: 7.444A pdb=" N ARG G 338 " --> pdb=" O TRP F 285 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N VAL F 287 " --> pdb=" O ARG G 338 " (cutoff:3.500A) Processing sheet with id=BA7, first strand: chain 'F' and resid 314 through 315 removed outlier: 3.537A pdb=" N LYS F 320 " --> pdb=" O ASP F 315 " (cutoff:3.500A) Processing sheet with id=BA8, first strand: chain 'G' and resid 110 through 111 Processing sheet with id=BA9, first strand: chain 'G' and resid 171 through 176 removed outlier: 5.216A pdb=" N GLU G 173 " --> pdb=" O ILE G 161 " (cutoff:3.500A) removed outlier: 3.904A pdb=" N ILE G 161 " --> pdb=" O GLU G 173 " (cutoff:3.500A) Processing sheet with id=BB1, first strand: chain 'G' and resid 182 through 187 removed outlier: 6.852A pdb=" N GLU G 187 " --> pdb=" O LYS G 203 " (cutoff:3.500A) removed outlier: 4.271A pdb=" N LYS G 203 " --> pdb=" O GLU G 187 " (cutoff:3.500A) Processing sheet with id=BB2, first strand: chain 'G' and resid 346 through 349 Processing sheet with id=BB3, first strand: chain 'H' and resid 41 through 45 removed outlier: 7.321A pdb=" N GLU H 187 " --> pdb=" O LYS H 203 " (cutoff:3.500A) removed outlier: 4.797A pdb=" N LYS H 203 " --> pdb=" O GLU H 187 " (cutoff:3.500A) removed outlier: 3.525A pdb=" N PHE H 206 " --> pdb=" O ILE H 230 " (cutoff:3.500A) Processing sheet with id=BB4, first strand: chain 'H' and resid 110 through 112 removed outlier: 4.315A pdb=" N LYS H 445 " --> pdb=" O ASN H 112 " (cutoff:3.500A) Processing sheet with id=BB5, first strand: chain 'H' and resid 175 through 176 Processing sheet with id=BB6, first strand: chain 'H' and resid 346 through 349 Processing sheet with id=BB7, first strand: chain 'H' and resid 314 through 315 removed outlier: 3.706A pdb=" N LYS H 320 " --> pdb=" O ASP H 315 " (cutoff:3.500A) Processing sheet with id=BB8, first strand: chain 'I' and resid 41 through 45 Processing sheet with id=BB9, first strand: chain 'I' and resid 110 through 111 Processing sheet with id=BC1, first strand: chain 'I' and resid 175 through 176 Processing sheet with id=BC2, first strand: chain 'I' and resid 215 through 216 Processing sheet with id=BC3, first strand: chain 'I' and resid 346 through 349 Processing sheet with id=BC4, first strand: chain 'I' and resid 320 through 321 removed outlier: 3.615A pdb=" N LYS I 320 " --> pdb=" O ASP I 315 " (cutoff:3.500A) removed outlier: 4.196A pdb=" N MET J 328 " --> pdb=" O TYR I 314 " (cutoff:3.500A) Processing sheet with id=BC5, first strand: chain 'J' and resid 41 through 45 removed outlier: 5.915A pdb=" N ARG J 41 " --> pdb=" O ARG J 186 " (cutoff:3.500A) removed outlier: 7.448A pdb=" N ILE J 188 " --> pdb=" O ARG J 41 " (cutoff:3.500A) removed outlier: 7.601A pdb=" N PHE J 43 " --> pdb=" O ILE J 188 " (cutoff:3.500A) Processing sheet with id=BC6, first strand: chain 'J' and resid 110 through 111 Processing sheet with id=BC7, first strand: chain 'J' and resid 171 through 177 removed outlier: 5.603A pdb=" N GLU J 173 " --> pdb=" O ILE J 161 " (cutoff:3.500A) removed outlier: 5.022A pdb=" N ILE J 161 " --> pdb=" O GLU J 173 " (cutoff:3.500A) Processing sheet with id=BC8, first strand: chain 'J' and resid 346 through 349 Processing sheet with id=BC9, first strand: chain 'J' and resid 313 through 315 removed outlier: 3.561A pdb=" N LYS J 320 " --> pdb=" O ASP J 315 " (cutoff:3.500A) Processing sheet with id=BD1, first strand: chain 'K' and resid 41 through 43 Processing sheet with id=BD2, first strand: chain 'K' and resid 110 through 111 Processing sheet with id=BD3, first strand: chain 'K' and resid 175 through 177 removed outlier: 4.479A pdb=" N PHE K 157 " --> pdb=" O LEU K 177 " (cutoff:3.500A) Processing sheet with id=BD4, first strand: chain 'K' and resid 346 through 349 removed outlier: 3.622A pdb=" N TYR K 286 " --> pdb=" O GLU K 346 " (cutoff:3.500A) removed outlier: 6.663A pdb=" N ASP K 281 " --> pdb=" O GLU L 332 " (cutoff:3.500A) removed outlier: 7.753A pdb=" N TYR L 334 " --> pdb=" O ASP K 281 " (cutoff:3.500A) removed outlier: 6.245A pdb=" N ARG K 283 " --> pdb=" O TYR L 334 " (cutoff:3.500A) removed outlier: 7.960A pdb=" N LEU L 336 " --> pdb=" O ARG K 283 " (cutoff:3.500A) removed outlier: 6.243A pdb=" N TRP K 285 " --> pdb=" O LEU L 336 " (cutoff:3.500A) removed outlier: 6.716A pdb=" N ARG L 338 " --> pdb=" O TRP K 285 " (cutoff:3.500A) removed outlier: 6.674A pdb=" N VAL K 287 " --> pdb=" O ARG L 338 " (cutoff:3.500A) Processing sheet with id=BD5, first strand: chain 'K' and resid 314 through 315 Processing sheet with id=BD6, first strand: chain 'L' and resid 41 through 44 removed outlier: 6.359A pdb=" N ARG L 41 " --> pdb=" O ARG L 186 " (cutoff:3.500A) removed outlier: 8.045A pdb=" N ILE L 188 " --> pdb=" O ARG L 41 " (cutoff:3.500A) removed outlier: 7.454A pdb=" N PHE L 43 " --> pdb=" O ILE L 188 " (cutoff:3.500A) Processing sheet with id=BD7, first strand: chain 'L' and resid 110 through 111 Processing sheet with id=BD8, first strand: chain 'L' and resid 175 through 176 Processing sheet with id=BD9, first strand: chain 'L' and resid 348 through 349 removed outlier: 6.293A pdb=" N ASP L 281 " --> pdb=" O GLU M 332 " (cutoff:3.500A) removed outlier: 7.478A pdb=" N TYR M 334 " --> pdb=" O ASP L 281 " (cutoff:3.500A) removed outlier: 6.439A pdb=" N ARG L 283 " --> pdb=" O TYR M 334 " (cutoff:3.500A) removed outlier: 7.928A pdb=" N LEU M 336 " --> pdb=" O ARG L 283 " (cutoff:3.500A) removed outlier: 6.598A pdb=" N TRP L 285 " --> pdb=" O LEU M 336 " (cutoff:3.500A) removed outlier: 7.827A pdb=" N ARG M 338 " --> pdb=" O TRP L 285 " (cutoff:3.500A) removed outlier: 6.761A pdb=" N VAL L 287 " --> pdb=" O ARG M 338 " (cutoff:3.500A) Processing sheet with id=BE1, first strand: chain 'L' and resid 314 through 315 Processing sheet with id=BE2, first strand: chain 'M' and resid 41 through 45 removed outlier: 5.931A pdb=" N ARG M 41 " --> pdb=" O ARG M 186 " (cutoff:3.500A) removed outlier: 7.636A pdb=" N ILE M 188 " --> pdb=" O ARG M 41 " (cutoff:3.500A) removed outlier: 6.742A pdb=" N PHE M 43 " --> pdb=" O ILE M 188 " (cutoff:3.500A) Processing sheet with id=BE3, first strand: chain 'M' and resid 110 through 111 Processing sheet with id=BE4, first strand: chain 'M' and resid 171 through 176 removed outlier: 5.426A pdb=" N GLU M 173 " --> pdb=" O ILE M 161 " (cutoff:3.500A) removed outlier: 4.374A pdb=" N ILE M 161 " --> pdb=" O GLU M 173 " (cutoff:3.500A) Processing sheet with id=BE5, first strand: chain 'M' and resid 346 through 349 removed outlier: 6.847A pdb=" N ASP M 281 " --> pdb=" O GLU N 332 " (cutoff:3.500A) removed outlier: 7.974A pdb=" N TYR N 334 " --> pdb=" O ASP M 281 " (cutoff:3.500A) removed outlier: 6.123A pdb=" N ARG M 283 " --> pdb=" O TYR N 334 " (cutoff:3.500A) removed outlier: 7.945A pdb=" N LEU N 336 " --> pdb=" O ARG M 283 " (cutoff:3.500A) removed outlier: 6.305A pdb=" N TRP M 285 " --> pdb=" O LEU N 336 " (cutoff:3.500A) removed outlier: 7.253A pdb=" N ARG N 338 " --> pdb=" O TRP M 285 " (cutoff:3.500A) removed outlier: 6.291A pdb=" N VAL M 287 " --> pdb=" O ARG N 338 " (cutoff:3.500A) Processing sheet with id=BE6, first strand: chain 'M' and resid 314 through 315 removed outlier: 3.718A pdb=" N LYS M 320 " --> pdb=" O ASP M 315 " (cutoff:3.500A) Processing sheet with id=BE7, first strand: chain 'N' and resid 110 through 111 Processing sheet with id=BE8, first strand: chain 'N' and resid 175 through 177 removed outlier: 4.530A pdb=" N PHE N 157 " --> pdb=" O LEU N 177 " (cutoff:3.500A) Processing sheet with id=BE9, first strand: chain 'N' and resid 182 through 185 Processing sheet with id=BF1, first strand: chain 'N' and resid 346 through 349 removed outlier: 6.801A pdb=" N ASP N 281 " --> pdb=" O GLU O 332 " (cutoff:3.500A) removed outlier: 7.462A pdb=" N TYR O 334 " --> pdb=" O ASP N 281 " (cutoff:3.500A) removed outlier: 6.016A pdb=" N ARG N 283 " --> pdb=" O TYR O 334 " (cutoff:3.500A) removed outlier: 7.446A pdb=" N LEU O 336 " --> pdb=" O ARG N 283 " (cutoff:3.500A) removed outlier: 6.045A pdb=" N TRP N 285 " --> pdb=" O LEU O 336 " (cutoff:3.500A) removed outlier: 7.339A pdb=" N ARG O 338 " --> pdb=" O TRP N 285 " (cutoff:3.500A) removed outlier: 6.240A pdb=" N VAL N 287 " --> pdb=" O ARG O 338 " (cutoff:3.500A) Processing sheet with id=BF2, first strand: chain 'N' and resid 313 through 314 Processing sheet with id=BF3, first strand: chain 'O' and resid 41 through 43 Processing sheet with id=BF4, first strand: chain 'O' and resid 110 through 111 Processing sheet with id=BF5, first strand: chain 'O' and resid 171 through 176 removed outlier: 4.102A pdb=" N ILE O 161 " --> pdb=" O LYS O 172 " (cutoff:3.500A) removed outlier: 4.524A pdb=" N LEU O 174 " --> pdb=" O HIS O 159 " (cutoff:3.500A) removed outlier: 6.204A pdb=" N HIS O 159 " --> pdb=" O LEU O 174 " (cutoff:3.500A) removed outlier: 4.891A pdb=" N ARG O 176 " --> pdb=" O PHE O 157 " (cutoff:3.500A) removed outlier: 7.325A pdb=" N PHE O 157 " --> pdb=" O ARG O 176 " (cutoff:3.500A) Processing sheet with id=BF6, first strand: chain 'O' and resid 347 through 349 removed outlier: 6.661A pdb=" N ASP O 281 " --> pdb=" O GLU P 332 " (cutoff:3.500A) removed outlier: 7.694A pdb=" N TYR P 334 " --> pdb=" O ASP O 281 " (cutoff:3.500A) removed outlier: 6.564A pdb=" N ARG O 283 " --> pdb=" O TYR P 334 " (cutoff:3.500A) removed outlier: 8.059A pdb=" N LEU P 336 " --> pdb=" O ARG O 283 " (cutoff:3.500A) removed outlier: 6.304A pdb=" N TRP O 285 " --> pdb=" O LEU P 336 " (cutoff:3.500A) removed outlier: 7.621A pdb=" N ARG P 338 " --> pdb=" O TRP O 285 " (cutoff:3.500A) removed outlier: 6.808A pdb=" N VAL O 287 " --> pdb=" O ARG P 338 " (cutoff:3.500A) Processing sheet with id=BF7, first strand: chain 'O' and resid 320 through 321 removed outlier: 3.607A pdb=" N LYS O 320 " --> pdb=" O ASP O 315 " (cutoff:3.500A) removed outlier: 4.813A pdb=" N MET P 328 " --> pdb=" O TYR O 314 " (cutoff:3.500A) Processing sheet with id=BF8, first strand: chain 'P' and resid 41 through 45 removed outlier: 6.398A pdb=" N ARG P 41 " --> pdb=" O ARG P 186 " (cutoff:3.500A) removed outlier: 7.612A pdb=" N ILE P 188 " --> pdb=" O ARG P 41 " (cutoff:3.500A) removed outlier: 7.442A pdb=" N PHE P 43 " --> pdb=" O ILE P 188 " (cutoff:3.500A) Processing sheet with id=BF9, first strand: chain 'P' and resid 110 through 111 Processing sheet with id=BG1, first strand: chain 'P' and resid 175 through 176 6381 hydrogen bonds defined for protein. 17889 hydrogen bond angles defined for protein. Restraints generated for nucleic acids: 0 hydrogen bonds 0 hydrogen bond angles 0 basepair planarities 0 basepair parallelities 0 stacking parallelities Total time for adding SS restraints: 137.65 Time building geometry restraints manager: 51.95 seconds NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Histogram of bond lengths: 1.17 - 1.31: 27166 1.31 - 1.45: 45091 1.45 - 1.58: 79460 1.58 - 1.72: 232 1.72 - 1.86: 1335 Bond restraints: 153284 Sorted by residual: bond pdb=" CA ILE k 107 " pdb=" C ILE k 107 " ideal model delta sigma weight residual 1.526 1.465 0.061 9.00e-03 1.23e+04 4.55e+01 bond pdb=" CB HIS y 72 " pdb=" CG HIS y 72 " ideal model delta sigma weight residual 1.497 1.416 0.081 1.40e-02 5.10e+03 3.35e+01 bond pdb=" CB HIS g 72 " pdb=" CG HIS g 72 " ideal model delta sigma weight residual 1.497 1.416 0.081 1.40e-02 5.10e+03 3.34e+01 bond pdb=" CB HIS e 145 " pdb=" CG HIS e 145 " ideal model delta sigma weight residual 1.497 1.423 0.074 1.40e-02 5.10e+03 2.80e+01 bond pdb=" CB LEU q 127 " pdb=" CG LEU q 127 " ideal model delta sigma weight residual 1.530 1.635 -0.105 2.00e-02 2.50e+03 2.78e+01 ... (remaining 153279 not shown) Histogram of bond angle deviations from ideal: 93.41 - 101.92: 566 101.92 - 110.43: 42256 110.43 - 118.94: 81924 118.94 - 127.45: 81476 127.45 - 135.96: 1050 Bond angle restraints: 207272 Sorted by residual: angle pdb=" C LYS L 227 " pdb=" N ILE L 228 " pdb=" CA ILE L 228 " ideal model delta sigma weight residual 122.11 108.21 13.90 1.12e+00 7.97e-01 1.54e+02 angle pdb=" N SER i 119 " pdb=" CA SER i 119 " pdb=" C SER i 119 " ideal model delta sigma weight residual 108.22 98.24 9.98 9.00e-01 1.23e+00 1.23e+02 angle pdb=" N ALA I 224 " pdb=" CA ALA I 224 " pdb=" C ALA I 224 " ideal model delta sigma weight residual 111.36 123.33 -11.97 1.09e+00 8.42e-01 1.21e+02 angle pdb=" CA ASP F 348 " pdb=" CB ASP F 348 " pdb=" CG ASP F 348 " ideal model delta sigma weight residual 112.60 123.44 -10.84 1.00e+00 1.00e+00 1.17e+02 angle pdb=" N VAL I 88 " pdb=" CA VAL I 88 " pdb=" C VAL I 88 " ideal model delta sigma weight residual 110.82 100.46 10.36 9.70e-01 1.06e+00 1.14e+02 ... (remaining 207267 not shown) Histogram of dihedral angle deviations from ideal: 0.00 - 24.07: 89633 24.07 - 48.14: 1782 48.14 - 72.22: 426 72.22 - 96.29: 119 96.29 - 120.36: 3 Dihedral angle restraints: 91963 sinusoidal: 36135 harmonic: 55828 Sorted by residual: dihedral pdb=" CA PRO p 164 " pdb=" C PRO p 164 " pdb=" N ALA p 165 " pdb=" CA ALA p 165 " ideal model delta harmonic sigma weight residual -180.00 -59.64 -120.36 0 5.00e+00 4.00e-02 5.79e+02 dihedral pdb=" CA GLY O 430 " pdb=" C GLY O 430 " pdb=" N ILE O 431 " pdb=" CA ILE O 431 " ideal model delta harmonic sigma weight residual 180.00 78.82 101.18 0 5.00e+00 4.00e-02 4.10e+02 dihedral pdb=" CA PRO g 104 " pdb=" C PRO g 104 " pdb=" N ASN g 105 " pdb=" CA ASN g 105 " ideal model delta harmonic sigma weight residual 180.00 81.19 98.81 0 5.00e+00 4.00e-02 3.91e+02 ... (remaining 91960 not shown) Histogram of chiral volume deviations from ideal: 0.000 - 0.096: 15730 0.096 - 0.192: 5727 0.192 - 0.288: 981 0.288 - 0.384: 162 0.384 - 0.480: 33 Chirality restraints: 22633 Sorted by residual: chirality pdb=" CA ASN N 442 " pdb=" N ASN N 442 " pdb=" C ASN N 442 " pdb=" CB ASN N 442 " both_signs ideal model delta sigma weight residual False 2.51 2.03 0.48 2.00e-01 2.50e+01 5.76e+00 chirality pdb=" CA ASP x 199 " pdb=" N ASP x 199 " pdb=" C ASP x 199 " pdb=" CB ASP x 199 " both_signs ideal model delta sigma weight residual False 2.51 2.04 0.47 2.00e-01 2.50e+01 5.60e+00 chirality pdb=" CA ASP q 199 " pdb=" N ASP q 199 " pdb=" C ASP q 199 " pdb=" CB ASP q 199 " both_signs ideal model delta sigma weight residual False 2.51 2.05 0.46 2.00e-01 2.50e+01 5.38e+00 ... (remaining 22630 not shown) Planarity restraints: 27252 Sorted by residual: delta sigma weight rms_deltas residual plane pdb=" CB TYR r 312 " 0.092 2.00e-02 2.50e+03 4.83e-02 4.66e+01 pdb=" CG TYR r 312 " -0.046 2.00e-02 2.50e+03 pdb=" CD1 TYR r 312 " -0.032 2.00e-02 2.50e+03 pdb=" CD2 TYR r 312 " -0.037 2.00e-02 2.50e+03 pdb=" CE1 TYR r 312 " -0.022 2.00e-02 2.50e+03 pdb=" CE2 TYR r 312 " -0.020 2.00e-02 2.50e+03 pdb=" CZ TYR r 312 " -0.003 2.00e-02 2.50e+03 pdb=" OH TYR r 312 " 0.069 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TYR l 148 " -0.085 2.00e-02 2.50e+03 4.67e-02 4.36e+01 pdb=" CG TYR l 148 " 0.024 2.00e-02 2.50e+03 pdb=" CD1 TYR l 148 " 0.039 2.00e-02 2.50e+03 pdb=" CD2 TYR l 148 " 0.041 2.00e-02 2.50e+03 pdb=" CE1 TYR l 148 " 0.024 2.00e-02 2.50e+03 pdb=" CE2 TYR l 148 " 0.028 2.00e-02 2.50e+03 pdb=" CZ TYR l 148 " 0.002 2.00e-02 2.50e+03 pdb=" OH TYR l 148 " -0.072 2.00e-02 2.50e+03 delta sigma weight rms_deltas residual plane pdb=" CB TYR J 86 " 0.074 2.00e-02 2.50e+03 4.64e-02 4.31e+01 pdb=" CG TYR J 86 " -0.006 2.00e-02 2.50e+03 pdb=" CD1 TYR J 86 " -0.036 2.00e-02 2.50e+03 pdb=" CD2 TYR J 86 " -0.034 2.00e-02 2.50e+03 pdb=" CE1 TYR J 86 " -0.031 2.00e-02 2.50e+03 pdb=" CE2 TYR J 86 " -0.036 2.00e-02 2.50e+03 pdb=" CZ TYR J 86 " -0.013 2.00e-02 2.50e+03 pdb=" OH TYR J 86 " 0.082 2.00e-02 2.50e+03 ... (remaining 27249 not shown) Histogram of nonbonded interaction distances: 1.85 - 2.46: 401 2.46 - 3.07: 110578 3.07 - 3.68: 235761 3.68 - 4.29: 371235 4.29 - 4.90: 576152 Nonbonded interactions: 1294127 Sorted by model distance: nonbonded pdb=" O LYS L 227 " pdb=" CG2 ILE L 228 " model vdw 1.850 3.460 nonbonded pdb=" CG2 ILE F 441 " pdb=" N ASN F 443 " model vdw 2.016 3.540 nonbonded pdb=" O ASN g 105 " pdb=" CG1 VAL g 412 " model vdw 2.085 3.460 nonbonded pdb=" O ARG q 344 " pdb=" CB TRP q 345 " model vdw 2.100 3.440 nonbonded pdb=" OD2 ASP I 16 " pdb=" CB PRO I 231 " model vdw 2.114 3.440 ... (remaining 1294122 not shown) NOTE: a complete listing of the restraints can be obtained by requesting output of .geo file. Find NCS groups from input model Found NCS groups: ncs_group { reference = (chain 'A' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 521)) selection = (chain 'B' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'C' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 304 or (resid 305 and (name N o \ r name CA or name C or name O or name CB )) or resid 306 through 448 or (resid 4 \ 49 and (name N or name CA or name C or name O or name CB )) or resid 450 through \ 521)) selection = (chain 'D' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'a' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'b' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'c' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'd' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'e' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'f' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 521)) selection = (chain 'g' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'h' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'i' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'j' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'k' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 448 or (resid 449 and (name N or name CA or name C or name O or name CB )) or r \ esid 450 through 521)) selection = (chain 'l' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'm' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'n' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 521)) selection = (chain 'o' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'p' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'q' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 448 or (resid 449 and (name N or name CA or name C or name O or name CB )) or r \ esid 450 through 521)) selection = (chain 'r' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 's' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 't' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'u' and (resid 92 through 235 or (resid 236 and (name N or name CA or nam \ e C or name O or name CB )) or resid 237 through 246 or (resid 247 and (name N o \ r name CA or name C or name O or name CB )) or resid 248 through 304 or (resid 3 \ 05 and (name N or name CA or name C or name O or name CB )) or resid 306 through \ 448 or (resid 449 and (name N or name CA or name C or name O or name CB )) or r \ esid 450 through 521)) selection = (chain 'v' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'w' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'x' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'y' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) selection = (chain 'z' and (resid 92 through 114 or (resid 115 and (name N or name CA or nam \ e C or name O or name CB )) or resid 116 through 235 or (resid 236 and (name N o \ r name CA or name C or name O or name CB )) or resid 237 through 246 or (resid 2 \ 47 and (name N or name CA or name C or name O or name CB )) or resid 248 through \ 304 or (resid 305 and (name N or name CA or name C or name O or name CB )) or r \ esid 306 through 448 or (resid 449 and (name N or name CA or name C or name O or \ name CB )) or resid 450 through 521)) } ncs_group { reference = (chain 'E' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 204 or (resid 205 and (name N or name CA or name C or name O or \ name CB )) or resid 206 through 228 or (resid 229 and (name N or name CA or name \ C or name O or name CB )) or resid 230 through 277 or (resid 278 through 279 an \ d (name N or name CA or name C or name O or name CB )) or resid 280 through 285 \ or (resid 286 and (name N or name CA or name C or name O or name CB )) or resid \ 287 through 369 or (resid 370 and (name N or name CA or name C or name O or name \ CB )) or resid 371 through 482 or (resid 483 and (name N or name CA or name C o \ r name O or name CB )) or resid 484 through 510)) selection = (chain 'F' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 204 or (resid 205 and (name N or name CA or name C or name O or \ name CB )) or resid 206 through 228 or (resid 229 and (name N or name CA or name \ C or name O or name CB )) or resid 230 through 277 or (resid 278 through 279 an \ d (name N or name CA or name C or name O or name CB )) or resid 280 through 285 \ or (resid 286 and (name N or name CA or name C or name O or name CB )) or resid \ 287 through 482 or (resid 483 and (name N or name CA or name C or name O or name \ CB )) or resid 484 through 510)) selection = (chain 'G' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 204 or (resid 205 and (name N or name CA or name C or name O or \ name CB )) or resid 206 through 228 or (resid 229 and (name N or name CA or name \ C or name O or name CB )) or resid 230 through 285 or (resid 286 and (name N or \ name CA or name C or name O or name CB )) or resid 287 through 482 or (resid 48 \ 3 and (name N or name CA or name C or name O or name CB )) or resid 484 through \ 510)) selection = (chain 'H' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 204 or (resid 205 and (name N or name CA or name C or name O or \ name CB )) or resid 206 through 228 or (resid 229 and (name N or name CA or name \ C or name O or name CB )) or resid 230 through 277 or (resid 278 through 279 an \ d (name N or name CA or name C or name O or name CB )) or resid 280 through 285 \ or (resid 286 and (name N or name CA or name C or name O or name CB )) or resid \ 287 through 369 or (resid 370 and (name N or name CA or name C or name O or name \ CB )) or resid 371 through 482 or (resid 483 and (name N or name CA or name C o \ r name O or name CB )) or resid 484 through 510)) selection = (chain 'I' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 228 or (resid 229 and (name N or name CA or name C or name O or \ name CB )) or resid 230 through 277 or (resid 278 through 279 and (name N or nam \ e CA or name C or name O or name CB )) or resid 280 through 285 or (resid 286 an \ d (name N or name CA or name C or name O or name CB )) or resid 287 through 369 \ or (resid 370 and (name N or name CA or name C or name O or name CB )) or resid \ 371 through 482 or (resid 483 and (name N or name CA or name C or name O or name \ CB )) or resid 484 through 510)) selection = (chain 'J' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 199 or (resid 20 \ 0 and (name N or name CA or name C or name O or name CB )) or resid 201 through \ 204 or (resid 205 and (name N or name CA or name C or name O or name CB )) or re \ sid 206 through 228 or (resid 229 and (name N or name CA or name C or name O or \ name CB )) or resid 230 through 277 or (resid 278 through 279 and (name N or nam \ e CA or name C or name O or name CB )) or resid 280 through 285 or (resid 286 an \ d (name N or name CA or name C or name O or name CB )) or resid 287 through 369 \ or (resid 370 and (name N or name CA or name C or name O or name CB )) or resid \ 371 through 482 or (resid 483 and (name N or name CA or name C or name O or name \ CB )) or resid 484 through 510)) selection = (chain 'K' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 183 or (resid 184 and (name N or \ name CA or name C or name O or name CB )) or resid 185 through 199 or (resid 20 \ 0 and (name N or name CA or name C or name O or name CB )) or resid 201 through \ 204 or (resid 205 and (name N or name CA or name C or name O or name CB )) or re \ sid 206 through 228 or (resid 229 and (name N or name CA or name C or name O or \ name CB )) or resid 230 through 277 or (resid 278 through 279 and (name N or nam \ e CA or name C or name O or name CB )) or resid 280 through 285 or (resid 286 an \ d (name N or name CA or name C or name O or name CB )) or resid 287 through 369 \ or (resid 370 and (name N or name CA or name C or name O or name CB )) or resid \ 371 through 482 or (resid 483 and (name N or name CA or name C or name O or name \ CB )) or resid 484 through 510)) selection = (chain 'L' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 204 or (resid 205 and (name N or name CA or name C or name O or \ name CB )) or resid 206 through 277 or (resid 278 through 279 and (name N or nam \ e CA or name C or name O or name CB )) or resid 280 through 369 or (resid 370 an \ d (name N or name CA or name C or name O or name CB )) or resid 371 through 482 \ or (resid 483 and (name N or name CA or name C or name O or name CB )) or resid \ 484 through 510)) selection = (chain 'M' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 204 or (resid 205 and (name N or name CA or name C or name O or \ name CB )) or resid 206 through 228 or (resid 229 and (name N or name CA or name \ C or name O or name CB )) or resid 230 through 277 or (resid 278 through 279 an \ d (name N or name CA or name C or name O or name CB )) or resid 280 through 285 \ or (resid 286 and (name N or name CA or name C or name O or name CB )) or resid \ 287 through 369 or (resid 370 and (name N or name CA or name C or name O or name \ CB )) or resid 371 through 482 or (resid 483 and (name N or name CA or name C o \ r name O or name CB )) or resid 484 through 510)) selection = (chain 'N' and (resid 7 through 162 or (resid 163 and (name N or name CA or name \ C or name O or name CB )) or resid 164 through 183 or (resid 184 and (name N or \ name CA or name C or name O or name CB )) or resid 185 through 199 or (resid 20 \ 0 and (name N or name CA or name C or name O or name CB )) or resid 201 through \ 204 or (resid 205 and (name N or name CA or name C or name O or name CB )) or re \ sid 206 through 228 or (resid 229 and (name N or name CA or name C or name O or \ name CB )) or resid 230 through 277 or (resid 278 through 279 and (name N or nam \ e CA or name C or name O or name CB )) or resid 280 through 285 or (resid 286 an \ d (name N or name CA or name C or name O or name CB )) or resid 287 through 369 \ or (resid 370 and (name N or name CA or name C or name O or name CB )) or resid \ 371 through 510)) selection = (chain 'O' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 199 or (resid 200 and (name N or name CA or name C or name O or name CB )) or re \ sid 201 through 204 or (resid 205 and (name N or name CA or name C or name O or \ name CB )) or resid 206 through 228 or (resid 229 and (name N or name CA or name \ C or name O or name CB )) or resid 230 through 277 or (resid 278 through 279 an \ d (name N or name CA or name C or name O or name CB )) or resid 280 through 285 \ or (resid 286 and (name N or name CA or name C or name O or name CB )) or resid \ 287 through 369 or (resid 370 and (name N or name CA or name C or name O or name \ CB )) or resid 371 through 482 or (resid 483 and (name N or name CA or name C o \ r name O or name CB )) or resid 484 through 510)) selection = (chain 'P' and (resid 7 through 156 or (resid 157 and (name N or name CA or name \ C or name O or name CB )) or resid 158 through 162 or (resid 163 and (name N or \ name CA or name C or name O or name CB )) or resid 164 through 183 or (resid 18 \ 4 and (name N or name CA or name C or name O or name CB )) or resid 185 through \ 204 or (resid 205 and (name N or name CA or name C or name O or name CB )) or re \ sid 206 through 228 or (resid 229 and (name N or name CA or name C or name O or \ name CB )) or resid 230 through 277 or (resid 278 through 279 and (name N or nam \ e CA or name C or name O or name CB )) or resid 280 through 285 or (resid 286 an \ d (name N or name CA or name C or name O or name CB )) or resid 287 through 369 \ or (resid 370 and (name N or name CA or name C or name O or name CB )) or resid \ 371 through 482 or (resid 483 and (name N or name CA or name C or name O or name \ CB )) or resid 484 through 510)) } Set up NCS constraints No NCS constraints will be used in refinement. Set refine NCS operators Adjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 mean=1.00 Load rotamer database and sin/cos tables Set ADP refinement strategy ADPs will be refined as group one per residue Make a string to write initial .geo file Internal consistency checks Time: Set random seed: 0.000 Set model cs if undefined: 0.000 Decide on map wrapping: 0.000 Normalize map: mean=0, sd=1: 6.800 Set stop_for_unknowns flag: 0.000 Assert model is a single copy model: 0.000 Assert all atoms have isotropic ADPs: 0.010 Construct map_model_manager: 0.150 Extract box with map and model: 29.450 Check model and map are aligned: 1.600 Set scattering table: 1.070 Process input model: 387.890 Find NCS groups from input model: 11.840 Set up NCS constraints: 0.650 Set refine NCS operators: 0.000 Adjust number of macro_cycles: 0.000 Reset NCS operators: 0.000 Extract rigid body selections: 0.000 Check and reset occupancies: 0.050 Load rotamer database and sin/cos tables:2.660 Set ADP refinement strategy: 0.000 Make a string to write initial .geo file:0.000 Internal consistency checks: 0.000 Total: 442.170 ------------------------------------------------------------------------------- Set refinement monitor ********************** ------------------------------------------------------------------------------- Setup refinement engine *********************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6848 moved from start: 0.0000 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.018 0.133 153284 Z= 1.170 Angle : 1.842 14.534 207272 Z= 1.251 Chirality : 0.098 0.480 22633 Planarity : 0.009 0.099 27252 Dihedral : 10.968 120.361 56363 Min Nonbonded Distance : 1.850 Molprobity Statistics. All-atom Clashscore : 6.87 Ramachandran Plot: Outliers : 0.60 % Allowed : 4.96 % Favored : 94.44 % Rotamer: Outliers : 0.26 % Allowed : 1.02 % Favored : 98.71 % Cbeta Deviations : 0.04 % Peptide Plane: Cis-proline : 2.36 % Cis-general : 0.25 % Twisted Proline : 0.00 % Twisted General : 0.02 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.66 (0.06), residues: 19365 helix: 0.12 (0.06), residues: 5933 sheet: -0.80 (0.09), residues: 2888 loop : -0.57 (0.06), residues: 10544 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.078 0.008 TRP q 247 HIS 0.015 0.003 HIS j 72 PHE 0.048 0.007 PHE q 404 TYR 0.092 0.008 TYR r 312 ARG 0.011 0.001 ARG d 341 *********************** REFINEMENT MACRO_CYCLE 1 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 9313 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 41 poor density : 9272 time to evaluate : 12.142 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.8092 (m-70) cc_final: 0.7820 (m-70) REVERT: a 83 GLN cc_start: 0.8597 (tp40) cc_final: 0.8015 (tm-30) REVERT: a 118 ASN cc_start: 0.9448 (p0) cc_final: 0.8947 (p0) REVERT: a 124 VAL cc_start: 0.8555 (p) cc_final: 0.8006 (p) REVERT: a 134 ASP cc_start: 0.8719 (t0) cc_final: 0.8224 (t0) REVERT: a 145 HIS cc_start: 0.8201 (t-90) cc_final: 0.6879 (t-90) REVERT: a 147 MET cc_start: 0.8266 (mmm) cc_final: 0.7867 (mmm) REVERT: a 151 ASP cc_start: 0.8818 (t0) cc_final: 0.8542 (t0) REVERT: a 182 PHE cc_start: 0.9490 (m-80) cc_final: 0.8940 (m-80) REVERT: a 204 ASP cc_start: 0.9455 (t0) cc_final: 0.9017 (t70) REVERT: a 226 GLU cc_start: 0.7996 (pt0) cc_final: 0.7303 (pt0) REVERT: a 249 GLU cc_start: 0.7969 (pt0) cc_final: 0.7168 (pt0) REVERT: a 250 MET cc_start: 0.8178 (ptp) cc_final: 0.7371 (ptp) REVERT: a 277 ASP cc_start: 0.9286 (m-30) cc_final: 0.8831 (p0) REVERT: a 298 ILE cc_start: 0.9730 (mt) cc_final: 0.9484 (mt) REVERT: a 321 MET cc_start: 0.9097 (mmt) cc_final: 0.8806 (mmp) REVERT: a 334 PHE cc_start: 0.9134 (m-80) cc_final: 0.8745 (m-80) REVERT: a 336 ASP cc_start: 0.8040 (t0) cc_final: 0.7759 (t0) REVERT: a 359 LYS cc_start: 0.9663 (mtpt) cc_final: 0.9454 (mtpt) REVERT: a 363 GLU cc_start: 0.9074 (tp30) cc_final: 0.8745 (pt0) REVERT: a 408 THR cc_start: 0.9349 (p) cc_final: 0.8886 (p) REVERT: a 457 THR cc_start: 0.8875 (m) cc_final: 0.8467 (p) REVERT: a 473 PHE cc_start: 0.8888 (m-80) cc_final: 0.8406 (m-80) REVERT: a 481 ILE cc_start: 0.9149 (pp) cc_final: 0.8724 (pp) REVERT: a 497 GLN cc_start: 0.8102 (mm-40) cc_final: 0.7496 (mm-40) REVERT: a 509 LYS cc_start: 0.8490 (mttt) cc_final: 0.7997 (mttt) REVERT: b 71 ASP cc_start: 0.7059 (t0) cc_final: 0.6049 (t0) REVERT: b 133 LYS cc_start: 0.7495 (mtpp) cc_final: 0.7158 (tptt) REVERT: b 145 HIS cc_start: 0.6584 (t-90) cc_final: 0.6099 (t-90) REVERT: b 153 MET cc_start: 0.8242 (mtm) cc_final: 0.7496 (mpp) REVERT: b 190 LEU cc_start: 0.9210 (mt) cc_final: 0.8845 (mt) REVERT: b 199 ASP cc_start: 0.7831 (t0) cc_final: 0.7377 (t0) REVERT: b 207 LYS cc_start: 0.9102 (mttt) cc_final: 0.8658 (mtpt) REVERT: b 211 GLU cc_start: 0.8349 (tp30) cc_final: 0.7850 (tp30) REVERT: b 212 ILE cc_start: 0.9625 (mt) cc_final: 0.9328 (mt) REVERT: b 216 MET cc_start: 0.9442 (mtm) cc_final: 0.9052 (tpp) REVERT: b 221 LEU cc_start: 0.9257 (mt) cc_final: 0.8718 (mt) REVERT: b 236 GLN cc_start: 0.8920 (mt0) cc_final: 0.8202 (mt0) REVERT: b 247 TRP cc_start: 0.8189 (m100) cc_final: 0.7983 (m100) REVERT: b 322 THR cc_start: 0.8581 (p) cc_final: 0.6968 (p) REVERT: b 323 LEU cc_start: 0.8153 (tp) cc_final: 0.7924 (tp) REVERT: b 349 SER cc_start: 0.9124 (t) cc_final: 0.8832 (p) REVERT: b 390 ASP cc_start: 0.9360 (t0) cc_final: 0.9109 (t70) REVERT: b 391 THR cc_start: 0.9189 (p) cc_final: 0.8952 (p) REVERT: b 426 ASP cc_start: 0.8618 (t0) cc_final: 0.8266 (t0) REVERT: b 427 GLN cc_start: 0.9334 (pt0) cc_final: 0.9110 (pm20) REVERT: b 459 LEU cc_start: 0.4980 (tp) cc_final: 0.4758 (tp) REVERT: b 463 ASP cc_start: 0.9100 (t0) cc_final: 0.8851 (p0) REVERT: b 468 GLN cc_start: 0.7923 (mm-40) cc_final: 0.7553 (mt0) REVERT: b 481 ILE cc_start: 0.9065 (mt) cc_final: 0.8283 (mm) REVERT: b 482 ASN cc_start: 0.8457 (t0) cc_final: 0.7844 (t0) REVERT: b 483 PRO cc_start: 0.9532 (Cg_exo) cc_final: 0.8895 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8752 (m-80) cc_final: 0.7409 (m-10) REVERT: b 486 GLU cc_start: 0.8669 (pm20) cc_final: 0.8358 (tm-30) REVERT: b 507 LEU cc_start: 0.7801 (tt) cc_final: 0.7570 (tt) REVERT: b 510 ASN cc_start: 0.9490 (t0) cc_final: 0.8974 (p0) REVERT: b 512 TYR cc_start: 0.8929 (m-80) cc_final: 0.8598 (m-80) REVERT: b 513 PHE cc_start: 0.9245 (m-80) cc_final: 0.8669 (m-80) REVERT: c 83 GLN cc_start: 0.9236 (tp40) cc_final: 0.8986 (tt0) REVERT: c 90 GLN cc_start: 0.8587 (mm-40) cc_final: 0.7746 (mp-120) REVERT: c 131 TYR cc_start: 0.9016 (p90) cc_final: 0.8781 (p90) REVERT: c 134 ASP cc_start: 0.7359 (t0) cc_final: 0.6992 (t0) REVERT: c 151 ASP cc_start: 0.8474 (t0) cc_final: 0.7648 (p0) REVERT: c 177 ILE cc_start: 0.9468 (mm) cc_final: 0.8952 (tp) REVERT: c 204 ASP cc_start: 0.9327 (t0) cc_final: 0.9103 (t70) REVERT: c 211 GLU cc_start: 0.8441 (tp30) cc_final: 0.8230 (tp30) REVERT: c 214 LYS cc_start: 0.8915 (mttt) cc_final: 0.8684 (tmtt) REVERT: c 250 MET cc_start: 0.7694 (mtp) cc_final: 0.6289 (mtt) REVERT: c 256 LYS cc_start: 0.8009 (pttt) cc_final: 0.7762 (ptpt) REVERT: c 259 ILE cc_start: 0.8728 (tp) cc_final: 0.8322 (tp) REVERT: c 265 GLN cc_start: 0.6840 (pt0) cc_final: 0.5703 (tm-30) REVERT: c 285 ASP cc_start: 0.7507 (m-30) cc_final: 0.7304 (m-30) REVERT: c 305 GLU cc_start: 0.9283 (tt0) cc_final: 0.9002 (tt0) REVERT: c 331 VAL cc_start: 0.7614 (p) cc_final: 0.7403 (m) REVERT: c 351 LYS cc_start: 0.9516 (mttm) cc_final: 0.9125 (mttm) REVERT: c 363 GLU cc_start: 0.8647 (tp30) cc_final: 0.8229 (tp30) REVERT: c 390 ASP cc_start: 0.7665 (t0) cc_final: 0.7016 (t0) REVERT: c 400 LEU cc_start: 0.9599 (mt) cc_final: 0.9395 (mt) REVERT: c 426 ASP cc_start: 0.8249 (t0) cc_final: 0.7688 (t0) REVERT: c 428 TYR cc_start: 0.9280 (m-80) cc_final: 0.8233 (m-80) REVERT: c 439 LYS cc_start: 0.8504 (tttm) cc_final: 0.7903 (ttmt) REVERT: c 442 ASN cc_start: 0.8099 (t0) cc_final: 0.7778 (t0) REVERT: c 463 ASP cc_start: 0.8481 (t0) cc_final: 0.7914 (t0) REVERT: c 465 LYS cc_start: 0.8715 (mtmm) cc_final: 0.8334 (tmtt) REVERT: c 482 ASN cc_start: 0.8673 (t0) cc_final: 0.8394 (m-40) REVERT: c 483 PRO cc_start: 0.9120 (Cg_exo) cc_final: 0.8880 (Cg_endo) REVERT: c 505 ASN cc_start: 0.8880 (p0) cc_final: 0.8559 (p0) REVERT: c 513 PHE cc_start: 0.8118 (m-80) cc_final: 0.7897 (m-10) REVERT: c 516 VAL cc_start: 0.8914 (t) cc_final: 0.7748 (t) REVERT: d 123 GLN cc_start: 0.8855 (pt0) cc_final: 0.8545 (pt0) REVERT: d 151 ASP cc_start: 0.7570 (t0) cc_final: 0.7327 (t70) REVERT: d 176 ASP cc_start: 0.9413 (t0) cc_final: 0.9186 (t0) REVERT: d 182 PHE cc_start: 0.8958 (m-80) cc_final: 0.8706 (m-80) REVERT: d 199 ASP cc_start: 0.6387 (t0) cc_final: 0.5721 (t0) REVERT: d 204 ASP cc_start: 0.9444 (t70) cc_final: 0.8837 (p0) REVERT: d 207 LYS cc_start: 0.9106 (mmtt) cc_final: 0.8794 (mtpp) REVERT: d 216 MET cc_start: 0.8913 (mtp) cc_final: 0.8555 (mtt) REVERT: d 257 GLN cc_start: 0.8177 (mt0) cc_final: 0.7854 (mm-40) REVERT: d 272 ILE cc_start: 0.8783 (mt) cc_final: 0.8324 (mt) REVERT: d 273 GLU cc_start: 0.9580 (mp0) cc_final: 0.9138 (mp0) REVERT: d 279 ARG cc_start: 0.8459 (ttm-80) cc_final: 0.8231 (tpp80) REVERT: d 289 GLU cc_start: 0.9199 (mp0) cc_final: 0.8994 (mp0) REVERT: d 294 LEU cc_start: 0.9882 (mt) cc_final: 0.9599 (mt) REVERT: d 303 ASN cc_start: 0.8950 (t0) cc_final: 0.8709 (t0) REVERT: d 309 TRP cc_start: 0.8915 (m100) cc_final: 0.8424 (m100) REVERT: d 323 LEU cc_start: 0.7871 (tp) cc_final: 0.7655 (tp) REVERT: d 334 PHE cc_start: 0.7970 (m-80) cc_final: 0.7591 (m-80) REVERT: d 336 ASP cc_start: 0.8041 (t0) cc_final: 0.7734 (t0) REVERT: d 348 GLU cc_start: 0.4791 (tt0) cc_final: 0.4035 (mt-10) REVERT: d 351 LYS cc_start: 0.9169 (mttt) cc_final: 0.8867 (mttt) REVERT: d 360 GLU cc_start: 0.9504 (mt-10) cc_final: 0.9301 (mm-30) REVERT: d 363 GLU cc_start: 0.8719 (tp30) cc_final: 0.8453 (tp30) REVERT: d 367 GLN cc_start: 0.8014 (mt0) cc_final: 0.7811 (tp40) REVERT: d 377 ILE cc_start: 0.9078 (mp) cc_final: 0.8782 (tp) REVERT: d 384 ASN cc_start: 0.9455 (m-40) cc_final: 0.9217 (m-40) REVERT: d 390 ASP cc_start: 0.8550 (t0) cc_final: 0.8151 (t0) REVERT: d 391 THR cc_start: 0.9269 (p) cc_final: 0.8925 (t) REVERT: d 428 TYR cc_start: 0.9550 (m-80) cc_final: 0.8790 (m-10) REVERT: d 468 GLN cc_start: 0.9242 (mm-40) cc_final: 0.9020 (mm-40) REVERT: d 482 ASN cc_start: 0.6448 (m110) cc_final: 0.5135 (m110) REVERT: d 497 GLN cc_start: 0.9326 (mm-40) cc_final: 0.8948 (mp10) REVERT: d 513 PHE cc_start: 0.9199 (m-80) cc_final: 0.8812 (m-80) REVERT: e 96 MET cc_start: 0.8655 (mtm) cc_final: 0.8440 (mtt) REVERT: e 105 ASN cc_start: 0.8992 (t0) cc_final: 0.8333 (p0) REVERT: e 119 SER cc_start: 0.9256 (p) cc_final: 0.8462 (m) REVERT: e 136 VAL cc_start: 0.7928 (t) cc_final: 0.6749 (t) REVERT: e 145 HIS cc_start: 0.8327 (t-90) cc_final: 0.7332 (t-90) REVERT: e 147 MET cc_start: 0.7325 (mmm) cc_final: 0.6978 (mmm) REVERT: e 153 MET cc_start: 0.8812 (mtm) cc_final: 0.8520 (mtp) REVERT: e 161 LYS cc_start: 0.8756 (pttt) cc_final: 0.7984 (tttm) REVERT: e 163 PHE cc_start: 0.6885 (m-80) cc_final: 0.6661 (m-80) REVERT: e 204 ASP cc_start: 0.9433 (t70) cc_final: 0.9214 (p0) REVERT: e 207 LYS cc_start: 0.8922 (mmtt) cc_final: 0.8716 (mttm) REVERT: e 213 LYS cc_start: 0.9420 (mttt) cc_final: 0.8978 (mtpp) REVERT: e 221 LEU cc_start: 0.9473 (mt) cc_final: 0.9254 (mt) REVERT: e 228 MET cc_start: 0.9412 (ttp) cc_final: 0.8308 (ttp) REVERT: e 236 GLN cc_start: 0.9435 (mm110) cc_final: 0.9146 (mm-40) REVERT: e 257 GLN cc_start: 0.8561 (pt0) cc_final: 0.7789 (pt0) REVERT: e 266 LEU cc_start: 0.9332 (mt) cc_final: 0.8833 (mt) REVERT: e 305 GLU cc_start: 0.9260 (tt0) cc_final: 0.9022 (tt0) REVERT: e 309 TRP cc_start: 0.9141 (m100) cc_final: 0.8615 (m100) REVERT: e 312 TYR cc_start: 0.9357 (t80) cc_final: 0.9141 (t80) REVERT: e 322 THR cc_start: 0.8410 (p) cc_final: 0.7983 (p) REVERT: e 359 LYS cc_start: 0.9439 (mtpt) cc_final: 0.9007 (mtpt) REVERT: e 360 GLU cc_start: 0.8995 (mm-30) cc_final: 0.8469 (mm-30) REVERT: e 363 GLU cc_start: 0.9182 (tp30) cc_final: 0.8799 (tp30) REVERT: e 381 ASN cc_start: 0.9490 (m-40) cc_final: 0.8717 (t0) REVERT: e 390 ASP cc_start: 0.8818 (t0) cc_final: 0.8476 (t0) REVERT: e 482 ASN cc_start: 0.9365 (t0) cc_final: 0.8937 (t0) REVERT: e 507 LEU cc_start: 0.8688 (tt) cc_final: 0.8031 (tt) REVERT: e 512 TYR cc_start: 0.9349 (m-80) cc_final: 0.9134 (m-10) REVERT: e 513 PHE cc_start: 0.8728 (m-80) cc_final: 0.8369 (m-80) REVERT: e 514 ARG cc_start: 0.9154 (mtp85) cc_final: 0.8855 (mtp85) REVERT: f 74 TYR cc_start: 0.9037 (m-80) cc_final: 0.8071 (m-10) REVERT: f 128 ARG cc_start: 0.8634 (mtt-85) cc_final: 0.8081 (ttm110) REVERT: f 147 MET cc_start: 0.7070 (mmm) cc_final: 0.6135 (mmm) REVERT: f 176 ASP cc_start: 0.5079 (p0) cc_final: 0.4316 (p0) REVERT: f 179 THR cc_start: 0.8061 (t) cc_final: 0.7827 (t) REVERT: f 189 TYR cc_start: 0.7705 (m-80) cc_final: 0.6698 (m-80) REVERT: f 199 ASP cc_start: 0.8189 (t0) cc_final: 0.7748 (t0) REVERT: f 228 MET cc_start: 0.8338 (ttm) cc_final: 0.8114 (ttm) REVERT: f 247 TRP cc_start: 0.8302 (m-10) cc_final: 0.7734 (m100) REVERT: f 250 MET cc_start: 0.9023 (mtp) cc_final: 0.8449 (mtp) REVERT: f 256 LYS cc_start: 0.7021 (pttt) cc_final: 0.6771 (pttt) REVERT: f 262 LYS cc_start: 0.8456 (mttt) cc_final: 0.8215 (ttmm) REVERT: f 267 LYS cc_start: 0.8862 (ttpp) cc_final: 0.8431 (ttpp) REVERT: f 276 GLN cc_start: 0.9304 (mt0) cc_final: 0.9063 (mt0) REVERT: f 293 ILE cc_start: 0.9283 (mt) cc_final: 0.8853 (mt) REVERT: f 297 GLU cc_start: 0.9383 (mm-30) cc_final: 0.8631 (mm-30) REVERT: f 303 ASN cc_start: 0.8889 (t0) cc_final: 0.8677 (t0) REVERT: f 304 ARG cc_start: 0.9340 (mmm160) cc_final: 0.9063 (mmm160) REVERT: f 310 ILE cc_start: 0.9643 (mt) cc_final: 0.9442 (mm) REVERT: f 311 ASN cc_start: 0.9416 (m-40) cc_final: 0.9118 (m-40) REVERT: f 318 LYS cc_start: 0.9312 (mttm) cc_final: 0.8793 (mtpp) REVERT: f 335 GLN cc_start: 0.8637 (mp10) cc_final: 0.8322 (tp40) REVERT: f 338 ILE cc_start: 0.9513 (mm) cc_final: 0.9067 (tp) REVERT: f 390 ASP cc_start: 0.9362 (t0) cc_final: 0.8955 (t70) REVERT: f 413 PHE cc_start: 0.8662 (t80) cc_final: 0.8431 (t80) REVERT: f 426 ASP cc_start: 0.9167 (t0) cc_final: 0.8414 (t0) REVERT: f 428 TYR cc_start: 0.9349 (m-80) cc_final: 0.9098 (m-80) REVERT: f 465 LYS cc_start: 0.7995 (pttt) cc_final: 0.7792 (pttt) REVERT: f 496 ILE cc_start: 0.9025 (tt) cc_final: 0.8818 (tt) REVERT: f 497 GLN cc_start: 0.9007 (pt0) cc_final: 0.8486 (pt0) REVERT: f 500 MET cc_start: 0.7380 (ppp) cc_final: 0.6754 (ppp) REVERT: f 502 SER cc_start: 0.9265 (t) cc_final: 0.8967 (p) REVERT: f 510 ASN cc_start: 0.9108 (t0) cc_final: 0.8092 (t0) REVERT: f 513 PHE cc_start: 0.9389 (m-80) cc_final: 0.8948 (m-80) REVERT: f 514 ARG cc_start: 0.7935 (mmm-85) cc_final: 0.7141 (mmm-85) REVERT: f 517 TYR cc_start: 0.8952 (m-80) cc_final: 0.8430 (m-80) REVERT: g 125 PHE cc_start: 0.8363 (m-80) cc_final: 0.7846 (m-80) REVERT: g 128 ARG cc_start: 0.8796 (mtt-85) cc_final: 0.7663 (mtt90) REVERT: g 131 TYR cc_start: 0.8648 (p90) cc_final: 0.8236 (p90) REVERT: g 133 LYS cc_start: 0.6011 (mtmt) cc_final: 0.5807 (pttt) REVERT: g 134 ASP cc_start: 0.8880 (t0) cc_final: 0.8390 (t0) REVERT: g 144 PHE cc_start: 0.9341 (m-80) cc_final: 0.9114 (m-80) REVERT: g 147 MET cc_start: 0.8995 (mmp) cc_final: 0.8693 (tpp) REVERT: g 173 THR cc_start: 0.9024 (m) cc_final: 0.8803 (p) REVERT: g 180 HIS cc_start: 0.8378 (t70) cc_final: 0.8008 (t70) REVERT: g 182 PHE cc_start: 0.9303 (m-80) cc_final: 0.8240 (m-80) REVERT: g 199 ASP cc_start: 0.8479 (t0) cc_final: 0.8150 (t0) REVERT: g 209 ASP cc_start: 0.9178 (m-30) cc_final: 0.8613 (m-30) REVERT: g 212 ILE cc_start: 0.9616 (mt) cc_final: 0.9263 (mt) REVERT: g 216 MET cc_start: 0.9628 (mtm) cc_final: 0.9070 (mtm) REVERT: g 250 MET cc_start: 0.8862 (mtp) cc_final: 0.7128 (ptp) REVERT: g 260 GLU cc_start: 0.8304 (mt-10) cc_final: 0.7740 (mt-10) REVERT: g 264 ARG cc_start: 0.8002 (mmm-85) cc_final: 0.7293 (mmt90) REVERT: g 266 LEU cc_start: 0.9283 (mt) cc_final: 0.9061 (mt) REVERT: g 273 GLU cc_start: 0.9434 (mp0) cc_final: 0.8398 (tp30) REVERT: g 277 ASP cc_start: 0.9545 (m-30) cc_final: 0.9215 (m-30) REVERT: g 311 ASN cc_start: 0.9122 (m-40) cc_final: 0.8630 (m-40) REVERT: g 315 GLN cc_start: 0.7606 (mt0) cc_final: 0.7163 (mp10) REVERT: g 323 LEU cc_start: 0.9221 (tp) cc_final: 0.8975 (tp) REVERT: g 334 PHE cc_start: 0.8314 (t80) cc_final: 0.7804 (t80) REVERT: g 350 PHE cc_start: 0.9297 (m-10) cc_final: 0.8910 (m-10) REVERT: g 366 ARG cc_start: 0.8784 (ttt-90) cc_final: 0.8130 (ttp80) REVERT: g 372 GLU cc_start: 0.8845 (pt0) cc_final: 0.8507 (mt-10) REVERT: g 398 GLN cc_start: 0.8634 (tm-30) cc_final: 0.7356 (tp40) REVERT: g 426 ASP cc_start: 0.8833 (t0) cc_final: 0.7171 (t0) REVERT: g 453 TYR cc_start: 0.8054 (t80) cc_final: 0.7808 (t80) REVERT: g 465 LYS cc_start: 0.8909 (mttt) cc_final: 0.8265 (tmtt) REVERT: g 482 ASN cc_start: 0.8116 (OUTLIER) cc_final: 0.7540 (t0) REVERT: g 484 PHE cc_start: 0.7519 (m-80) cc_final: 0.7259 (m-10) REVERT: g 500 MET cc_start: 0.8706 (mtt) cc_final: 0.8414 (ttm) REVERT: g 505 ASN cc_start: 0.9379 (t0) cc_final: 0.8899 (t0) REVERT: g 510 ASN cc_start: 0.8992 (t0) cc_final: 0.8616 (t0) REVERT: g 513 PHE cc_start: 0.9610 (m-80) cc_final: 0.8743 (m-80) REVERT: g 515 ARG cc_start: 0.8703 (ttp-170) cc_final: 0.7993 (ttp-170) REVERT: h 72 HIS cc_start: 0.7256 (m-70) cc_final: 0.7011 (m90) REVERT: h 103 ILE cc_start: 0.8101 (pt) cc_final: 0.7881 (pt) REVERT: h 153 MET cc_start: 0.9390 (mtm) cc_final: 0.8591 (mtm) REVERT: h 166 LEU cc_start: 0.9495 (mt) cc_final: 0.8922 (mt) REVERT: h 178 TYR cc_start: 0.9118 (m-80) cc_final: 0.8809 (m-10) REVERT: h 190 LEU cc_start: 0.9298 (mp) cc_final: 0.8862 (mp) REVERT: h 195 GLN cc_start: 0.8397 (tt0) cc_final: 0.8075 (tp40) REVERT: h 198 ILE cc_start: 0.8929 (tt) cc_final: 0.8577 (tt) REVERT: h 211 GLU cc_start: 0.9315 (tp30) cc_final: 0.8737 (tp30) REVERT: h 214 LYS cc_start: 0.9303 (ttpt) cc_final: 0.9075 (ttpp) REVERT: h 247 TRP cc_start: 0.8683 (m-10) cc_final: 0.7719 (m100) REVERT: h 249 GLU cc_start: 0.7101 (mt-10) cc_final: 0.5893 (mt-10) REVERT: h 250 MET cc_start: 0.8804 (mtp) cc_final: 0.8266 (mtm) REVERT: h 258 VAL cc_start: 0.9813 (m) cc_final: 0.9540 (m) REVERT: h 264 ARG cc_start: 0.7127 (mtt90) cc_final: 0.6218 (mmm160) REVERT: h 272 ILE cc_start: 0.7608 (tp) cc_final: 0.7003 (tt) REVERT: h 273 GLU cc_start: 0.9040 (mp0) cc_final: 0.8737 (mp0) REVERT: h 309 TRP cc_start: 0.8339 (m100) cc_final: 0.7311 (m100) REVERT: h 311 ASN cc_start: 0.9375 (m-40) cc_final: 0.8566 (m-40) REVERT: h 315 GLN cc_start: 0.7458 (mt0) cc_final: 0.6850 (mt0) REVERT: h 345 TRP cc_start: 0.8144 (p-90) cc_final: 0.7359 (p-90) REVERT: h 367 GLN cc_start: 0.8492 (mt0) cc_final: 0.8217 (mt0) REVERT: h 404 PHE cc_start: 0.6291 (m-80) cc_final: 0.5646 (m-80) REVERT: h 424 TYR cc_start: 0.7417 (m-80) cc_final: 0.7189 (m-80) REVERT: h 426 ASP cc_start: 0.9264 (t0) cc_final: 0.8794 (t0) REVERT: h 433 TYR cc_start: 0.8104 (p90) cc_final: 0.7826 (p90) REVERT: h 448 ILE cc_start: 0.8564 (tp) cc_final: 0.8086 (mt) REVERT: h 482 ASN cc_start: 0.9399 (t0) cc_final: 0.8381 (m110) REVERT: h 484 PHE cc_start: 0.8909 (m-80) cc_final: 0.7951 (m-10) REVERT: h 504 LEU cc_start: 0.8919 (mt) cc_final: 0.8676 (tt) REVERT: h 505 ASN cc_start: 0.9025 (m-40) cc_final: 0.8239 (m-40) REVERT: h 510 ASN cc_start: 0.8622 (t0) cc_final: 0.8235 (p0) REVERT: i 71 ASP cc_start: 0.8165 (t0) cc_final: 0.7540 (t0) REVERT: i 83 GLN cc_start: 0.6663 (tp40) cc_final: 0.6360 (tt0) REVERT: i 100 ARG cc_start: 0.8384 (ptt180) cc_final: 0.8143 (tmm-80) REVERT: i 103 ILE cc_start: 0.7849 (mt) cc_final: 0.6971 (mt) REVERT: i 104 PRO cc_start: 0.8991 (Cg_exo) cc_final: 0.7942 (Cg_endo) REVERT: i 110 ASP cc_start: 0.7117 (m-30) cc_final: 0.6878 (m-30) REVERT: i 141 LYS cc_start: 0.7868 (mmtm) cc_final: 0.7644 (mmmt) REVERT: i 145 HIS cc_start: 0.8736 (t-90) cc_final: 0.6664 (t-90) REVERT: i 147 MET cc_start: 0.7660 (mmm) cc_final: 0.7327 (mmm) REVERT: i 148 TYR cc_start: 0.7538 (m-80) cc_final: 0.6901 (m-80) REVERT: i 151 ASP cc_start: 0.8721 (t0) cc_final: 0.8374 (t0) REVERT: i 180 HIS cc_start: 0.9069 (t70) cc_final: 0.8674 (t-90) REVERT: i 182 PHE cc_start: 0.9329 (m-80) cc_final: 0.9073 (m-80) REVERT: i 191 GLN cc_start: 0.9648 (tt0) cc_final: 0.9154 (tm-30) REVERT: i 198 ILE cc_start: 0.9448 (mm) cc_final: 0.9233 (mm) REVERT: i 216 MET cc_start: 0.9601 (mtp) cc_final: 0.9209 (mtp) REVERT: i 257 GLN cc_start: 0.8614 (pt0) cc_final: 0.8243 (pt0) REVERT: i 264 ARG cc_start: 0.8994 (mtp85) cc_final: 0.8112 (mpt-90) REVERT: i 271 SER cc_start: 0.7745 (m) cc_final: 0.7074 (t) REVERT: i 272 ILE cc_start: 0.8250 (mt) cc_final: 0.7370 (mt) REVERT: i 273 GLU cc_start: 0.9075 (mp0) cc_final: 0.8509 (mp0) REVERT: i 289 GLU cc_start: 0.9178 (mm-30) cc_final: 0.8879 (mm-30) REVERT: i 290 LEU cc_start: 0.9566 (mt) cc_final: 0.9303 (pp) REVERT: i 291 SER cc_start: 0.9263 (t) cc_final: 0.8825 (p) REVERT: i 299 MET cc_start: 0.9267 (mmt) cc_final: 0.9046 (mmm) REVERT: i 315 GLN cc_start: 0.8089 (mt0) cc_final: 0.7446 (mt0) REVERT: i 332 PHE cc_start: 0.8642 (t80) cc_final: 0.6778 (t80) REVERT: i 340 ILE cc_start: 0.9327 (pt) cc_final: 0.8829 (mt) REVERT: i 359 LYS cc_start: 0.9756 (mtpt) cc_final: 0.9343 (mtpt) REVERT: i 381 ASN cc_start: 0.8912 (m-40) cc_final: 0.8645 (p0) REVERT: i 390 ASP cc_start: 0.8692 (t0) cc_final: 0.8336 (t70) REVERT: i 406 THR cc_start: 0.9112 (p) cc_final: 0.8878 (p) REVERT: i 426 ASP cc_start: 0.8448 (t0) cc_final: 0.8109 (t0) REVERT: i 433 TYR cc_start: 0.7820 (p90) cc_final: 0.7232 (p90) REVERT: i 444 MET cc_start: 0.8125 (mmm) cc_final: 0.7639 (mmp) REVERT: i 460 ARG cc_start: 0.7656 (mmm-85) cc_final: 0.7254 (mmm-85) REVERT: i 477 TYR cc_start: 0.8930 (p90) cc_final: 0.7815 (p90) REVERT: j 75 ASN cc_start: 0.9265 (t0) cc_final: 0.8616 (t0) REVERT: j 84 THR cc_start: 0.7643 (p) cc_final: 0.6694 (p) REVERT: j 89 THR cc_start: 0.8472 (t) cc_final: 0.7106 (t) REVERT: j 117 MET cc_start: 0.7926 (mmt) cc_final: 0.7717 (mmt) REVERT: j 144 PHE cc_start: 0.9383 (m-80) cc_final: 0.8661 (m-80) REVERT: j 147 MET cc_start: 0.8808 (mtm) cc_final: 0.8479 (mmm) REVERT: j 182 PHE cc_start: 0.9478 (m-80) cc_final: 0.9138 (m-80) REVERT: j 204 ASP cc_start: 0.9044 (t70) cc_final: 0.8465 (t70) REVERT: j 207 LYS cc_start: 0.9094 (mttt) cc_final: 0.8659 (mptt) REVERT: j 212 ILE cc_start: 0.9455 (mt) cc_final: 0.9199 (mt) REVERT: j 213 LYS cc_start: 0.9429 (mttt) cc_final: 0.9195 (ptpt) REVERT: j 217 GLU cc_start: 0.8798 (mt-10) cc_final: 0.8458 (mm-30) REVERT: j 221 LEU cc_start: 0.9258 (mt) cc_final: 0.8360 (mt) REVERT: j 236 GLN cc_start: 0.7628 (mm-40) cc_final: 0.7426 (mm-40) REVERT: j 257 GLN cc_start: 0.8616 (mp10) cc_final: 0.8302 (mp10) REVERT: j 272 ILE cc_start: 0.9099 (mt) cc_final: 0.8877 (mt) REVERT: j 276 GLN cc_start: 0.9416 (mt0) cc_final: 0.9122 (mt0) REVERT: j 305 GLU cc_start: 0.9279 (tt0) cc_final: 0.8493 (tt0) REVERT: j 309 TRP cc_start: 0.9509 (m100) cc_final: 0.8852 (m100) REVERT: j 324 THR cc_start: 0.9266 (m) cc_final: 0.8640 (p) REVERT: j 331 VAL cc_start: 0.8309 (p) cc_final: 0.7949 (t) REVERT: j 334 PHE cc_start: 0.7919 (m-80) cc_final: 0.6583 (m-80) REVERT: j 350 PHE cc_start: 0.9664 (m-10) cc_final: 0.9363 (m-10) REVERT: j 367 GLN cc_start: 0.8821 (mt0) cc_final: 0.8066 (mt0) REVERT: j 374 ASN cc_start: 0.8859 (p0) cc_final: 0.8588 (p0) REVERT: j 376 ILE cc_start: 0.9252 (mt) cc_final: 0.8945 (tp) REVERT: j 390 ASP cc_start: 0.8802 (t0) cc_final: 0.8581 (t0) REVERT: j 395 TYR cc_start: 0.7142 (t80) cc_final: 0.6890 (t80) REVERT: j 404 PHE cc_start: 0.7748 (m-80) cc_final: 0.7107 (m-80) REVERT: j 412 VAL cc_start: 0.9415 (m) cc_final: 0.8801 (m) REVERT: j 453 TYR cc_start: 0.8805 (t80) cc_final: 0.8463 (t80) REVERT: j 490 GLN cc_start: 0.8092 (pm20) cc_final: 0.7781 (mp10) REVERT: j 497 GLN cc_start: 0.8491 (pt0) cc_final: 0.8290 (mp10) REVERT: j 513 PHE cc_start: 0.9506 (m-80) cc_final: 0.8916 (m-80) REVERT: j 514 ARG cc_start: 0.8835 (mtp85) cc_final: 0.8375 (ttm-80) REVERT: j 521 ILE cc_start: 0.7992 (tt) cc_final: 0.7526 (tt) REVERT: k 98 MET cc_start: 0.8404 (ppp) cc_final: 0.7182 (tmm) REVERT: k 101 ARG cc_start: 0.8915 (tpp-160) cc_final: 0.7689 (tpp-160) REVERT: k 118 ASN cc_start: 0.9502 (p0) cc_final: 0.9055 (p0) REVERT: k 123 GLN cc_start: 0.8022 (pt0) cc_final: 0.7329 (pt0) REVERT: k 199 ASP cc_start: 0.6623 (t0) cc_final: 0.6085 (t0) REVERT: k 213 LYS cc_start: 0.9185 (mttt) cc_final: 0.8884 (mtpt) REVERT: k 214 LYS cc_start: 0.9121 (tttt) cc_final: 0.8413 (ptmm) REVERT: k 247 TRP cc_start: 0.8672 (m-10) cc_final: 0.8384 (m-90) REVERT: k 273 GLU cc_start: 0.9286 (mp0) cc_final: 0.9017 (mp0) REVERT: k 279 ARG cc_start: 0.8888 (tpt170) cc_final: 0.8076 (tpp80) REVERT: k 293 ILE cc_start: 0.9469 (mt) cc_final: 0.9260 (mt) REVERT: k 297 GLU cc_start: 0.9493 (mm-30) cc_final: 0.9085 (mm-30) REVERT: k 304 ARG cc_start: 0.9326 (mmm160) cc_final: 0.9070 (tpp80) REVERT: k 309 TRP cc_start: 0.9092 (m100) cc_final: 0.8671 (m100) REVERT: k 311 ASN cc_start: 0.9472 (m-40) cc_final: 0.8238 (t0) REVERT: k 313 SER cc_start: 0.9633 (p) cc_final: 0.9379 (t) REVERT: k 315 GLN cc_start: 0.6385 (mt0) cc_final: 0.5986 (mt0) REVERT: k 322 THR cc_start: 0.8896 (p) cc_final: 0.8444 (p) REVERT: k 324 THR cc_start: 0.9080 (m) cc_final: 0.8852 (p) REVERT: k 335 GLN cc_start: 0.8582 (mm-40) cc_final: 0.8225 (mm110) REVERT: k 359 LYS cc_start: 0.9495 (tttt) cc_final: 0.9218 (tttt) REVERT: k 360 GLU cc_start: 0.9178 (mm-30) cc_final: 0.8171 (mm-30) REVERT: k 363 GLU cc_start: 0.8874 (tp30) cc_final: 0.7856 (tp30) REVERT: k 390 ASP cc_start: 0.9370 (t0) cc_final: 0.9155 (t70) REVERT: k 404 PHE cc_start: 0.8975 (m-80) cc_final: 0.8663 (m-10) REVERT: k 405 SER cc_start: 0.8619 (t) cc_final: 0.8284 (m) REVERT: k 439 LYS cc_start: 0.8926 (tptp) cc_final: 0.8563 (tttt) REVERT: k 443 GLU cc_start: 0.8185 (tp30) cc_final: 0.7972 (tp30) REVERT: k 444 MET cc_start: 0.8506 (mtp) cc_final: 0.7952 (mtp) REVERT: k 448 ILE cc_start: 0.8330 (pt) cc_final: 0.7851 (mp) REVERT: k 449 TYR cc_start: 0.9271 (m-80) cc_final: 0.8554 (m-80) REVERT: k 509 LYS cc_start: 0.8210 (mttt) cc_final: 0.7915 (mtpt) REVERT: k 513 PHE cc_start: 0.9157 (m-80) cc_final: 0.8549 (m-80) REVERT: l 74 TYR cc_start: 0.8811 (m-80) cc_final: 0.8243 (m-80) REVERT: l 90 GLN cc_start: 0.8981 (mt0) cc_final: 0.8677 (mp10) REVERT: l 107 ILE cc_start: 0.8162 (pt) cc_final: 0.7709 (pt) REVERT: l 131 TYR cc_start: 0.7942 (p90) cc_final: 0.6921 (p90) REVERT: l 136 VAL cc_start: 0.9324 (t) cc_final: 0.8666 (t) REVERT: l 144 PHE cc_start: 0.9204 (m-80) cc_final: 0.8240 (m-80) REVERT: l 151 ASP cc_start: 0.8378 (t0) cc_final: 0.7122 (t0) REVERT: l 198 ILE cc_start: 0.9376 (tp) cc_final: 0.9072 (tp) REVERT: l 199 ASP cc_start: 0.9210 (t0) cc_final: 0.8431 (t0) REVERT: l 207 LYS cc_start: 0.9073 (mttt) cc_final: 0.8507 (mtmm) REVERT: l 228 MET cc_start: 0.7993 (ttm) cc_final: 0.7750 (ttm) REVERT: l 235 LEU cc_start: 0.8640 (mp) cc_final: 0.8410 (mp) REVERT: l 244 ASP cc_start: 0.9364 (m-30) cc_final: 0.9151 (m-30) REVERT: l 245 ASN cc_start: 0.7074 (p0) cc_final: 0.6600 (p0) REVERT: l 248 ASN cc_start: 0.9097 (m-40) cc_final: 0.8741 (m110) REVERT: l 264 ARG cc_start: 0.6284 (mtt-85) cc_final: 0.5453 (mmt90) REVERT: l 287 ASP cc_start: 0.9441 (p0) cc_final: 0.9076 (t70) REVERT: l 289 GLU cc_start: 0.9546 (mp0) cc_final: 0.9199 (pp20) REVERT: l 293 ILE cc_start: 0.9501 (mt) cc_final: 0.9159 (mt) REVERT: l 309 TRP cc_start: 0.9113 (m100) cc_final: 0.8270 (m100) REVERT: l 334 PHE cc_start: 0.9025 (m-80) cc_final: 0.8264 (m-80) REVERT: l 350 PHE cc_start: 0.9603 (m-10) cc_final: 0.9232 (m-80) REVERT: l 354 LEU cc_start: 0.9788 (mt) cc_final: 0.9571 (mt) REVERT: l 366 ARG cc_start: 0.8868 (ttt-90) cc_final: 0.8544 (tmm-80) REVERT: l 370 ARG cc_start: 0.8005 (mmt180) cc_final: 0.7721 (mmm-85) REVERT: l 381 ASN cc_start: 0.9474 (m-40) cc_final: 0.9134 (p0) REVERT: l 400 LEU cc_start: 0.9081 (tp) cc_final: 0.8860 (tp) REVERT: l 404 PHE cc_start: 0.8296 (m-80) cc_final: 0.7546 (m-80) REVERT: l 409 THR cc_start: 0.8449 (m) cc_final: 0.8052 (p) REVERT: l 420 LYS cc_start: 0.9133 (tptm) cc_final: 0.8646 (tptm) REVERT: l 433 TYR cc_start: 0.8896 (p90) cc_final: 0.8464 (p90) REVERT: l 434 PHE cc_start: 0.8593 (p90) cc_final: 0.8099 (p90) REVERT: l 442 ASN cc_start: 0.8883 (t0) cc_final: 0.8612 (p0) REVERT: l 443 GLU cc_start: 0.8436 (mt-10) cc_final: 0.7975 (mt-10) REVERT: l 468 GLN cc_start: 0.7875 (mm-40) cc_final: 0.7488 (mm110) REVERT: l 510 ASN cc_start: 0.9059 (t0) cc_final: 0.8612 (t0) REVERT: l 513 PHE cc_start: 0.9154 (m-80) cc_final: 0.8735 (m-80) REVERT: l 518 VAL cc_start: 0.9138 (m) cc_final: 0.8798 (m) REVERT: m 78 ASN cc_start: 0.9362 (m-40) cc_final: 0.8972 (p0) REVERT: m 79 ILE cc_start: 0.9669 (mt) cc_final: 0.9197 (mt) REVERT: m 90 GLN cc_start: 0.8872 (mm-40) cc_final: 0.8269 (mp10) REVERT: m 99 VAL cc_start: 0.8476 (t) cc_final: 0.8012 (p) REVERT: m 105 ASN cc_start: 0.7827 (m-40) cc_final: 0.7485 (m-40) REVERT: m 117 MET cc_start: 0.8227 (mtt) cc_final: 0.7522 (mtt) REVERT: m 125 PHE cc_start: 0.9248 (m-80) cc_final: 0.7887 (m-80) REVERT: m 131 TYR cc_start: 0.8756 (p90) cc_final: 0.8401 (p90) REVERT: m 134 ASP cc_start: 0.8758 (t0) cc_final: 0.8509 (t0) REVERT: m 145 HIS cc_start: 0.8232 (t-90) cc_final: 0.7639 (t-90) REVERT: m 163 PHE cc_start: 0.8355 (m-80) cc_final: 0.7909 (m-80) REVERT: m 182 PHE cc_start: 0.9106 (m-80) cc_final: 0.8494 (m-80) REVERT: m 216 MET cc_start: 0.9019 (mtp) cc_final: 0.8738 (mtp) REVERT: m 252 PHE cc_start: 0.9344 (p90) cc_final: 0.8708 (p90) REVERT: m 257 GLN cc_start: 0.8883 (mt0) cc_final: 0.8287 (mt0) REVERT: m 265 GLN cc_start: 0.7958 (tt0) cc_final: 0.7529 (tm-30) REVERT: m 272 ILE cc_start: 0.8032 (mt) cc_final: 0.7730 (mt) REVERT: m 289 GLU cc_start: 0.8997 (mm-30) cc_final: 0.8569 (mp0) REVERT: m 297 GLU cc_start: 0.9376 (mt-10) cc_final: 0.9133 (mt-10) REVERT: m 309 TRP cc_start: 0.9229 (m100) cc_final: 0.8147 (m100) REVERT: m 311 ASN cc_start: 0.9495 (m-40) cc_final: 0.9293 (t0) REVERT: m 332 PHE cc_start: 0.9276 (t80) cc_final: 0.7031 (t80) REVERT: m 353 LEU cc_start: 0.9809 (tp) cc_final: 0.9603 (tp) REVERT: m 354 LEU cc_start: 0.9765 (mt) cc_final: 0.9410 (tt) REVERT: m 356 GLN cc_start: 0.9274 (mt0) cc_final: 0.8854 (mt0) REVERT: m 367 GLN cc_start: 0.8952 (mt0) cc_final: 0.8407 (tp40) REVERT: m 372 GLU cc_start: 0.8759 (tt0) cc_final: 0.8330 (tt0) REVERT: m 375 PHE cc_start: 0.9274 (p90) cc_final: 0.8605 (p90) REVERT: m 390 ASP cc_start: 0.8831 (t0) cc_final: 0.8344 (t0) REVERT: m 426 ASP cc_start: 0.8321 (t0) cc_final: 0.7396 (t0) REVERT: m 428 TYR cc_start: 0.9419 (m-80) cc_final: 0.8638 (m-80) REVERT: m 432 ASP cc_start: 0.6882 (t0) cc_final: 0.6580 (t0) REVERT: m 473 PHE cc_start: 0.8990 (m-80) cc_final: 0.8669 (m-80) REVERT: m 483 PRO cc_start: 0.9654 (Cg_exo) cc_final: 0.9400 (Cg_endo) REVERT: m 484 PHE cc_start: 0.8395 (m-80) cc_final: 0.8191 (m-10) REVERT: m 501 PRO cc_start: 0.8973 (Cg_exo) cc_final: 0.8731 (Cg_endo) REVERT: m 512 TYR cc_start: 0.8893 (m-80) cc_final: 0.8611 (m-80) REVERT: n 74 TYR cc_start: 0.7383 (m-80) cc_final: 0.6950 (m-80) REVERT: n 144 PHE cc_start: 0.8082 (m-80) cc_final: 0.7720 (m-80) REVERT: n 145 HIS cc_start: 0.7820 (t-90) cc_final: 0.7570 (t-90) REVERT: n 154 PHE cc_start: 0.8454 (t80) cc_final: 0.8238 (t80) REVERT: n 182 PHE cc_start: 0.8512 (m-80) cc_final: 0.7930 (m-80) REVERT: n 191 GLN cc_start: 0.8615 (tt0) cc_final: 0.8277 (tt0) REVERT: n 204 ASP cc_start: 0.8630 (t0) cc_final: 0.8237 (p0) REVERT: n 211 GLU cc_start: 0.8709 (mm-30) cc_final: 0.8283 (mm-30) REVERT: n 221 LEU cc_start: 0.8536 (mt) cc_final: 0.8296 (mt) REVERT: n 228 MET cc_start: 0.7793 (ptm) cc_final: 0.7360 (ptm) REVERT: n 253 ARG cc_start: 0.9171 (ttt180) cc_final: 0.8387 (mmm-85) REVERT: n 256 LYS cc_start: 0.8091 (pttt) cc_final: 0.7566 (ptpt) REVERT: n 257 GLN cc_start: 0.9421 (pt0) cc_final: 0.8554 (pp30) REVERT: n 262 LYS cc_start: 0.7755 (mttt) cc_final: 0.7487 (mtmt) REVERT: n 273 GLU cc_start: 0.9173 (mp0) cc_final: 0.8948 (pm20) REVERT: n 312 TYR cc_start: 0.9226 (t80) cc_final: 0.8807 (t80) REVERT: n 324 THR cc_start: 0.8871 (m) cc_final: 0.8284 (p) REVERT: n 327 SER cc_start: 0.4983 (p) cc_final: 0.4088 (p) REVERT: n 333 ASP cc_start: 0.8313 (t0) cc_final: 0.8011 (t70) REVERT: n 336 ASP cc_start: 0.8677 (t0) cc_final: 0.8360 (t0) REVERT: n 349 SER cc_start: 0.9152 (t) cc_final: 0.8948 (p) REVERT: n 351 LYS cc_start: 0.9326 (mptm) cc_final: 0.9068 (tptm) REVERT: n 360 GLU cc_start: 0.9212 (mm-30) cc_final: 0.8944 (mm-30) REVERT: n 370 ARG cc_start: 0.7874 (mmm160) cc_final: 0.7475 (mmm-85) REVERT: n 406 THR cc_start: 0.8916 (p) cc_final: 0.8382 (t) REVERT: n 426 ASP cc_start: 0.8935 (t0) cc_final: 0.8629 (t0) REVERT: n 434 PHE cc_start: 0.9518 (p90) cc_final: 0.9310 (p90) REVERT: n 442 ASN cc_start: 0.9452 (t0) cc_final: 0.9184 (t0) REVERT: n 443 GLU cc_start: 0.8802 (tt0) cc_final: 0.8222 (tm-30) REVERT: n 477 TYR cc_start: 0.8350 (p90) cc_final: 0.8016 (p90) REVERT: n 481 ILE cc_start: 0.8799 (pt) cc_final: 0.8476 (mp) REVERT: n 482 ASN cc_start: 0.9177 (t0) cc_final: 0.8885 (t0) REVERT: n 483 PRO cc_start: 0.9773 (Cg_exo) cc_final: 0.9495 (Cg_endo) REVERT: n 484 PHE cc_start: 0.7299 (m-80) cc_final: 0.6882 (m-80) REVERT: n 505 ASN cc_start: 0.9076 (t0) cc_final: 0.8846 (t0) REVERT: o 96 MET cc_start: 0.7967 (mtp) cc_final: 0.7536 (mtp) REVERT: o 145 HIS cc_start: 0.7406 (t-90) cc_final: 0.6506 (t-90) REVERT: o 181 PHE cc_start: 0.8404 (t80) cc_final: 0.8198 (t80) REVERT: o 198 ILE cc_start: 0.9283 (tp) cc_final: 0.9055 (tp) REVERT: o 207 LYS cc_start: 0.9446 (mttt) cc_final: 0.8870 (mtmm) REVERT: o 211 GLU cc_start: 0.9372 (tp30) cc_final: 0.8923 (tp30) REVERT: o 226 GLU cc_start: 0.8349 (pt0) cc_final: 0.8006 (pt0) REVERT: o 255 ASP cc_start: 0.7500 (m-30) cc_final: 0.7107 (m-30) REVERT: o 259 ILE cc_start: 0.6737 (tt) cc_final: 0.6510 (tp) REVERT: o 262 LYS cc_start: 0.8862 (mttt) cc_final: 0.8626 (mmmt) REVERT: o 312 TYR cc_start: 0.7475 (t80) cc_final: 0.7115 (t80) REVERT: o 319 SER cc_start: 0.8829 (t) cc_final: 0.8447 (m) REVERT: o 334 PHE cc_start: 0.9188 (m-80) cc_final: 0.8570 (m-80) REVERT: o 350 PHE cc_start: 0.7738 (p90) cc_final: 0.7239 (p90) REVERT: o 351 LYS cc_start: 0.9214 (mttm) cc_final: 0.8739 (mttm) REVERT: o 359 LYS cc_start: 0.9712 (mtpt) cc_final: 0.9434 (mtpt) REVERT: o 367 GLN cc_start: 0.8501 (mt0) cc_final: 0.8300 (mm-40) REVERT: o 372 GLU cc_start: 0.9208 (pm20) cc_final: 0.8995 (mp0) REVERT: o 375 PHE cc_start: 0.8678 (p90) cc_final: 0.8308 (p90) REVERT: o 381 ASN cc_start: 0.9607 (m-40) cc_final: 0.9307 (p0) REVERT: o 400 LEU cc_start: 0.8887 (mt) cc_final: 0.8300 (mt) REVERT: o 404 PHE cc_start: 0.8074 (m-80) cc_final: 0.7351 (m-80) REVERT: o 432 ASP cc_start: 0.6610 (t0) cc_final: 0.5366 (t0) REVERT: o 443 GLU cc_start: 0.7816 (pm20) cc_final: 0.6531 (pm20) REVERT: o 486 GLU cc_start: 0.7652 (tt0) cc_final: 0.7328 (mp0) REVERT: o 510 ASN cc_start: 0.9412 (t0) cc_final: 0.8961 (t0) REVERT: o 513 PHE cc_start: 0.9434 (m-80) cc_final: 0.8510 (m-80) REVERT: o 514 ARG cc_start: 0.8394 (mtp85) cc_final: 0.8156 (mmt90) REVERT: p 68 ILE cc_start: 0.9032 (pt) cc_final: 0.8532 (mp) REVERT: p 96 MET cc_start: 0.8662 (mtm) cc_final: 0.8243 (mtm) REVERT: p 101 ARG cc_start: 0.8858 (tpp-160) cc_final: 0.8401 (tpp80) REVERT: p 105 ASN cc_start: 0.8290 (m-40) cc_final: 0.7970 (m-40) REVERT: p 107 ILE cc_start: 0.8486 (mt) cc_final: 0.8053 (tt) REVERT: p 114 VAL cc_start: 0.7438 (t) cc_final: 0.6791 (t) REVERT: p 115 GLN cc_start: 0.8762 (mt0) cc_final: 0.8073 (mp10) REVERT: p 151 ASP cc_start: 0.8545 (t0) cc_final: 0.7874 (t0) REVERT: p 199 ASP cc_start: 0.7237 (t0) cc_final: 0.6759 (t0) REVERT: p 207 LYS cc_start: 0.9665 (mttt) cc_final: 0.9291 (mtpt) REVERT: p 276 GLN cc_start: 0.9107 (mt0) cc_final: 0.8847 (mt0) REVERT: p 322 THR cc_start: 0.9025 (p) cc_final: 0.7927 (p) REVERT: p 332 PHE cc_start: 0.9437 (t80) cc_final: 0.8779 (t80) REVERT: p 334 PHE cc_start: 0.9082 (m-80) cc_final: 0.8295 (m-80) REVERT: p 354 LEU cc_start: 0.9627 (mt) cc_final: 0.9305 (mt) REVERT: p 358 ASP cc_start: 0.9478 (m-30) cc_final: 0.9126 (m-30) REVERT: p 360 GLU cc_start: 0.9565 (mm-30) cc_final: 0.8880 (mm-30) REVERT: p 363 GLU cc_start: 0.9379 (tp30) cc_final: 0.8987 (tp30) REVERT: p 366 ARG cc_start: 0.9089 (ttt180) cc_final: 0.8756 (ttt-90) REVERT: p 390 ASP cc_start: 0.9386 (t0) cc_final: 0.9124 (t0) REVERT: p 391 THR cc_start: 0.9317 (p) cc_final: 0.8841 (t) REVERT: p 394 SER cc_start: 0.8819 (p) cc_final: 0.8015 (t) REVERT: p 410 LYS cc_start: 0.9133 (mttt) cc_final: 0.8929 (mtpt) REVERT: p 468 GLN cc_start: 0.8948 (mm-40) cc_final: 0.8460 (mm-40) REVERT: p 486 GLU cc_start: 0.9009 (pm20) cc_final: 0.8271 (mt-10) REVERT: p 494 SER cc_start: 0.9162 (m) cc_final: 0.8950 (p) REVERT: p 514 ARG cc_start: 0.8409 (mtp85) cc_final: 0.7971 (mtp-110) REVERT: p 518 VAL cc_start: 0.9160 (m) cc_final: 0.8855 (m) REVERT: q 99 VAL cc_start: 0.9076 (t) cc_final: 0.8694 (p) REVERT: q 101 ARG cc_start: 0.8248 (tpp-160) cc_final: 0.6911 (tpp80) REVERT: q 112 CYS cc_start: 0.8410 (p) cc_final: 0.7911 (p) REVERT: q 119 SER cc_start: 0.9318 (p) cc_final: 0.9022 (p) REVERT: q 145 HIS cc_start: 0.8670 (t-170) cc_final: 0.5358 (t-170) REVERT: q 147 MET cc_start: 0.8457 (mmp) cc_final: 0.6774 (mmp) REVERT: q 176 ASP cc_start: 0.8805 (t0) cc_final: 0.8227 (t70) REVERT: q 214 LYS cc_start: 0.8879 (mttt) cc_final: 0.8407 (mtmt) REVERT: q 235 LEU cc_start: 0.8270 (mt) cc_final: 0.7969 (mt) REVERT: q 245 ASN cc_start: 0.5434 (p0) cc_final: 0.4975 (p0) REVERT: q 248 ASN cc_start: 0.9346 (m-40) cc_final: 0.8918 (m-40) REVERT: q 250 MET cc_start: 0.9172 (mtp) cc_final: 0.8560 (mpp) REVERT: q 262 LYS cc_start: 0.8443 (mttt) cc_final: 0.8149 (mtpp) REVERT: q 276 GLN cc_start: 0.8241 (mt0) cc_final: 0.7918 (mt0) REVERT: q 309 TRP cc_start: 0.9020 (m100) cc_final: 0.8793 (m100) REVERT: q 315 GLN cc_start: 0.7959 (mt0) cc_final: 0.7620 (mt0) REVERT: q 319 SER cc_start: 0.9712 (t) cc_final: 0.9378 (p) REVERT: q 324 THR cc_start: 0.9325 (m) cc_final: 0.8816 (p) REVERT: q 334 PHE cc_start: 0.8412 (m-80) cc_final: 0.7885 (m-80) REVERT: q 336 ASP cc_start: 0.8767 (t0) cc_final: 0.8510 (t70) REVERT: q 338 ILE cc_start: 0.9589 (mm) cc_final: 0.9373 (mp) REVERT: q 350 PHE cc_start: 0.9373 (m-10) cc_final: 0.9115 (m-10) REVERT: q 363 GLU cc_start: 0.9303 (tp30) cc_final: 0.8805 (tp30) REVERT: q 370 ARG cc_start: 0.9169 (mmp-170) cc_final: 0.8966 (mmt-90) REVERT: q 372 GLU cc_start: 0.8706 (mt-10) cc_final: 0.8433 (mt-10) REVERT: q 426 ASP cc_start: 0.8465 (t0) cc_final: 0.8066 (t0) REVERT: q 432 ASP cc_start: 0.7745 (t0) cc_final: 0.7435 (t0) REVERT: q 443 GLU cc_start: 0.8586 (tp30) cc_final: 0.7788 (tp30) REVERT: q 467 PHE cc_start: 0.8853 (m-80) cc_final: 0.8637 (m-80) REVERT: q 484 PHE cc_start: 0.8058 (m-80) cc_final: 0.7733 (m-80) REVERT: q 517 TYR cc_start: 0.9146 (m-80) cc_final: 0.8611 (m-10) REVERT: r 68 ILE cc_start: 0.8081 (pt) cc_final: 0.7466 (mm) REVERT: r 101 ARG cc_start: 0.8412 (mtt-85) cc_final: 0.8070 (mtt90) REVERT: r 105 ASN cc_start: 0.8077 (m-40) cc_final: 0.7568 (m110) REVERT: r 107 ILE cc_start: 0.7737 (pt) cc_final: 0.7496 (pt) REVERT: r 114 VAL cc_start: 0.8663 (m) cc_final: 0.8176 (p) REVERT: r 128 ARG cc_start: 0.9323 (mtt-85) cc_final: 0.8839 (mtt90) REVERT: r 134 ASP cc_start: 0.8740 (t0) cc_final: 0.8403 (t0) REVERT: r 151 ASP cc_start: 0.8738 (t0) cc_final: 0.8041 (t0) REVERT: r 162 LYS cc_start: 0.9342 (mmtt) cc_final: 0.8896 (mmmm) REVERT: r 180 HIS cc_start: 0.8382 (t70) cc_final: 0.8061 (t70) REVERT: r 189 TYR cc_start: 0.8508 (m-80) cc_final: 0.7800 (m-80) REVERT: r 204 ASP cc_start: 0.9032 (t0) cc_final: 0.8748 (p0) REVERT: r 214 LYS cc_start: 0.9544 (mttt) cc_final: 0.9231 (ptpp) REVERT: r 216 MET cc_start: 0.8686 (mtp) cc_final: 0.8082 (mtt) REVERT: r 228 MET cc_start: 0.8520 (ttt) cc_final: 0.8010 (ttt) REVERT: r 245 ASN cc_start: 0.7730 (p0) cc_final: 0.7369 (p0) REVERT: r 262 LYS cc_start: 0.8467 (mttt) cc_final: 0.8136 (mtpt) REVERT: r 267 LYS cc_start: 0.8862 (tttt) cc_final: 0.8594 (tttt) REVERT: r 276 GLN cc_start: 0.9035 (mt0) cc_final: 0.8682 (mt0) REVERT: r 293 ILE cc_start: 0.9425 (mt) cc_final: 0.9059 (mt) REVERT: r 297 GLU cc_start: 0.8877 (mm-30) cc_final: 0.8301 (mm-30) REVERT: r 298 ILE cc_start: 0.9788 (mt) cc_final: 0.9529 (mt) REVERT: r 301 GLU cc_start: 0.9026 (mt-10) cc_final: 0.8622 (mt-10) REVERT: r 309 TRP cc_start: 0.9164 (m100) cc_final: 0.8883 (m100) REVERT: r 319 SER cc_start: 0.9213 (t) cc_final: 0.8838 (p) REVERT: r 339 ASP cc_start: 0.9306 (m-30) cc_final: 0.8998 (t0) REVERT: r 356 GLN cc_start: 0.9505 (tp40) cc_final: 0.8762 (tp-100) REVERT: r 404 PHE cc_start: 0.8369 (m-80) cc_final: 0.6944 (m-80) REVERT: r 407 ASP cc_start: 0.8558 (t0) cc_final: 0.7928 (t70) REVERT: r 442 ASN cc_start: 0.8205 (t0) cc_final: 0.7828 (t0) REVERT: r 482 ASN cc_start: 0.8884 (t0) cc_final: 0.8527 (t0) REVERT: r 483 PRO cc_start: 0.9389 (Cg_exo) cc_final: 0.8931 (Cg_endo) REVERT: r 497 GLN cc_start: 0.8230 (pt0) cc_final: 0.8024 (pt0) REVERT: s 75 ASN cc_start: 0.8657 (t0) cc_final: 0.8456 (t0) REVERT: s 98 MET cc_start: 0.5438 (ptm) cc_final: 0.5043 (tmm) REVERT: s 117 MET cc_start: 0.7144 (mtm) cc_final: 0.6899 (mtm) REVERT: s 134 ASP cc_start: 0.8971 (t0) cc_final: 0.8761 (t0) REVERT: s 145 HIS cc_start: 0.8701 (t-90) cc_final: 0.7867 (t-90) REVERT: s 151 ASP cc_start: 0.8633 (t0) cc_final: 0.8208 (t0) REVERT: s 153 MET cc_start: 0.9688 (mmt) cc_final: 0.9305 (mmm) REVERT: s 157 GLN cc_start: 0.8799 (tp40) cc_final: 0.7803 (tp40) REVERT: s 172 THR cc_start: 0.8970 (p) cc_final: 0.7369 (p) REVERT: s 173 THR cc_start: 0.8613 (m) cc_final: 0.8231 (p) REVERT: s 178 TYR cc_start: 0.8434 (m-80) cc_final: 0.7519 (m-10) REVERT: s 189 TYR cc_start: 0.8678 (m-80) cc_final: 0.8108 (m-80) REVERT: s 199 ASP cc_start: 0.8742 (t0) cc_final: 0.8237 (t0) REVERT: s 213 LYS cc_start: 0.9415 (mttt) cc_final: 0.8911 (mtpt) REVERT: s 216 MET cc_start: 0.9320 (mtp) cc_final: 0.9049 (mtp) REVERT: s 221 LEU cc_start: 0.9653 (mt) cc_final: 0.9340 (mt) REVERT: s 228 MET cc_start: 0.9264 (ttm) cc_final: 0.9054 (tpp) REVERT: s 232 ILE cc_start: 0.8630 (mt) cc_final: 0.8116 (mt) REVERT: s 235 LEU cc_start: 0.8449 (tp) cc_final: 0.8107 (pp) REVERT: s 249 GLU cc_start: 0.8128 (mt-10) cc_final: 0.7756 (mm-30) REVERT: s 260 GLU cc_start: 0.7632 (tm-30) cc_final: 0.7314 (tm-30) REVERT: s 265 GLN cc_start: 0.9320 (pt0) cc_final: 0.7113 (pt0) REVERT: s 297 GLU cc_start: 0.9381 (tp30) cc_final: 0.9007 (tp30) REVERT: s 311 ASN cc_start: 0.9323 (m-40) cc_final: 0.8776 (m-40) REVERT: s 333 ASP cc_start: 0.8557 (t0) cc_final: 0.8301 (t0) REVERT: s 336 ASP cc_start: 0.7731 (t0) cc_final: 0.7480 (t0) REVERT: s 367 GLN cc_start: 0.9353 (mt0) cc_final: 0.8110 (mm-40) REVERT: s 400 LEU cc_start: 0.9336 (mt) cc_final: 0.8940 (mt) REVERT: s 404 PHE cc_start: 0.8463 (m-80) cc_final: 0.7499 (m-80) REVERT: s 426 ASP cc_start: 0.9162 (t0) cc_final: 0.8698 (t0) REVERT: s 434 PHE cc_start: 0.9262 (p90) cc_final: 0.8664 (p90) REVERT: s 473 PHE cc_start: 0.9262 (m-80) cc_final: 0.8993 (m-80) REVERT: s 481 ILE cc_start: 0.9123 (mm) cc_final: 0.8856 (mt) REVERT: s 482 ASN cc_start: 0.8566 (t0) cc_final: 0.7757 (t0) REVERT: s 514 ARG cc_start: 0.8821 (mtp85) cc_final: 0.6920 (ttm110) REVERT: s 515 ARG cc_start: 0.8581 (ptm160) cc_final: 0.7891 (ttt180) REVERT: t 131 TYR cc_start: 0.8828 (p90) cc_final: 0.8271 (p90) REVERT: t 134 ASP cc_start: 0.6849 (m-30) cc_final: 0.6567 (t0) REVERT: t 198 ILE cc_start: 0.9602 (tt) cc_final: 0.9328 (tt) REVERT: t 199 ASP cc_start: 0.8569 (t0) cc_final: 0.8258 (t0) REVERT: t 223 GLU cc_start: 0.9034 (tt0) cc_final: 0.8444 (tt0) REVERT: t 236 GLN cc_start: 0.9232 (mt0) cc_final: 0.8794 (mt0) REVERT: t 247 TRP cc_start: 0.7770 (m-10) cc_final: 0.6871 (m100) REVERT: t 301 GLU cc_start: 0.9199 (mt-10) cc_final: 0.8899 (mt-10) REVERT: t 305 GLU cc_start: 0.9403 (mt-10) cc_final: 0.8522 (mt-10) REVERT: t 308 ASP cc_start: 0.8690 (m-30) cc_final: 0.6791 (t0) REVERT: t 324 THR cc_start: 0.9001 (m) cc_final: 0.8649 (p) REVERT: t 333 ASP cc_start: 0.8892 (t0) cc_final: 0.8580 (t0) REVERT: t 350 PHE cc_start: 0.9745 (m-10) cc_final: 0.8952 (m-10) REVERT: t 355 PHE cc_start: 0.9550 (t80) cc_final: 0.9322 (t80) REVERT: t 356 GLN cc_start: 0.9633 (tp40) cc_final: 0.8945 (tp-100) REVERT: t 359 LYS cc_start: 0.9633 (tttp) cc_final: 0.9021 (tttp) REVERT: t 367 GLN cc_start: 0.9189 (tp40) cc_final: 0.8863 (tp40) REVERT: t 375 PHE cc_start: 0.9474 (p90) cc_final: 0.9097 (p90) REVERT: t 381 ASN cc_start: 0.8818 (m-40) cc_final: 0.8446 (p0) REVERT: t 382 VAL cc_start: 0.9677 (t) cc_final: 0.9362 (t) REVERT: t 413 PHE cc_start: 0.8627 (t80) cc_final: 0.8416 (t80) REVERT: t 426 ASP cc_start: 0.8430 (t0) cc_final: 0.7880 (t0) REVERT: t 483 PRO cc_start: 0.9060 (Cg_endo) cc_final: 0.8538 (Cg_exo) REVERT: t 498 SER cc_start: 0.8398 (m) cc_final: 0.7782 (t) REVERT: t 510 ASN cc_start: 0.9257 (t0) cc_final: 0.8314 (t0) REVERT: t 513 PHE cc_start: 0.8847 (m-80) cc_final: 0.8588 (m-80) REVERT: u 91 ILE cc_start: 0.8368 (mt) cc_final: 0.8113 (mt) REVERT: u 147 MET cc_start: 0.8952 (mtm) cc_final: 0.8038 (mtm) REVERT: u 148 TYR cc_start: 0.8586 (m-80) cc_final: 0.7698 (m-80) REVERT: u 172 THR cc_start: 0.9258 (p) cc_final: 0.8556 (t) REVERT: u 204 ASP cc_start: 0.8665 (t0) cc_final: 0.8368 (t0) REVERT: u 214 LYS cc_start: 0.9367 (mttt) cc_final: 0.9105 (mttm) REVERT: u 215 GLN cc_start: 0.9110 (mm-40) cc_final: 0.8560 (mm-40) REVERT: u 216 MET cc_start: 0.9338 (mtm) cc_final: 0.9118 (tmm) REVERT: u 236 GLN cc_start: 0.8895 (mt0) cc_final: 0.8682 (mt0) REVERT: u 249 GLU cc_start: 0.8974 (tt0) cc_final: 0.8668 (pm20) REVERT: u 250 MET cc_start: 0.8448 (mtt) cc_final: 0.8201 (mmm) REVERT: u 256 LYS cc_start: 0.6830 (pttt) cc_final: 0.6120 (pttt) REVERT: u 264 ARG cc_start: 0.7474 (mtt-85) cc_final: 0.7103 (mtt180) REVERT: u 276 GLN cc_start: 0.9526 (mt0) cc_final: 0.9324 (mt0) REVERT: u 294 LEU cc_start: 0.9568 (pp) cc_final: 0.9191 (mp) REVERT: u 297 GLU cc_start: 0.8806 (tp30) cc_final: 0.8238 (tp30) REVERT: u 309 TRP cc_start: 0.9082 (m100) cc_final: 0.7707 (m100) REVERT: u 311 ASN cc_start: 0.9244 (m-40) cc_final: 0.8725 (m-40) REVERT: u 318 LYS cc_start: 0.8984 (mmmt) cc_final: 0.8750 (mmmt) REVERT: u 356 GLN cc_start: 0.9328 (tp40) cc_final: 0.8939 (tp40) REVERT: u 363 GLU cc_start: 0.9172 (tp30) cc_final: 0.8692 (tp30) REVERT: u 367 GLN cc_start: 0.8638 (mt0) cc_final: 0.8409 (mm-40) REVERT: u 427 GLN cc_start: 0.9298 (pt0) cc_final: 0.8978 (pt0) REVERT: u 433 TYR cc_start: 0.7350 (p90) cc_final: 0.6791 (p90) REVERT: u 448 ILE cc_start: 0.8834 (mt) cc_final: 0.8356 (mp) REVERT: u 482 ASN cc_start: 0.9115 (t0) cc_final: 0.8331 (t0) REVERT: u 510 ASN cc_start: 0.9391 (t0) cc_final: 0.8646 (p0) REVERT: u 515 ARG cc_start: 0.7123 (ttt180) cc_final: 0.5593 (ttt180) REVERT: v 67 GLU cc_start: 0.8254 (mm-30) cc_final: 0.7477 (mm-30) REVERT: v 71 ASP cc_start: 0.7257 (t0) cc_final: 0.5300 (t70) REVERT: v 90 GLN cc_start: 0.9071 (mm-40) cc_final: 0.8785 (mp10) REVERT: v 99 VAL cc_start: 0.8866 (t) cc_final: 0.8365 (p) REVERT: v 105 ASN cc_start: 0.7852 (m-40) cc_final: 0.7556 (m-40) REVERT: v 147 MET cc_start: 0.7730 (mtp) cc_final: 0.6728 (mtp) REVERT: v 148 TYR cc_start: 0.8254 (m-80) cc_final: 0.7638 (m-80) REVERT: v 151 ASP cc_start: 0.7308 (t0) cc_final: 0.6440 (p0) REVERT: v 172 THR cc_start: 0.9316 (p) cc_final: 0.8903 (t) REVERT: v 176 ASP cc_start: 0.8045 (t0) cc_final: 0.7828 (t0) REVERT: v 199 ASP cc_start: 0.5476 (t0) cc_final: 0.5156 (t70) REVERT: v 203 THR cc_start: 0.9386 (p) cc_final: 0.9175 (p) REVERT: v 207 LYS cc_start: 0.9195 (mttt) cc_final: 0.8699 (mtmt) REVERT: v 245 ASN cc_start: 0.6302 (p0) cc_final: 0.6084 (p0) REVERT: v 250 MET cc_start: 0.7649 (mtp) cc_final: 0.6959 (mtp) REVERT: v 266 LEU cc_start: 0.9609 (mt) cc_final: 0.9261 (mt) REVERT: v 273 GLU cc_start: 0.9461 (mp0) cc_final: 0.9013 (mp0) REVERT: v 279 ARG cc_start: 0.8760 (tmt-80) cc_final: 0.8269 (ttm-80) REVERT: v 285 ASP cc_start: 0.8716 (m-30) cc_final: 0.8461 (p0) REVERT: v 298 ILE cc_start: 0.9643 (mt) cc_final: 0.9372 (mt) REVERT: v 300 LEU cc_start: 0.9638 (mt) cc_final: 0.9424 (mt) REVERT: v 301 GLU cc_start: 0.8061 (mt-10) cc_final: 0.7848 (mt-10) REVERT: v 309 TRP cc_start: 0.8738 (m100) cc_final: 0.8380 (m100) REVERT: v 311 ASN cc_start: 0.9687 (m-40) cc_final: 0.9268 (m110) REVERT: v 319 SER cc_start: 0.9452 (t) cc_final: 0.9203 (m) REVERT: v 321 MET cc_start: 0.8469 (tpp) cc_final: 0.8118 (mmp) REVERT: v 386 LEU cc_start: 0.9642 (mt) cc_final: 0.9339 (tp) REVERT: v 404 PHE cc_start: 0.8816 (m-80) cc_final: 0.8498 (m-80) REVERT: v 426 ASP cc_start: 0.8160 (t0) cc_final: 0.7198 (t0) REVERT: v 449 TYR cc_start: 0.7856 (m-80) cc_final: 0.7638 (m-80) REVERT: v 457 THR cc_start: 0.9049 (m) cc_final: 0.8849 (p) REVERT: v 463 ASP cc_start: 0.8469 (t0) cc_final: 0.8264 (t0) REVERT: v 482 ASN cc_start: 0.9622 (t0) cc_final: 0.9184 (t0) REVERT: v 497 GLN cc_start: 0.8572 (mt0) cc_final: 0.7966 (mp10) REVERT: v 510 ASN cc_start: 0.8809 (t0) cc_final: 0.8509 (t0) REVERT: w 115 GLN cc_start: 0.8814 (mt0) cc_final: 0.7986 (mp10) REVERT: w 117 MET cc_start: 0.8747 (mmm) cc_final: 0.8407 (mmm) REVERT: w 128 ARG cc_start: 0.8857 (mtt-85) cc_final: 0.8583 (mtt90) REVERT: w 147 MET cc_start: 0.8747 (mtm) cc_final: 0.8264 (mtm) REVERT: w 176 ASP cc_start: 0.8707 (t0) cc_final: 0.8235 (m-30) REVERT: w 177 ILE cc_start: 0.9639 (mm) cc_final: 0.9088 (mm) REVERT: w 178 TYR cc_start: 0.8797 (m-80) cc_final: 0.7935 (m-80) REVERT: w 190 LEU cc_start: 0.9258 (mt) cc_final: 0.8981 (mm) REVERT: w 191 GLN cc_start: 0.8684 (tt0) cc_final: 0.8426 (tm-30) REVERT: w 199 ASP cc_start: 0.7009 (t0) cc_final: 0.6088 (t0) REVERT: w 207 LYS cc_start: 0.9040 (mmtt) cc_final: 0.8650 (mmmt) REVERT: w 217 GLU cc_start: 0.9319 (mt-10) cc_final: 0.8899 (mm-30) REVERT: w 253 ARG cc_start: 0.8174 (ptm160) cc_final: 0.7735 (tmm-80) REVERT: w 265 GLN cc_start: 0.9325 (pt0) cc_final: 0.8353 (pt0) REVERT: w 266 LEU cc_start: 0.9218 (mt) cc_final: 0.8748 (mt) REVERT: w 272 ILE cc_start: 0.7054 (mt) cc_final: 0.6853 (mt) REVERT: w 294 LEU cc_start: 0.9519 (tp) cc_final: 0.8991 (tp) REVERT: w 309 TRP cc_start: 0.9055 (m100) cc_final: 0.8263 (m100) REVERT: w 315 GLN cc_start: 0.7390 (mt0) cc_final: 0.7046 (mt0) REVERT: w 318 LYS cc_start: 0.9351 (mmmm) cc_final: 0.8990 (mmmm) REVERT: w 356 GLN cc_start: 0.9721 (tp40) cc_final: 0.9301 (tp-100) REVERT: w 363 GLU cc_start: 0.9122 (tp30) cc_final: 0.7946 (tp30) REVERT: w 366 ARG cc_start: 0.8881 (ttt-90) cc_final: 0.8084 (tmm-80) REVERT: w 367 GLN cc_start: 0.9243 (mt0) cc_final: 0.7614 (mm-40) REVERT: w 376 ILE cc_start: 0.9279 (mt) cc_final: 0.8976 (tp) REVERT: w 377 ILE cc_start: 0.8328 (mp) cc_final: 0.7979 (tp) REVERT: w 381 ASN cc_start: 0.9066 (m-40) cc_final: 0.8860 (m-40) REVERT: w 390 ASP cc_start: 0.8683 (t0) cc_final: 0.8433 (t0) REVERT: w 398 GLN cc_start: 0.8926 (tt0) cc_final: 0.8247 (tt0) REVERT: w 404 PHE cc_start: 0.8799 (m-80) cc_final: 0.8447 (m-80) REVERT: w 417 LEU cc_start: 0.8996 (tp) cc_final: 0.8790 (tp) REVERT: w 420 LYS cc_start: 0.9444 (tttp) cc_final: 0.9106 (tptp) REVERT: w 423 VAL cc_start: 0.8943 (t) cc_final: 0.8496 (t) REVERT: w 434 PHE cc_start: 0.9377 (p90) cc_final: 0.9133 (p90) REVERT: w 443 GLU cc_start: 0.8513 (tt0) cc_final: 0.7275 (tp30) REVERT: w 460 ARG cc_start: 0.8913 (pmt-80) cc_final: 0.8687 (ttp80) REVERT: w 462 SER cc_start: 0.7273 (p) cc_final: 0.6994 (t) REVERT: w 468 GLN cc_start: 0.8901 (mm-40) cc_final: 0.8674 (mm-40) REVERT: w 471 MET cc_start: 0.7329 (tmm) cc_final: 0.7124 (tmm) REVERT: w 481 ILE cc_start: 0.8966 (pt) cc_final: 0.8476 (pt) REVERT: w 482 ASN cc_start: 0.8924 (t0) cc_final: 0.7578 (t0) REVERT: w 497 GLN cc_start: 0.9259 (mm-40) cc_final: 0.8982 (mm-40) REVERT: w 505 ASN cc_start: 0.9100 (m-40) cc_final: 0.8834 (t0) REVERT: w 510 ASN cc_start: 0.9394 (t0) cc_final: 0.9081 (t0) REVERT: w 514 ARG cc_start: 0.8406 (mtp85) cc_final: 0.7844 (tpp80) REVERT: x 90 GLN cc_start: 0.9148 (mm-40) cc_final: 0.8704 (mm110) REVERT: x 128 ARG cc_start: 0.9349 (mtt-85) cc_final: 0.8404 (mtt90) REVERT: x 130 VAL cc_start: 0.9518 (t) cc_final: 0.9228 (p) REVERT: x 136 VAL cc_start: 0.9179 (t) cc_final: 0.8934 (m) REVERT: x 147 MET cc_start: 0.8666 (mmm) cc_final: 0.7630 (mmm) REVERT: x 148 TYR cc_start: 0.8524 (m-80) cc_final: 0.7975 (m-80) REVERT: x 151 ASP cc_start: 0.7858 (t0) cc_final: 0.7157 (t0) REVERT: x 154 PHE cc_start: 0.9192 (t80) cc_final: 0.8788 (t80) REVERT: x 172 THR cc_start: 0.9511 (p) cc_final: 0.9131 (t) REVERT: x 178 TYR cc_start: 0.9366 (m-80) cc_final: 0.8524 (m-80) REVERT: x 182 PHE cc_start: 0.9076 (m-80) cc_final: 0.8753 (m-80) REVERT: x 207 LYS cc_start: 0.8766 (mttt) cc_final: 0.8529 (mmmt) REVERT: x 212 ILE cc_start: 0.9720 (mt) cc_final: 0.9325 (mt) REVERT: x 213 LYS cc_start: 0.9420 (mttt) cc_final: 0.9005 (mttt) REVERT: x 228 MET cc_start: 0.9093 (mtp) cc_final: 0.8349 (mtp) REVERT: x 248 ASN cc_start: 0.9253 (m-40) cc_final: 0.8584 (m-40) REVERT: x 257 GLN cc_start: 0.8661 (mt0) cc_final: 0.8119 (mm110) REVERT: x 276 GLN cc_start: 0.9125 (mt0) cc_final: 0.8789 (mt0) REVERT: x 278 LEU cc_start: 0.9369 (tp) cc_final: 0.9134 (tp) REVERT: x 284 MET cc_start: 0.7241 (mtt) cc_final: 0.7037 (mtt) REVERT: x 311 ASN cc_start: 0.9563 (m-40) cc_final: 0.8941 (t0) REVERT: x 351 LYS cc_start: 0.9348 (mptm) cc_final: 0.8611 (tptm) REVERT: x 390 ASP cc_start: 0.9311 (t0) cc_final: 0.9107 (t0) REVERT: x 391 THR cc_start: 0.9073 (p) cc_final: 0.8769 (p) REVERT: x 404 PHE cc_start: 0.7540 (m-80) cc_final: 0.7215 (m-80) REVERT: x 428 TYR cc_start: 0.8942 (m-80) cc_final: 0.8659 (m-80) REVERT: x 430 LYS cc_start: 0.9388 (mmtm) cc_final: 0.8834 (mmmt) REVERT: x 450 TYR cc_start: 0.8817 (t80) cc_final: 0.8576 (t80) REVERT: x 463 ASP cc_start: 0.7325 (t0) cc_final: 0.7110 (t0) REVERT: x 468 GLN cc_start: 0.7740 (mm-40) cc_final: 0.7108 (mm-40) REVERT: x 476 ARG cc_start: 0.6803 (ttm170) cc_final: 0.5909 (ttm170) REVERT: x 482 ASN cc_start: 0.9275 (t0) cc_final: 0.8383 (t0) REVERT: x 500 MET cc_start: 0.6981 (mtm) cc_final: 0.6707 (mtm) REVERT: x 512 TYR cc_start: 0.9109 (m-80) cc_final: 0.8361 (m-80) REVERT: x 517 TYR cc_start: 0.9112 (m-80) cc_final: 0.8891 (m-10) REVERT: y 96 MET cc_start: 0.8688 (mtm) cc_final: 0.7963 (mtm) REVERT: y 103 ILE cc_start: 0.8179 (mt) cc_final: 0.7827 (mt) REVERT: y 134 ASP cc_start: 0.8915 (t0) cc_final: 0.8361 (t0) REVERT: y 144 PHE cc_start: 0.9030 (m-80) cc_final: 0.8825 (m-10) REVERT: y 147 MET cc_start: 0.8293 (mtm) cc_final: 0.8073 (ppp) REVERT: y 153 MET cc_start: 0.9131 (mtt) cc_final: 0.8249 (mmm) REVERT: y 154 PHE cc_start: 0.8528 (t80) cc_final: 0.7845 (t80) REVERT: y 162 LYS cc_start: 0.9620 (mttt) cc_final: 0.9376 (mtmt) REVERT: y 180 HIS cc_start: 0.8837 (t70) cc_final: 0.8549 (t70) REVERT: y 182 PHE cc_start: 0.8932 (m-10) cc_final: 0.8582 (m-80) REVERT: y 191 GLN cc_start: 0.7898 (tt0) cc_final: 0.7668 (tt0) REVERT: y 216 MET cc_start: 0.9031 (mtp) cc_final: 0.8814 (mtt) REVERT: y 217 GLU cc_start: 0.9845 (tt0) cc_final: 0.9123 (tp30) REVERT: y 260 GLU cc_start: 0.8414 (tm-30) cc_final: 0.8067 (tm-30) REVERT: y 264 ARG cc_start: 0.8218 (ptp-110) cc_final: 0.6904 (ptp-110) REVERT: y 265 GLN cc_start: 0.9288 (pm20) cc_final: 0.8979 (pt0) REVERT: y 297 GLU cc_start: 0.9092 (tp30) cc_final: 0.8400 (tp30) REVERT: y 311 ASN cc_start: 0.9316 (m-40) cc_final: 0.8913 (t0) REVERT: y 348 GLU cc_start: 0.8648 (pt0) cc_final: 0.8109 (pt0) REVERT: y 363 GLU cc_start: 0.9151 (tp30) cc_final: 0.8418 (tp30) REVERT: y 366 ARG cc_start: 0.9232 (ttt-90) cc_final: 0.8796 (ttp80) REVERT: y 375 PHE cc_start: 0.9043 (p90) cc_final: 0.8697 (p90) REVERT: y 390 ASP cc_start: 0.8194 (t0) cc_final: 0.7829 (t0) REVERT: y 391 THR cc_start: 0.9073 (p) cc_final: 0.8868 (p) REVERT: y 406 THR cc_start: 0.9222 (p) cc_final: 0.8695 (t) REVERT: y 412 VAL cc_start: 0.9063 (m) cc_final: 0.8521 (m) REVERT: y 424 TYR cc_start: 0.8735 (m-80) cc_final: 0.7969 (m-10) REVERT: y 426 ASP cc_start: 0.9487 (t0) cc_final: 0.9226 (t0) REVERT: y 459 LEU cc_start: 0.9360 (mp) cc_final: 0.8542 (mp) REVERT: y 475 THR cc_start: 0.8507 (t) cc_final: 0.8257 (t) REVERT: y 481 ILE cc_start: 0.9321 (mm) cc_final: 0.9085 (mm) REVERT: y 484 PHE cc_start: 0.8152 (m-80) cc_final: 0.7256 (m-10) REVERT: y 505 ASN cc_start: 0.8584 (m-40) cc_final: 0.8357 (m-40) REVERT: y 509 LYS cc_start: 0.9389 (mttp) cc_final: 0.8970 (mttt) REVERT: y 512 TYR cc_start: 0.9008 (m-80) cc_final: 0.8517 (m-80) REVERT: z 79 ILE cc_start: 0.9225 (mt) cc_final: 0.9016 (mt) REVERT: z 105 ASN cc_start: 0.6762 (m-40) cc_final: 0.6072 (p0) REVERT: z 147 MET cc_start: 0.7502 (mtp) cc_final: 0.7268 (mtp) REVERT: z 151 ASP cc_start: 0.7781 (m-30) cc_final: 0.7195 (m-30) REVERT: z 153 MET cc_start: 0.8168 (mtm) cc_final: 0.7767 (mtm) REVERT: z 172 THR cc_start: 0.9404 (p) cc_final: 0.8974 (p) REVERT: z 173 THR cc_start: 0.9326 (m) cc_final: 0.8925 (t) REVERT: z 189 TYR cc_start: 0.7877 (m-80) cc_final: 0.6746 (m-80) REVERT: z 204 ASP cc_start: 0.9379 (t70) cc_final: 0.9045 (p0) REVERT: z 228 MET cc_start: 0.9439 (ptt) cc_final: 0.9130 (ptp) REVERT: z 244 ASP cc_start: 0.9408 (m-30) cc_final: 0.9145 (p0) REVERT: z 301 GLU cc_start: 0.9117 (mt-10) cc_final: 0.8597 (tt0) REVERT: z 319 SER cc_start: 0.9338 (t) cc_final: 0.9117 (m) REVERT: z 321 MET cc_start: 0.8157 (mmm) cc_final: 0.7653 (mtm) REVERT: z 334 PHE cc_start: 0.7473 (m-80) cc_final: 0.7202 (m-80) REVERT: z 351 LYS cc_start: 0.9463 (mtpp) cc_final: 0.9068 (mtpp) REVERT: z 356 GLN cc_start: 0.9590 (tp40) cc_final: 0.8973 (tp-100) REVERT: z 372 GLU cc_start: 0.9187 (pm20) cc_final: 0.8378 (mp0) REVERT: z 375 PHE cc_start: 0.9100 (p90) cc_final: 0.8833 (p90) REVERT: z 390 ASP cc_start: 0.8649 (t0) cc_final: 0.8411 (t70) REVERT: z 408 THR cc_start: 0.8918 (p) cc_final: 0.8426 (p) REVERT: z 412 VAL cc_start: 0.8167 (m) cc_final: 0.7827 (m) REVERT: z 439 LYS cc_start: 0.9143 (tmmt) cc_final: 0.8907 (ttpt) REVERT: z 484 PHE cc_start: 0.8087 (m-80) cc_final: 0.7641 (m-10) REVERT: z 496 ILE cc_start: 0.8071 (tt) cc_final: 0.7653 (tp) REVERT: A 72 HIS cc_start: 0.7334 (m90) cc_final: 0.7027 (m90) REVERT: A 100 ARG cc_start: 0.8719 (ptt180) cc_final: 0.8277 (ttp-170) REVERT: A 106 LEU cc_start: 0.8285 (mt) cc_final: 0.7905 (mp) REVERT: A 151 ASP cc_start: 0.8900 (t0) cc_final: 0.8598 (t70) REVERT: A 182 PHE cc_start: 0.9189 (m-80) cc_final: 0.8787 (m-80) REVERT: A 199 ASP cc_start: 0.8609 (t0) cc_final: 0.8346 (t0) REVERT: A 204 ASP cc_start: 0.9522 (t0) cc_final: 0.9064 (t0) REVERT: A 262 LYS cc_start: 0.8666 (mttt) cc_final: 0.8012 (mmmt) REVERT: A 264 ARG cc_start: 0.7283 (mtt-85) cc_final: 0.5063 (mtt180) REVERT: A 278 LEU cc_start: 0.9568 (OUTLIER) cc_final: 0.9338 (mm) REVERT: A 293 ILE cc_start: 0.9601 (mt) cc_final: 0.9206 (mt) REVERT: A 294 LEU cc_start: 0.9419 (mt) cc_final: 0.9032 (mt) REVERT: A 299 MET cc_start: 0.9467 (mmp) cc_final: 0.9116 (mmm) REVERT: A 301 GLU cc_start: 0.9526 (mt-10) cc_final: 0.8618 (mt-10) REVERT: A 303 ASN cc_start: 0.9225 (m-40) cc_final: 0.8919 (p0) REVERT: A 315 GLN cc_start: 0.6948 (mt0) cc_final: 0.6562 (mt0) REVERT: A 327 SER cc_start: 0.7294 (t) cc_final: 0.7087 (p) REVERT: A 333 ASP cc_start: 0.8046 (t0) cc_final: 0.7821 (t70) REVERT: A 363 GLU cc_start: 0.9399 (tp30) cc_final: 0.8910 (tp30) REVERT: A 381 ASN cc_start: 0.9654 (m-40) cc_final: 0.9451 (p0) REVERT: A 390 ASP cc_start: 0.9188 (t0) cc_final: 0.8929 (t0) REVERT: A 391 THR cc_start: 0.8944 (p) cc_final: 0.8714 (t) REVERT: A 422 ARG cc_start: 0.8208 (mtp85) cc_final: 0.7486 (mtp85) REVERT: A 428 TYR cc_start: 0.9403 (m-80) cc_final: 0.8847 (m-80) REVERT: A 432 ASP cc_start: 0.7953 (t0) cc_final: 0.6363 (t0) REVERT: A 433 TYR cc_start: 0.7987 (p90) cc_final: 0.7546 (p90) REVERT: A 507 LEU cc_start: 0.7983 (tt) cc_final: 0.7725 (tp) REVERT: B 111 ILE cc_start: 0.9100 (pt) cc_final: 0.8742 (pt) REVERT: B 131 TYR cc_start: 0.7930 (p90) cc_final: 0.7515 (p90) REVERT: B 142 GLU cc_start: 0.7981 (tt0) cc_final: 0.5524 (tt0) REVERT: B 144 PHE cc_start: 0.8639 (m-80) cc_final: 0.8218 (m-80) REVERT: B 145 HIS cc_start: 0.6751 (t-90) cc_final: 0.5162 (t-90) REVERT: B 147 MET cc_start: 0.8511 (mmm) cc_final: 0.7464 (mmm) REVERT: B 148 TYR cc_start: 0.8797 (m-80) cc_final: 0.7828 (m-80) REVERT: B 151 ASP cc_start: 0.7534 (t0) cc_final: 0.7308 (t0) REVERT: B 157 GLN cc_start: 0.8178 (tp-100) cc_final: 0.7860 (tp-100) REVERT: B 176 ASP cc_start: 0.8915 (t0) cc_final: 0.8673 (t70) REVERT: B 178 TYR cc_start: 0.8974 (m-80) cc_final: 0.7511 (m-80) REVERT: B 226 GLU cc_start: 0.9035 (tp30) cc_final: 0.8755 (tp30) REVERT: B 235 LEU cc_start: 0.8246 (mt) cc_final: 0.7637 (mt) REVERT: B 250 MET cc_start: 0.8081 (mtp) cc_final: 0.7278 (ppp) REVERT: B 271 SER cc_start: 0.8146 (t) cc_final: 0.7860 (p) REVERT: B 276 GLN cc_start: 0.8881 (mt0) cc_final: 0.8540 (mt0) REVERT: B 278 LEU cc_start: 0.9481 (tp) cc_final: 0.9270 (tp) REVERT: B 309 TRP cc_start: 0.9209 (m100) cc_final: 0.8853 (m100) REVERT: B 350 PHE cc_start: 0.6500 (p90) cc_final: 0.6288 (p90) REVERT: B 351 LYS cc_start: 0.9204 (mttm) cc_final: 0.8869 (mttm) REVERT: B 374 ASN cc_start: 0.8955 (p0) cc_final: 0.8600 (p0) REVERT: B 377 ILE cc_start: 0.9076 (mt) cc_final: 0.8849 (tp) REVERT: B 390 ASP cc_start: 0.8443 (t0) cc_final: 0.8170 (t70) REVERT: B 466 ASN cc_start: 0.8964 (p0) cc_final: 0.8664 (p0) REVERT: B 481 ILE cc_start: 0.8835 (pt) cc_final: 0.8440 (pt) REVERT: B 482 ASN cc_start: 0.8347 (t0) cc_final: 0.6985 (m-40) REVERT: B 484 PHE cc_start: 0.8581 (m-80) cc_final: 0.7899 (m-10) REVERT: B 497 GLN cc_start: 0.9131 (mm-40) cc_final: 0.8843 (mm-40) REVERT: B 510 ASN cc_start: 0.8732 (t0) cc_final: 0.8409 (t0) REVERT: B 513 PHE cc_start: 0.8849 (m-80) cc_final: 0.8487 (m-80) REVERT: C 107 ILE cc_start: 0.8957 (mt) cc_final: 0.8666 (mt) REVERT: C 117 MET cc_start: 0.8663 (mtm) cc_final: 0.8198 (mtm) REVERT: C 119 SER cc_start: 0.9227 (p) cc_final: 0.8816 (m) REVERT: C 123 GLN cc_start: 0.8878 (pt0) cc_final: 0.8459 (pt0) REVERT: C 131 TYR cc_start: 0.8506 (p90) cc_final: 0.7629 (p90) REVERT: C 163 PHE cc_start: 0.7278 (m-80) cc_final: 0.5176 (m-10) REVERT: C 180 HIS cc_start: 0.8713 (t-90) cc_final: 0.8294 (t-90) REVERT: C 199 ASP cc_start: 0.8088 (t0) cc_final: 0.7486 (t0) REVERT: C 204 ASP cc_start: 0.9003 (t0) cc_final: 0.8776 (t0) REVERT: C 209 ASP cc_start: 0.9241 (t70) cc_final: 0.9007 (m-30) REVERT: C 213 LYS cc_start: 0.9597 (mtmt) cc_final: 0.9077 (mttt) REVERT: C 224 ILE cc_start: 0.9300 (pp) cc_final: 0.8821 (pp) REVERT: C 234 GLU cc_start: 0.8697 (mm-30) cc_final: 0.7893 (mm-30) REVERT: C 240 ASN cc_start: 0.6489 (t0) cc_final: 0.6268 (t0) REVERT: C 249 GLU cc_start: 0.7466 (mt-10) cc_final: 0.7025 (mt-10) REVERT: C 250 MET cc_start: 0.8186 (mtp) cc_final: 0.7902 (mtp) REVERT: C 257 GLN cc_start: 0.9209 (mt0) cc_final: 0.8762 (pt0) REVERT: C 259 ILE cc_start: 0.9476 (tt) cc_final: 0.9235 (tt) REVERT: C 273 GLU cc_start: 0.9565 (mp0) cc_final: 0.9141 (pm20) REVERT: C 287 ASP cc_start: 0.9452 (p0) cc_final: 0.9175 (t0) REVERT: C 297 GLU cc_start: 0.9199 (mt-10) cc_final: 0.8976 (mt-10) REVERT: C 312 TYR cc_start: 0.9365 (t80) cc_final: 0.8971 (t80) REVERT: C 315 GLN cc_start: 0.6934 (mt0) cc_final: 0.6039 (mt0) REVERT: C 321 MET cc_start: 0.8916 (pmm) cc_final: 0.8582 (pmm) REVERT: C 334 PHE cc_start: 0.8368 (m-80) cc_final: 0.7916 (m-80) REVERT: C 341 ARG cc_start: 0.7364 (mtp180) cc_final: 0.6849 (mtm-85) REVERT: C 348 GLU cc_start: 0.7387 (mm-30) cc_final: 0.6232 (tp30) REVERT: C 366 ARG cc_start: 0.8878 (ttp80) cc_final: 0.8036 (ttp-170) REVERT: C 367 GLN cc_start: 0.8672 (mt0) cc_final: 0.8175 (mm110) REVERT: C 390 ASP cc_start: 0.9094 (t0) cc_final: 0.8659 (t70) REVERT: C 400 LEU cc_start: 0.9777 (mt) cc_final: 0.9236 (mt) REVERT: C 426 ASP cc_start: 0.9211 (t0) cc_final: 0.8950 (t0) REVERT: C 490 GLN cc_start: 0.8983 (pm20) cc_final: 0.8276 (pm20) REVERT: C 510 ASN cc_start: 0.9250 (t0) cc_final: 0.8730 (t0) REVERT: C 514 ARG cc_start: 0.7974 (mtp85) cc_final: 0.7486 (ttm-80) REVERT: C 517 TYR cc_start: 0.8927 (m-80) cc_final: 0.8553 (m-10) REVERT: D 96 MET cc_start: 0.8995 (ptp) cc_final: 0.8676 (ppp) REVERT: D 105 ASN cc_start: 0.8031 (t0) cc_final: 0.7715 (t0) REVERT: D 109 PHE cc_start: 0.8866 (p90) cc_final: 0.8270 (p90) REVERT: D 123 GLN cc_start: 0.7965 (pt0) cc_final: 0.7093 (pm20) REVERT: D 145 HIS cc_start: 0.9193 (t-90) cc_final: 0.8765 (t-90) REVERT: D 148 TYR cc_start: 0.9115 (m-80) cc_final: 0.8907 (m-80) REVERT: D 172 THR cc_start: 0.9222 (p) cc_final: 0.8964 (p) REVERT: D 182 PHE cc_start: 0.9080 (m-80) cc_final: 0.8737 (m-80) REVERT: D 197 THR cc_start: 0.8869 (p) cc_final: 0.8597 (t) REVERT: D 199 ASP cc_start: 0.7845 (t0) cc_final: 0.7250 (t0) REVERT: D 207 LYS cc_start: 0.8487 (mttt) cc_final: 0.8203 (mtmm) REVERT: D 213 LYS cc_start: 0.9378 (mttt) cc_final: 0.8713 (mttt) REVERT: D 216 MET cc_start: 0.9289 (mtm) cc_final: 0.8804 (mtm) REVERT: D 232 ILE cc_start: 0.9447 (mt) cc_final: 0.9183 (mt) REVERT: D 239 PHE cc_start: 0.8072 (t80) cc_final: 0.7478 (t80) REVERT: D 240 ASN cc_start: 0.8735 (m-40) cc_final: 0.8083 (m-40) REVERT: D 252 PHE cc_start: 0.8708 (p90) cc_final: 0.8449 (p90) REVERT: D 256 LYS cc_start: 0.8344 (mtpt) cc_final: 0.7350 (pttm) REVERT: D 276 GLN cc_start: 0.8972 (mt0) cc_final: 0.8759 (mt0) REVERT: D 277 ASP cc_start: 0.9209 (m-30) cc_final: 0.8827 (p0) REVERT: D 345 TRP cc_start: 0.8838 (p-90) cc_final: 0.7597 (p-90) REVERT: D 348 GLU cc_start: 0.9010 (mt-10) cc_final: 0.8271 (mt-10) REVERT: D 391 THR cc_start: 0.8839 (p) cc_final: 0.8277 (t) REVERT: D 404 PHE cc_start: 0.9391 (m-80) cc_final: 0.8742 (m-80) REVERT: D 448 ILE cc_start: 0.9486 (mt) cc_final: 0.9196 (mt) REVERT: D 453 TYR cc_start: 0.7950 (t80) cc_final: 0.7624 (t80) REVERT: D 468 GLN cc_start: 0.8462 (mm-40) cc_final: 0.8158 (mm-40) REVERT: D 510 ASN cc_start: 0.9310 (t0) cc_final: 0.8460 (t0) REVERT: D 513 PHE cc_start: 0.9484 (m-80) cc_final: 0.8606 (m-80) REVERT: E 15 MET cc_start: 0.9087 (mtt) cc_final: 0.8879 (mtm) REVERT: E 19 ASN cc_start: 0.8535 (m-40) cc_final: 0.8106 (m110) REVERT: E 35 LYS cc_start: 0.8449 (tttm) cc_final: 0.8167 (tptt) REVERT: E 61 ILE cc_start: 0.8759 (mt) cc_final: 0.8231 (mt) REVERT: E 102 TYR cc_start: 0.5524 (m-80) cc_final: 0.5121 (m-80) REVERT: E 103 GLU cc_start: 0.7287 (mm-30) cc_final: 0.6931 (tm-30) REVERT: E 112 ASN cc_start: 0.9414 (t0) cc_final: 0.8855 (p0) REVERT: E 136 HIS cc_start: 0.8468 (m170) cc_final: 0.8256 (m90) REVERT: E 146 HIS cc_start: 0.8560 (m-70) cc_final: 0.7841 (m-70) REVERT: E 153 ASP cc_start: 0.8542 (m-30) cc_final: 0.8271 (m-30) REVERT: E 171 ILE cc_start: 0.6320 (mt) cc_final: 0.5177 (mp) REVERT: E 204 GLU cc_start: 0.7031 (tt0) cc_final: 0.6809 (tt0) REVERT: E 206 PHE cc_start: 0.9394 (p90) cc_final: 0.8927 (p90) REVERT: E 281 ASP cc_start: 0.8098 (t0) cc_final: 0.7759 (t0) REVERT: E 362 ILE cc_start: 0.9299 (mm) cc_final: 0.8841 (pt) REVERT: E 371 MET cc_start: 0.9027 (mmp) cc_final: 0.8570 (mmp) REVERT: E 419 LEU cc_start: 0.9606 (mt) cc_final: 0.9405 (mt) REVERT: E 422 LEU cc_start: 0.9692 (tp) cc_final: 0.9255 (tp) REVERT: E 445 LYS cc_start: 0.8898 (mttt) cc_final: 0.8566 (mtmt) REVERT: E 451 ASP cc_start: 0.8901 (t0) cc_final: 0.8455 (p0) REVERT: E 457 LEU cc_start: 0.9648 (mt) cc_final: 0.9251 (mt) REVERT: E 463 LEU cc_start: 0.9253 (tp) cc_final: 0.9037 (tp) REVERT: E 497 GLU cc_start: 0.8790 (tt0) cc_final: 0.8339 (tt0) REVERT: E 503 LYS cc_start: 0.8975 (mttt) cc_final: 0.8729 (ttmt) REVERT: F 14 LYS cc_start: 0.9330 (mttt) cc_final: 0.9096 (mttt) REVERT: F 15 MET cc_start: 0.9569 (mtp) cc_final: 0.9282 (mtp) REVERT: F 16 ASP cc_start: 0.9170 (m-30) cc_final: 0.8762 (m-30) REVERT: F 17 GLU cc_start: 0.9176 (mt-10) cc_final: 0.8938 (mt-10) REVERT: F 23 GLN cc_start: 0.8758 (tt0) cc_final: 0.8513 (tm-30) REVERT: F 26 GLU cc_start: 0.6801 (tp30) cc_final: 0.6408 (tp30) REVERT: F 76 ILE cc_start: 0.9342 (mt) cc_final: 0.8121 (mt) REVERT: F 80 ARG cc_start: 0.8967 (mtt180) cc_final: 0.8391 (ttp-110) REVERT: F 104 ASP cc_start: 0.9257 (m-30) cc_final: 0.8843 (p0) REVERT: F 125 MET cc_start: 0.8535 (mtm) cc_final: 0.8254 (mtt) REVERT: F 146 HIS cc_start: 0.9092 (m-70) cc_final: 0.8631 (m90) REVERT: F 156 ILE cc_start: 0.8934 (tt) cc_final: 0.8709 (tt) REVERT: F 158 PHE cc_start: 0.9302 (m-80) cc_final: 0.8914 (m-80) REVERT: F 181 GLN cc_start: 0.7767 (mt0) cc_final: 0.7399 (mt0) REVERT: F 183 GLN cc_start: 0.8093 (mp10) cc_final: 0.7717 (mp10) REVERT: F 185 VAL cc_start: 0.9251 (m) cc_final: 0.8813 (m) REVERT: F 199 VAL cc_start: 0.7058 (p) cc_final: 0.6360 (p) REVERT: F 246 CYS cc_start: 0.6857 (t) cc_final: 0.6407 (t) REVERT: F 259 LYS cc_start: 0.7476 (tttp) cc_final: 0.7027 (tptt) REVERT: F 360 GLU cc_start: 0.6377 (mt-10) cc_final: 0.5489 (tt0) REVERT: F 365 PHE cc_start: 0.9357 (m-80) cc_final: 0.9088 (m-80) REVERT: F 371 MET cc_start: 0.8548 (mtp) cc_final: 0.8144 (mtp) REVERT: F 401 LEU cc_start: 0.8895 (mt) cc_final: 0.8674 (mt) REVERT: F 409 GLU cc_start: 0.9572 (mt-10) cc_final: 0.9197 (mt-10) REVERT: F 420 ASP cc_start: 0.9224 (t70) cc_final: 0.8945 (t70) REVERT: F 425 ASN cc_start: 0.8803 (m-40) cc_final: 0.8011 (p0) REVERT: F 432 ILE cc_start: 0.8122 (mt) cc_final: 0.6796 (mm) REVERT: F 436 GLU cc_start: 0.8936 (mt-10) cc_final: 0.8732 (tt0) REVERT: F 440 GLU cc_start: 0.8895 (mt-10) cc_final: 0.8444 (mt-10) REVERT: F 447 GLU cc_start: 0.8971 (mt-10) cc_final: 0.8463 (mp0) REVERT: F 459 GLU cc_start: 0.8980 (mt-10) cc_final: 0.8567 (mt-10) REVERT: F 479 LYS cc_start: 0.6067 (mttt) cc_final: 0.5539 (tptt) REVERT: F 487 MET cc_start: 0.9284 (mtp) cc_final: 0.8824 (mtp) REVERT: F 491 LEU cc_start: 0.8817 (mt) cc_final: 0.8516 (mt) REVERT: G 9 PHE cc_start: 0.9088 (m-80) cc_final: 0.8738 (m-10) REVERT: G 31 ILE cc_start: 0.7578 (mt) cc_final: 0.7293 (mt) REVERT: G 43 PHE cc_start: 0.8742 (t80) cc_final: 0.8413 (t80) REVERT: G 70 LYS cc_start: 0.9425 (tttt) cc_final: 0.9178 (tppt) REVERT: G 76 ILE cc_start: 0.9330 (mm) cc_final: 0.9111 (tt) REVERT: G 90 ASN cc_start: 0.9429 (m-40) cc_final: 0.9179 (m110) REVERT: G 103 GLU cc_start: 0.7603 (mm-30) cc_final: 0.6933 (mp0) REVERT: G 150 TRP cc_start: 0.9005 (t60) cc_final: 0.8686 (t60) REVERT: G 159 HIS cc_start: 0.8651 (t70) cc_final: 0.8095 (t70) REVERT: G 162 ILE cc_start: 0.8577 (pt) cc_final: 0.8245 (pt) REVERT: G 221 MET cc_start: -0.0898 (tmm) cc_final: -0.1195 (ttt) REVERT: G 251 ILE cc_start: 0.8824 (pt) cc_final: 0.8616 (pt) REVERT: G 255 HIS cc_start: 0.8703 (t70) cc_final: 0.8214 (t-170) REVERT: G 265 LYS cc_start: 0.8953 (mtpt) cc_final: 0.8667 (mmmt) REVERT: G 367 GLN cc_start: 0.8953 (mt0) cc_final: 0.8679 (mt0) REVERT: G 399 ASP cc_start: 0.8340 (t70) cc_final: 0.7706 (t0) REVERT: G 401 LEU cc_start: 0.8352 (mt) cc_final: 0.7958 (mt) REVERT: G 409 GLU cc_start: 0.9135 (mt-10) cc_final: 0.8829 (mt-10) REVERT: G 416 GLU cc_start: 0.8882 (tp30) cc_final: 0.8660 (tp30) REVERT: G 428 LEU cc_start: 0.8990 (mt) cc_final: 0.8731 (mt) REVERT: G 466 ARG cc_start: 0.8646 (mtt180) cc_final: 0.8075 (mtm-85) REVERT: G 474 GLU cc_start: 0.8316 (tm-30) cc_final: 0.7229 (tp30) REVERT: G 499 GLU cc_start: 0.8825 (tt0) cc_final: 0.8589 (pt0) REVERT: G 500 GLN cc_start: 0.9368 (mm-40) cc_final: 0.8849 (pt0) REVERT: G 504 GLN cc_start: 0.8794 (tp40) cc_final: 0.8282 (tp40) REVERT: G 507 GLU cc_start: 0.9157 (mt-10) cc_final: 0.8952 (mt-10) REVERT: H 16 ASP cc_start: 0.8246 (m-30) cc_final: 0.8043 (m-30) REVERT: H 17 GLU cc_start: 0.8521 (mt-10) cc_final: 0.8311 (pt0) REVERT: H 70 LYS cc_start: 0.8924 (pttp) cc_final: 0.8668 (ptpt) REVERT: H 112 ASN cc_start: 0.8483 (t0) cc_final: 0.8259 (t0) REVERT: H 117 LYS cc_start: 0.6317 (OUTLIER) cc_final: 0.6074 (tptp) REVERT: H 146 HIS cc_start: 0.8717 (m-70) cc_final: 0.7814 (m170) REVERT: H 147 PHE cc_start: 0.9452 (t80) cc_final: 0.9234 (t80) REVERT: H 173 GLU cc_start: 0.7947 (pm20) cc_final: 0.7653 (mp0) REVERT: H 267 LEU cc_start: 0.9472 (mt) cc_final: 0.9257 (mt) REVERT: H 305 MET cc_start: -0.3970 (ptm) cc_final: -0.5494 (tmm) REVERT: H 340 ASP cc_start: 0.7038 (t0) cc_final: 0.6369 (p0) REVERT: H 359 MET cc_start: 0.6128 (mmt) cc_final: 0.3266 (mmt) REVERT: H 360 GLU cc_start: 0.9106 (mm-30) cc_final: 0.8484 (pp20) REVERT: H 365 PHE cc_start: 0.9265 (m-80) cc_final: 0.8781 (m-80) REVERT: H 409 GLU cc_start: 0.9642 (mt-10) cc_final: 0.9439 (mt-10) REVERT: H 413 LYS cc_start: 0.9237 (mmtt) cc_final: 0.8918 (mmtt) REVERT: H 414 PHE cc_start: 0.9454 (t80) cc_final: 0.8883 (t80) REVERT: H 420 ASP cc_start: 0.9144 (t70) cc_final: 0.8690 (t70) REVERT: H 451 ASP cc_start: 0.9435 (t70) cc_final: 0.8866 (p0) REVERT: H 458 LYS cc_start: 0.8791 (mttt) cc_final: 0.8217 (mmtt) REVERT: H 472 MET cc_start: 0.8838 (mtm) cc_final: 0.8257 (mtm) REVERT: H 476 PHE cc_start: 0.9403 (m-80) cc_final: 0.8838 (m-80) REVERT: H 500 GLN cc_start: 0.9440 (tp40) cc_final: 0.9165 (tp-100) REVERT: I 22 ASP cc_start: 0.7697 (m-30) cc_final: 0.7264 (p0) REVERT: I 69 MET cc_start: 0.7149 (mmm) cc_final: 0.6510 (mpp) REVERT: I 74 GLU cc_start: 0.9029 (mt-10) cc_final: 0.8768 (mm-30) REVERT: I 85 ASN cc_start: 0.8104 (m-40) cc_final: 0.7898 (m-40) REVERT: I 100 ILE cc_start: 0.8678 (mm) cc_final: 0.8288 (mm) REVERT: I 113 LEU cc_start: 0.7858 (mt) cc_final: 0.6925 (mt) REVERT: I 147 PHE cc_start: 0.8871 (t80) cc_final: 0.8595 (t80) REVERT: I 156 ILE cc_start: 0.8654 (tt) cc_final: 0.8203 (tt) REVERT: I 157 PHE cc_start: 0.7562 (m-80) cc_final: 0.7299 (m-80) REVERT: I 180 ARG cc_start: 0.8474 (mtm-85) cc_final: 0.8222 (mtm-85) REVERT: I 206 PHE cc_start: 0.8176 (m-80) cc_final: 0.7924 (m-10) REVERT: I 213 GLU cc_start: -0.5391 (OUTLIER) cc_final: -0.6019 (tp30) REVERT: I 243 VAL cc_start: 0.7318 (t) cc_final: 0.6688 (p) REVERT: I 267 LEU cc_start: 0.8695 (mt) cc_final: 0.8396 (mt) REVERT: I 277 THR cc_start: 0.8810 (p) cc_final: 0.8414 (p) REVERT: I 361 ASP cc_start: 0.9494 (p0) cc_final: 0.9044 (m-30) REVERT: I 364 TRP cc_start: 0.8938 (t60) cc_final: 0.7471 (t60) REVERT: I 401 LEU cc_start: 0.9426 (mt) cc_final: 0.9224 (mt) REVERT: I 414 PHE cc_start: 0.9578 (t80) cc_final: 0.9254 (t80) REVERT: I 435 ASP cc_start: 0.9476 (m-30) cc_final: 0.9274 (m-30) REVERT: I 462 ILE cc_start: 0.8138 (mt) cc_final: 0.7921 (mt) REVERT: I 481 ILE cc_start: 0.9489 (mm) cc_final: 0.9150 (tp) REVERT: I 484 ARG cc_start: 0.7656 (mtp180) cc_final: 0.7161 (ttt180) REVERT: I 489 ASP cc_start: 0.8983 (m-30) cc_final: 0.8599 (p0) REVERT: I 498 ILE cc_start: 0.9119 (mt) cc_final: 0.8883 (mt) REVERT: I 504 GLN cc_start: 0.9366 (tp40) cc_final: 0.8811 (tp40) REVERT: J 17 GLU cc_start: 0.8871 (mm-30) cc_final: 0.8633 (pp20) REVERT: J 69 MET cc_start: 0.8280 (mtt) cc_final: 0.7527 (mtt) REVERT: J 74 GLU cc_start: 0.8732 (mt-10) cc_final: 0.8514 (pt0) REVERT: J 76 ILE cc_start: 0.9551 (mt) cc_final: 0.9273 (mt) REVERT: J 79 TYR cc_start: 0.8770 (m-10) cc_final: 0.8539 (m-80) REVERT: J 113 LEU cc_start: 0.7918 (mt) cc_final: 0.7691 (mt) REVERT: J 142 LYS cc_start: 0.9360 (mttt) cc_final: 0.8952 (mptt) REVERT: J 146 HIS cc_start: 0.9164 (m-70) cc_final: 0.7976 (m90) REVERT: J 157 PHE cc_start: 0.9336 (m-80) cc_final: 0.8844 (m-80) REVERT: J 176 ARG cc_start: 0.8595 (ttp-170) cc_final: 0.8244 (ptm160) REVERT: J 205 TYR cc_start: 0.9048 (p90) cc_final: 0.8494 (p90) REVERT: J 268 GLU cc_start: 0.9132 (tt0) cc_final: 0.8889 (tt0) REVERT: J 284 VAL cc_start: 0.7535 (t) cc_final: 0.7256 (p) REVERT: J 299 GLU cc_start: 0.7066 (mt-10) cc_final: 0.6843 (mt-10) REVERT: J 301 MET cc_start: 0.3626 (tmm) cc_final: 0.3145 (tmm) REVERT: J 348 ASP cc_start: 0.8207 (m-30) cc_final: 0.7797 (m-30) REVERT: J 367 GLN cc_start: 0.9279 (tp40) cc_final: 0.8649 (tp40) REVERT: J 371 MET cc_start: 0.9050 (mtp) cc_final: 0.8711 (mtp) REVERT: J 400 GLU cc_start: 0.9147 (tp30) cc_final: 0.8847 (tp30) REVERT: J 412 HIS cc_start: 0.8375 (m-70) cc_final: 0.8170 (m90) REVERT: J 414 PHE cc_start: 0.9381 (t80) cc_final: 0.8733 (t80) REVERT: J 435 ASP cc_start: 0.9345 (m-30) cc_final: 0.8981 (p0) REVERT: J 448 PHE cc_start: 0.7814 (m-80) cc_final: 0.7476 (m-80) REVERT: J 451 ASP cc_start: 0.9273 (t0) cc_final: 0.9000 (t0) REVERT: J 474 GLU cc_start: 0.8712 (tp30) cc_final: 0.8440 (mt-10) REVERT: J 485 THR cc_start: 0.9387 (m) cc_final: 0.9027 (m) REVERT: J 489 ASP cc_start: 0.8836 (m-30) cc_final: 0.8634 (m-30) REVERT: J 499 GLU cc_start: 0.8871 (mt-10) cc_final: 0.8591 (pp20) REVERT: J 506 GLU cc_start: 0.8673 (mt-10) cc_final: 0.8462 (pt0) REVERT: J 507 GLU cc_start: 0.9073 (mm-30) cc_final: 0.8847 (mm-30) REVERT: K 28 LEU cc_start: 0.9233 (tp) cc_final: 0.8927 (mm) REVERT: K 31 ILE cc_start: 0.7032 (mt) cc_final: 0.6408 (tt) REVERT: K 100 ILE cc_start: 0.9338 (mm) cc_final: 0.9105 (mm) REVERT: K 109 VAL cc_start: 0.8188 (p) cc_final: 0.7848 (p) REVERT: K 127 LEU cc_start: 0.9007 (mt) cc_final: 0.8762 (mt) REVERT: K 129 GLU cc_start: 0.9270 (mm-30) cc_final: 0.9045 (mt-10) REVERT: K 146 HIS cc_start: 0.9593 (m-70) cc_final: 0.9303 (m-70) REVERT: K 158 PHE cc_start: 0.9073 (m-80) cc_final: 0.8776 (m-10) REVERT: K 202 TYR cc_start: 0.6866 (m-80) cc_final: 0.5935 (m-80) REVERT: K 248 LYS cc_start: 0.8878 (mmtm) cc_final: 0.8674 (mttp) REVERT: K 315 ASP cc_start: 0.4876 (t0) cc_final: 0.4637 (t0) REVERT: K 360 GLU cc_start: 0.9655 (mm-30) cc_final: 0.9114 (mm-30) REVERT: K 361 ASP cc_start: 0.8904 (p0) cc_final: 0.8653 (p0) REVERT: K 398 ARG cc_start: 0.7867 (ttm-80) cc_final: 0.6767 (ttt180) REVERT: K 401 LEU cc_start: 0.8867 (mt) cc_final: 0.8511 (mt) REVERT: K 402 THR cc_start: 0.9003 (m) cc_final: 0.8769 (m) REVERT: K 409 GLU cc_start: 0.9310 (mt-10) cc_final: 0.8969 (mt-10) REVERT: K 410 LEU cc_start: 0.9563 (mt) cc_final: 0.9357 (mt) REVERT: K 411 GLN cc_start: 0.8677 (mt0) cc_final: 0.8403 (mt0) REVERT: K 443 ASN cc_start: 0.8782 (t0) cc_final: 0.8417 (t0) REVERT: K 451 ASP cc_start: 0.9041 (t70) cc_final: 0.8502 (p0) REVERT: K 453 TYR cc_start: 0.7653 (t80) cc_final: 0.7286 (t80) REVERT: K 457 LEU cc_start: 0.9519 (mt) cc_final: 0.8856 (mt) REVERT: K 468 ASN cc_start: 0.9063 (m-40) cc_final: 0.8668 (m-40) REVERT: K 472 MET cc_start: 0.9240 (mtm) cc_final: 0.8302 (ptp) REVERT: K 479 LYS cc_start: 0.8359 (mttt) cc_final: 0.8146 (mtpt) REVERT: K 487 MET cc_start: 0.8842 (mtm) cc_final: 0.8594 (ttm) REVERT: K 490 ILE cc_start: 0.9368 (mt) cc_final: 0.8941 (mt) REVERT: K 498 ILE cc_start: 0.9390 (mt) cc_final: 0.8689 (mt) REVERT: L 20 PHE cc_start: 0.8631 (t80) cc_final: 0.8079 (t80) REVERT: L 24 GLU cc_start: 0.8833 (mt-10) cc_final: 0.8347 (mp0) REVERT: L 43 PHE cc_start: 0.7059 (t80) cc_final: 0.6510 (t80) REVERT: L 72 THR cc_start: 0.9580 (m) cc_final: 0.9328 (p) REVERT: L 73 ARG cc_start: 0.9001 (ttm-80) cc_final: 0.8350 (tpt170) REVERT: L 82 LEU cc_start: 0.9374 (mt) cc_final: 0.8847 (mt) REVERT: L 83 MET cc_start: 0.8895 (ttp) cc_final: 0.8422 (tpp) REVERT: L 102 TYR cc_start: 0.5158 (p90) cc_final: 0.4603 (p90) REVERT: L 103 GLU cc_start: 0.6791 (mt-10) cc_final: 0.6172 (mt-10) REVERT: L 113 LEU cc_start: 0.7389 (mt) cc_final: 0.6504 (mt) REVERT: L 127 LEU cc_start: 0.8948 (mt) cc_final: 0.8715 (mt) REVERT: L 259 LYS cc_start: 0.8671 (mttt) cc_final: 0.8260 (ttmt) REVERT: L 268 GLU cc_start: 0.9356 (tt0) cc_final: 0.8567 (tm-30) REVERT: L 314 TYR cc_start: 0.8234 (t80) cc_final: 0.7198 (t80) REVERT: L 363 ARG cc_start: 0.8833 (mtt180) cc_final: 0.8462 (ttm-80) REVERT: L 365 PHE cc_start: 0.9763 (m-80) cc_final: 0.8996 (m-80) REVERT: L 377 LEU cc_start: 0.9315 (mt) cc_final: 0.9068 (mt) REVERT: L 407 ILE cc_start: 0.9542 (mm) cc_final: 0.9060 (mm) REVERT: L 411 GLN cc_start: 0.8993 (mt0) cc_final: 0.8474 (tp40) REVERT: L 414 PHE cc_start: 0.9142 (t80) cc_final: 0.8545 (t80) REVERT: L 415 GLU cc_start: 0.8910 (tt0) cc_final: 0.8531 (mt-10) REVERT: L 416 GLU cc_start: 0.9110 (mm-30) cc_final: 0.8897 (mm-30) REVERT: L 426 LEU cc_start: 0.9642 (mt) cc_final: 0.9363 (mt) REVERT: L 434 GLU cc_start: 0.8230 (tt0) cc_final: 0.7766 (pm20) REVERT: L 449 HIS cc_start: 0.7114 (t70) cc_final: 0.5858 (t70) REVERT: L 468 ASN cc_start: 0.9662 (m-40) cc_final: 0.9458 (m110) REVERT: L 479 LYS cc_start: 0.8178 (mttt) cc_final: 0.7946 (mttm) REVERT: L 503 LYS cc_start: 0.9391 (tttt) cc_final: 0.9152 (tptt) REVERT: L 504 GLN cc_start: 0.8977 (mt0) cc_final: 0.8597 (mt0) REVERT: M 12 TRP cc_start: 0.7217 (m-90) cc_final: 0.5652 (m-90) REVERT: M 15 MET cc_start: 0.8044 (mtm) cc_final: 0.7654 (tpt) REVERT: M 64 SER cc_start: 0.5523 (p) cc_final: 0.5064 (t) REVERT: M 79 TYR cc_start: 0.9515 (m-10) cc_final: 0.9098 (m-80) REVERT: M 84 ASN cc_start: 0.8703 (m-40) cc_final: 0.7814 (m110) REVERT: M 94 GLU cc_start: 0.9521 (tt0) cc_final: 0.9034 (tm-30) REVERT: M 98 ASP cc_start: 0.9555 (m-30) cc_final: 0.8945 (m-30) REVERT: M 123 LYS cc_start: 0.9211 (mttt) cc_final: 0.8945 (mptt) REVERT: M 139 PHE cc_start: 0.8770 (t80) cc_final: 0.8302 (t80) REVERT: M 146 HIS cc_start: 0.8931 (m-70) cc_final: 0.8328 (m-70) REVERT: M 151 TYR cc_start: 0.9440 (t80) cc_final: 0.9190 (t80) REVERT: M 153 ASP cc_start: 0.9131 (m-30) cc_final: 0.8570 (t0) REVERT: M 158 PHE cc_start: 0.9110 (m-80) cc_final: 0.8750 (m-10) REVERT: M 174 LEU cc_start: 0.9213 (mt) cc_final: 0.8439 (mt) REVERT: M 177 LEU cc_start: 0.8981 (mt) cc_final: 0.8695 (mt) REVERT: M 200 LYS cc_start: 0.7040 (mttt) cc_final: 0.6830 (mptt) REVERT: M 235 VAL cc_start: 0.9299 (t) cc_final: 0.8950 (p) REVERT: M 249 ASN cc_start: 0.8572 (m-40) cc_final: 0.8184 (m110) REVERT: M 359 MET cc_start: 0.8785 (mmt) cc_final: 0.8532 (mmt) REVERT: M 367 GLN cc_start: 0.8902 (tp40) cc_final: 0.8642 (tp40) REVERT: M 371 MET cc_start: 0.9354 (mtp) cc_final: 0.9081 (tmm) REVERT: M 399 ASP cc_start: 0.9252 (t70) cc_final: 0.9035 (t0) REVERT: M 406 PHE cc_start: 0.9221 (t80) cc_final: 0.8714 (t80) REVERT: M 418 PHE cc_start: 0.9029 (m-80) cc_final: 0.8744 (m-80) REVERT: M 420 ASP cc_start: 0.9417 (t70) cc_final: 0.9201 (t0) REVERT: M 469 MET cc_start: 0.9405 (mtm) cc_final: 0.9159 (tpt) REVERT: M 476 PHE cc_start: 0.8774 (p90) cc_final: 0.8520 (p90) REVERT: M 499 GLU cc_start: 0.8994 (mt-10) cc_final: 0.8675 (pt0) REVERT: M 504 GLN cc_start: 0.8560 (tp40) cc_final: 0.8132 (tp40) REVERT: M 505 ILE cc_start: 0.7816 (mt) cc_final: 0.7518 (mt) REVERT: N 28 LEU cc_start: 0.8530 (mt) cc_final: 0.8101 (mt) REVERT: N 60 THR cc_start: 0.8247 (m) cc_final: 0.7664 (m) REVERT: N 69 MET cc_start: 0.8477 (mmm) cc_final: 0.7803 (mmm) REVERT: N 89 ASP cc_start: 0.8419 (p0) cc_final: 0.7822 (p0) REVERT: N 103 GLU cc_start: 0.8458 (tp30) cc_final: 0.7754 (tm-30) REVERT: N 107 GLU cc_start: 0.5602 (pm20) cc_final: 0.5212 (pm20) REVERT: N 112 ASN cc_start: 0.8708 (t0) cc_final: 0.8305 (t0) REVERT: N 147 PHE cc_start: 0.9164 (t80) cc_final: 0.8551 (t80) REVERT: N 150 TRP cc_start: 0.9052 (t60) cc_final: 0.7871 (t60) REVERT: N 180 ARG cc_start: 0.7096 (mtm180) cc_final: 0.6621 (mtm-85) REVERT: N 183 GLN cc_start: 0.8070 (tp-100) cc_final: 0.7436 (tp40) REVERT: N 207 ILE cc_start: 0.8916 (mm) cc_final: 0.8055 (tp) REVERT: N 236 VAL cc_start: 0.9608 (t) cc_final: 0.9322 (t) REVERT: N 259 LYS cc_start: 0.8253 (tttp) cc_final: 0.7750 (tttp) REVERT: N 262 ASN cc_start: 0.8683 (m-40) cc_final: 0.7761 (t0) REVERT: N 273 ILE cc_start: 0.9496 (mp) cc_final: 0.8895 (mp) REVERT: N 276 ILE cc_start: 0.8677 (mt) cc_final: 0.8400 (mt) REVERT: N 358 ASN cc_start: 0.4126 (m-40) cc_final: 0.3882 (m110) REVERT: N 403 PHE cc_start: 0.9399 (t80) cc_final: 0.8892 (t80) REVERT: N 414 PHE cc_start: 0.9029 (t80) cc_final: 0.8142 (t80) REVERT: N 438 ASN cc_start: 0.9152 (m-40) cc_final: 0.8895 (m-40) REVERT: N 439 ASP cc_start: 0.8419 (m-30) cc_final: 0.8056 (m-30) REVERT: N 444 ILE cc_start: 0.7788 (mt) cc_final: 0.7256 (mt) REVERT: N 449 HIS cc_start: 0.6946 (t-90) cc_final: 0.6650 (t-90) REVERT: N 464 GLU cc_start: 0.9206 (mt-10) cc_final: 0.8911 (mt-10) REVERT: N 469 MET cc_start: 0.8908 (mmm) cc_final: 0.8665 (mmm) REVERT: N 476 PHE cc_start: 0.9499 (m-80) cc_final: 0.9232 (m-80) REVERT: N 497 GLU cc_start: 0.8811 (tt0) cc_final: 0.8211 (tt0) REVERT: N 504 GLN cc_start: 0.7508 (tp40) cc_final: 0.7118 (tp40) REVERT: N 507 GLU cc_start: 0.9232 (tt0) cc_final: 0.8672 (tm-30) REVERT: O 21 LYS cc_start: 0.7988 (mttt) cc_final: 0.7783 (ptmt) REVERT: O 52 SER cc_start: 0.8064 (m) cc_final: 0.7848 (p) REVERT: O 66 GLU cc_start: 0.8295 (tp30) cc_final: 0.7961 (tp30) REVERT: O 69 MET cc_start: 0.8059 (mmm) cc_final: 0.6986 (mmm) REVERT: O 73 ARG cc_start: 0.7932 (mtt-85) cc_final: 0.7324 (tpp80) REVERT: O 83 MET cc_start: 0.8561 (ttp) cc_final: 0.7834 (tpt) REVERT: O 86 TYR cc_start: 0.9421 (p90) cc_final: 0.9167 (p90) REVERT: O 137 LEU cc_start: 0.9681 (mt) cc_final: 0.9157 (mt) REVERT: O 146 HIS cc_start: 0.8724 (m-70) cc_final: 0.7954 (m90) REVERT: O 156 ILE cc_start: 0.9207 (tt) cc_final: 0.8963 (tt) REVERT: O 159 HIS cc_start: 0.9229 (t70) cc_final: 0.8425 (t70) REVERT: O 193 GLU cc_start: 0.6308 (OUTLIER) cc_final: 0.6101 (mt-10) REVERT: O 242 LEU cc_start: 0.8407 (mt) cc_final: 0.8144 (mt) REVERT: O 249 ASN cc_start: 0.8041 (m-40) cc_final: 0.7056 (m110) REVERT: O 258 VAL cc_start: 0.9355 (p) cc_final: 0.9047 (p) REVERT: O 259 LYS cc_start: 0.8715 (tttp) cc_final: 0.8512 (tttt) REVERT: O 262 ASN cc_start: 0.8934 (m-40) cc_final: 0.8725 (p0) REVERT: O 274 TYR cc_start: 0.8705 (t80) cc_final: 0.8476 (t80) REVERT: O 292 MET cc_start: 0.5908 (mtt) cc_final: 0.4949 (ttp) REVERT: O 312 VAL cc_start: 0.7075 (m) cc_final: 0.6212 (m) REVERT: O 328 MET cc_start: 0.5272 (ttm) cc_final: 0.4749 (ttm) REVERT: O 334 TYR cc_start: 0.8310 (m-80) cc_final: 0.7387 (m-80) REVERT: O 349 THR cc_start: 0.6595 (p) cc_final: 0.6330 (m) REVERT: O 350 LEU cc_start: 0.8139 (mt) cc_final: 0.7806 (mt) REVERT: O 359 MET cc_start: 0.8499 (mtp) cc_final: 0.7496 (mtp) REVERT: O 360 GLU cc_start: 0.9608 (mt-10) cc_final: 0.9352 (mp0) REVERT: O 364 TRP cc_start: 0.9081 (t60) cc_final: 0.8710 (t60) REVERT: O 407 ILE cc_start: 0.9628 (mm) cc_final: 0.9083 (mm) REVERT: O 409 GLU cc_start: 0.9233 (tt0) cc_final: 0.9010 (pt0) REVERT: O 413 LYS cc_start: 0.8941 (mttp) cc_final: 0.8458 (tttm) REVERT: O 414 PHE cc_start: 0.7481 (t80) cc_final: 0.6693 (t80) REVERT: O 416 GLU cc_start: 0.8375 (mm-30) cc_final: 0.7704 (tt0) REVERT: O 437 TRP cc_start: 0.8235 (t-100) cc_final: 0.7937 (t-100) REVERT: O 465 ARG cc_start: 0.9422 (mtm-85) cc_final: 0.9094 (ptp-110) REVERT: O 472 MET cc_start: 0.8697 (mtm) cc_final: 0.8495 (mpp) REVERT: O 476 PHE cc_start: 0.8709 (m-80) cc_final: 0.8459 (m-80) REVERT: O 480 TYR cc_start: 0.6738 (m-80) cc_final: 0.5960 (m-80) REVERT: O 496 GLU cc_start: 0.9581 (mp0) cc_final: 0.9347 (pp20) REVERT: P 14 LYS cc_start: 0.7971 (mttt) cc_final: 0.7333 (mttp) REVERT: P 24 GLU cc_start: 0.9310 (tt0) cc_final: 0.9006 (tp30) REVERT: P 43 PHE cc_start: 0.8382 (t80) cc_final: 0.8032 (t80) REVERT: P 47 SER cc_start: 0.8016 (t) cc_final: 0.7499 (m) REVERT: P 87 GLU cc_start: 0.8912 (mt-10) cc_final: 0.8468 (tp30) REVERT: P 88 VAL cc_start: 0.9467 (t) cc_final: 0.9229 (t) REVERT: P 104 ASP cc_start: 0.9381 (m-30) cc_final: 0.8594 (p0) REVERT: P 105 ASP cc_start: 0.9079 (m-30) cc_final: 0.8419 (t70) REVERT: P 125 MET cc_start: 0.8880 (mmm) cc_final: 0.8444 (mtt) REVERT: P 126 MET cc_start: 0.8326 (mtp) cc_final: 0.8092 (mtm) REVERT: P 156 ILE cc_start: 0.8721 (tt) cc_final: 0.8370 (tt) REVERT: P 158 PHE cc_start: 0.9257 (m-80) cc_final: 0.8727 (m-80) REVERT: P 178 ASP cc_start: 0.8449 (m-30) cc_final: 0.7958 (m-30) REVERT: P 243 VAL cc_start: 0.8521 (m) cc_final: 0.8197 (t) REVERT: P 358 ASN cc_start: 0.8206 (m-40) cc_final: 0.7488 (t0) REVERT: P 362 ILE cc_start: 0.8765 (tt) cc_final: 0.8437 (tt) REVERT: P 373 LEU cc_start: 0.9390 (mt) cc_final: 0.9139 (mt) REVERT: P 396 ILE cc_start: 0.8185 (mm) cc_final: 0.7658 (tt) REVERT: P 400 GLU cc_start: 0.8533 (mm-30) cc_final: 0.8129 (pt0) REVERT: P 413 LYS cc_start: 0.9220 (mttm) cc_final: 0.8996 (mttm) REVERT: P 436 GLU cc_start: 0.8876 (mt-10) cc_final: 0.8039 (mm-30) REVERT: P 448 PHE cc_start: 0.8831 (m-80) cc_final: 0.8260 (m-80) REVERT: P 457 LEU cc_start: 0.9566 (mt) cc_final: 0.9235 (mt) REVERT: P 458 LYS cc_start: 0.8818 (tttt) cc_final: 0.8503 (tmmt) REVERT: P 501 GLU cc_start: 0.8987 (mm-30) cc_final: 0.7945 (tp30) REVERT: P 505 ILE cc_start: 0.7376 (mt) cc_final: 0.5704 (mt) REVERT: P 506 GLU cc_start: 0.8852 (tt0) cc_final: 0.8637 (pt0) outliers start: 41 outliers final: 10 residues processed: 9290 average time/residue: 1.3422 time to fit residues: 21496.6318 Evaluate side-chains 6627 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 15 poor density : 6612 time to evaluate : 12.109 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=5.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 1628 optimal weight: 0.3980 chunk 1461 optimal weight: 4.9990 chunk 810 optimal weight: 2.9990 chunk 499 optimal weight: 2.9990 chunk 985 optimal weight: 0.9980 chunk 780 optimal weight: 0.7980 chunk 1511 optimal weight: 0.9980 chunk 584 optimal weight: 4.9990 chunk 918 optimal weight: 4.9990 chunk 1124 optimal weight: 0.9990 chunk 1750 optimal weight: 0.9990 overall best weight: 0.8382 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** a 505 ASN b 78 ASN ** b 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 240 ASN b 356 GLN b 431 GLN ** c 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 240 ASN c 311 ASN ** c 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 115 GLN ** d 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 497 GLN ** f 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 215 GLN f 311 ASN f 367 GLN g 72 HIS ** g 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 90 GLN h 157 GLN h 191 GLN ** h 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 356 GLN i 157 GLN ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 236 GLN i 276 GLN ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 468 GLN i 497 GLN j 157 GLN j 240 ASN ** j 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 311 ASN j 315 GLN ** j 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 236 GLN ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 427 GLN k 505 ASN l 215 GLN ** l 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 282 HIS ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 257 GLN ** m 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 282 HIS ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 381 ASN m 497 GLN n 90 GLN ** n 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 240 ASN n 384 ASN n 427 GLN ** n 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 191 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 282 HIS ** o 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 72 HIS ** p 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 282 HIS ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 482 ASN ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN ** q 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** q 381 ASN ** q 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 505 ASN r 311 ASN ** r 367 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 482 ASN r 505 ASN ** s 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 381 ASN s 427 GLN s 482 ASN ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 157 GLN t 195 GLN t 282 HIS t 303 ASN ** t 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 118 ASN u 171 GLN ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** v 78 ASN v 171 GLN v 265 GLN ** w 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 195 GLN ** w 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 248 ASN ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 78 ASN x 105 ASN ** x 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 257 GLN x 282 HIS x 303 ASN ** x 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 72 HIS y 90 GLN y 215 GLN ** y 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** z 381 ASN ** z 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 78 ASN B 157 GLN ** B 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 282 HIS B 303 ASN B 356 GLN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 157 GLN C 265 GLN C 276 GLN ** C 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 90 GLN D 240 ASN ** D 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 300 HIS E 504 GLN F 84 ASN F 367 GLN G 23 GLN ** G 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 140 GLN G 159 HIS G 239 HIS G 438 ASN H 23 GLN ** H 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 300 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** H 327 ASN I 212 HIS I 300 HIS J 262 ASN ** J 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 325 GLN J 327 ASN J 411 GLN K 23 GLN K 81 ASN K 262 ASN ** L 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 146 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 212 HIS L 323 ASN L 358 ASN M 255 HIS M 262 ASN M 358 ASN ** M 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** M 442 ASN N 59 GLN N 136 HIS O 212 HIS O 492 GLN Total number of N/Q/H flips: 115 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.6920 moved from start: 0.3689 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.083 153284 Z= 0.267 Angle : 0.805 13.168 207272 Z= 0.442 Chirality : 0.049 0.242 22633 Planarity : 0.005 0.131 27252 Dihedral : 5.784 55.079 21163 Min Nonbonded Distance : 1.982 Molprobity Statistics. All-atom Clashscore : 18.01 Ramachandran Plot: Outliers : 0.23 % Allowed : 5.77 % Favored : 94.00 % Rotamer: Outliers : 0.21 % Allowed : 2.88 % Favored : 96.91 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.04 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -0.55 (0.06), residues: 19365 helix: 0.98 (0.07), residues: 5947 sheet: -1.02 (0.09), residues: 2955 loop : -0.93 (0.06), residues: 10463 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.034 0.003 TRP r 345 HIS 0.014 0.002 HIS I 483 PHE 0.037 0.003 PHE C 350 TYR 0.039 0.003 TYR I 253 ARG 0.022 0.001 ARG H 338 *********************** REFINEMENT MACRO_CYCLE 2 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7890 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 32 poor density : 7858 time to evaluate : 12.127 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.7867 (m-70) cc_final: 0.7549 (m170) REVERT: a 79 ILE cc_start: 0.8510 (mt) cc_final: 0.8292 (mt) REVERT: a 83 GLN cc_start: 0.8300 (tp40) cc_final: 0.7744 (tm-30) REVERT: a 124 VAL cc_start: 0.8656 (p) cc_final: 0.8393 (p) REVERT: a 134 ASP cc_start: 0.8486 (t0) cc_final: 0.7923 (t0) REVERT: a 145 HIS cc_start: 0.8564 (t-90) cc_final: 0.7473 (t-90) REVERT: a 147 MET cc_start: 0.8271 (mmm) cc_final: 0.7913 (mmm) REVERT: a 151 ASP cc_start: 0.8915 (t0) cc_final: 0.8587 (t0) REVERT: a 216 MET cc_start: 0.9712 (ptp) cc_final: 0.9503 (ptp) REVERT: a 223 GLU cc_start: 0.8301 (tt0) cc_final: 0.7899 (tp30) REVERT: a 228 MET cc_start: 0.9217 (mmm) cc_final: 0.8979 (mmm) REVERT: a 250 MET cc_start: 0.7737 (ptp) cc_final: 0.7080 (ptp) REVERT: a 289 GLU cc_start: 0.8997 (tm-30) cc_final: 0.8581 (tm-30) REVERT: a 311 ASN cc_start: 0.7676 (p0) cc_final: 0.6825 (p0) REVERT: a 318 LYS cc_start: 0.9180 (tttp) cc_final: 0.8409 (tttp) REVERT: a 321 MET cc_start: 0.9140 (mmt) cc_final: 0.8627 (mmp) REVERT: a 322 THR cc_start: 0.8426 (p) cc_final: 0.8139 (p) REVERT: a 328 LYS cc_start: 0.8229 (mmmt) cc_final: 0.7778 (mmmt) REVERT: a 331 VAL cc_start: 0.9174 (t) cc_final: 0.8954 (t) REVERT: a 334 PHE cc_start: 0.9098 (m-80) cc_final: 0.8728 (m-80) REVERT: a 336 ASP cc_start: 0.7969 (t0) cc_final: 0.7571 (t0) REVERT: a 350 PHE cc_start: 0.9387 (m-80) cc_final: 0.8865 (m-80) REVERT: a 363 GLU cc_start: 0.9080 (tp30) cc_final: 0.8554 (pt0) REVERT: a 390 ASP cc_start: 0.8131 (t0) cc_final: 0.7794 (t0) REVERT: a 432 ASP cc_start: 0.8344 (t0) cc_final: 0.8113 (t70) REVERT: a 443 GLU cc_start: 0.8581 (mm-30) cc_final: 0.8167 (mm-30) REVERT: a 471 MET cc_start: 0.8045 (ppp) cc_final: 0.7676 (ppp) REVERT: a 473 PHE cc_start: 0.8689 (m-80) cc_final: 0.8005 (m-80) REVERT: a 481 ILE cc_start: 0.9393 (pt) cc_final: 0.8924 (pt) REVERT: a 482 ASN cc_start: 0.9101 (t0) cc_final: 0.8755 (t0) REVERT: a 497 GLN cc_start: 0.7995 (mm-40) cc_final: 0.7618 (mm-40) REVERT: a 505 ASN cc_start: 0.8553 (m110) cc_final: 0.8223 (m110) REVERT: a 507 LEU cc_start: 0.8976 (tt) cc_final: 0.8704 (tt) REVERT: b 133 LYS cc_start: 0.7513 (mtpp) cc_final: 0.7216 (tptt) REVERT: b 147 MET cc_start: 0.7952 (mtm) cc_final: 0.7579 (mtm) REVERT: b 183 GLN cc_start: 0.8978 (pp30) cc_final: 0.8643 (pp30) REVERT: b 190 LEU cc_start: 0.9253 (mt) cc_final: 0.8673 (mt) REVERT: b 199 ASP cc_start: 0.8087 (t0) cc_final: 0.7648 (t0) REVERT: b 207 LYS cc_start: 0.9054 (mttt) cc_final: 0.8680 (mtmt) REVERT: b 212 ILE cc_start: 0.9512 (mt) cc_final: 0.9153 (mt) REVERT: b 216 MET cc_start: 0.9365 (mtm) cc_final: 0.8740 (tpp) REVERT: b 221 LEU cc_start: 0.9259 (mt) cc_final: 0.8703 (mt) REVERT: b 234 GLU cc_start: 0.9143 (tt0) cc_final: 0.8854 (tt0) REVERT: b 247 TRP cc_start: 0.7453 (m100) cc_final: 0.5875 (m100) REVERT: b 252 PHE cc_start: 0.7064 (p90) cc_final: 0.6557 (p90) REVERT: b 257 GLN cc_start: 0.9517 (pt0) cc_final: 0.8646 (pm20) REVERT: b 267 LYS cc_start: 0.8837 (mttp) cc_final: 0.8178 (tptp) REVERT: b 296 THR cc_start: 0.9559 (m) cc_final: 0.9307 (p) REVERT: b 350 PHE cc_start: 0.9548 (m-10) cc_final: 0.9128 (m-10) REVERT: b 426 ASP cc_start: 0.8583 (t0) cc_final: 0.7622 (t0) REVERT: b 427 GLN cc_start: 0.9058 (pt0) cc_final: 0.8724 (pt0) REVERT: b 428 TYR cc_start: 0.9256 (m-80) cc_final: 0.8334 (m-80) REVERT: b 477 TYR cc_start: 0.8919 (p90) cc_final: 0.8294 (p90) REVERT: b 482 ASN cc_start: 0.7989 (t0) cc_final: 0.6307 (t0) REVERT: b 483 PRO cc_start: 0.9512 (Cg_exo) cc_final: 0.8591 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8506 (m-80) cc_final: 0.6484 (m-10) REVERT: b 486 GLU cc_start: 0.8780 (pm20) cc_final: 0.8551 (tt0) REVERT: b 509 LYS cc_start: 0.9278 (mttt) cc_final: 0.8912 (mtmt) REVERT: b 510 ASN cc_start: 0.9434 (t0) cc_final: 0.9026 (p0) REVERT: b 512 TYR cc_start: 0.9130 (m-80) cc_final: 0.8476 (m-80) REVERT: b 513 PHE cc_start: 0.9177 (m-80) cc_final: 0.8490 (m-80) REVERT: c 90 GLN cc_start: 0.8226 (mm-40) cc_final: 0.7754 (mm110) REVERT: c 107 ILE cc_start: 0.8699 (mt) cc_final: 0.8338 (mt) REVERT: c 110 ASP cc_start: 0.7997 (m-30) cc_final: 0.7769 (p0) REVERT: c 123 GLN cc_start: 0.7291 (pt0) cc_final: 0.6808 (pt0) REVERT: c 131 TYR cc_start: 0.9081 (p90) cc_final: 0.8631 (p90) REVERT: c 144 PHE cc_start: 0.9332 (m-80) cc_final: 0.8962 (m-80) REVERT: c 187 THR cc_start: 0.8893 (m) cc_final: 0.8605 (t) REVERT: c 198 ILE cc_start: 0.9196 (tt) cc_final: 0.8990 (tt) REVERT: c 247 TRP cc_start: 0.7354 (m-10) cc_final: 0.6935 (m100) REVERT: c 259 ILE cc_start: 0.8458 (tp) cc_final: 0.8141 (tp) REVERT: c 272 ILE cc_start: 0.7940 (mm) cc_final: 0.7725 (mm) REVERT: c 294 LEU cc_start: 0.9675 (mt) cc_final: 0.9267 (mt) REVERT: c 300 LEU cc_start: 0.9554 (mt) cc_final: 0.9311 (mt) REVERT: c 301 GLU cc_start: 0.9164 (mt-10) cc_final: 0.8143 (mm-30) REVERT: c 305 GLU cc_start: 0.9331 (tt0) cc_final: 0.8968 (tt0) REVERT: c 333 ASP cc_start: 0.9367 (t0) cc_final: 0.8993 (t0) REVERT: c 336 ASP cc_start: 0.8033 (t0) cc_final: 0.7804 (t70) REVERT: c 345 TRP cc_start: 0.6635 (m-90) cc_final: 0.6077 (m-90) REVERT: c 363 GLU cc_start: 0.8677 (tp30) cc_final: 0.7355 (tp30) REVERT: c 366 ARG cc_start: 0.7543 (ttm-80) cc_final: 0.7264 (ttp80) REVERT: c 390 ASP cc_start: 0.7981 (t0) cc_final: 0.7281 (t0) REVERT: c 408 THR cc_start: 0.8464 (p) cc_final: 0.7998 (p) REVERT: c 431 GLN cc_start: 0.9082 (tm-30) cc_final: 0.8753 (tm-30) REVERT: c 444 MET cc_start: 0.6450 (tpt) cc_final: 0.6158 (tpt) REVERT: c 463 ASP cc_start: 0.8669 (t0) cc_final: 0.8417 (t0) REVERT: c 482 ASN cc_start: 0.8389 (t0) cc_final: 0.7501 (m-40) REVERT: c 515 ARG cc_start: 0.8298 (ttt-90) cc_final: 0.7906 (tpt-90) REVERT: d 74 TYR cc_start: 0.7003 (m-10) cc_final: 0.6514 (m-10) REVERT: d 96 MET cc_start: 0.8436 (tpp) cc_final: 0.7870 (tpp) REVERT: d 106 LEU cc_start: 0.9006 (mp) cc_final: 0.8637 (mp) REVERT: d 124 VAL cc_start: 0.9661 (p) cc_final: 0.9418 (t) REVERT: d 125 PHE cc_start: 0.8261 (m-80) cc_final: 0.7779 (m-80) REVERT: d 128 ARG cc_start: 0.8416 (mtm180) cc_final: 0.8176 (mtm180) REVERT: d 279 ARG cc_start: 0.8253 (ttm-80) cc_final: 0.7959 (tpp80) REVERT: d 303 ASN cc_start: 0.8880 (t0) cc_final: 0.8512 (t0) REVERT: d 305 GLU cc_start: 0.9215 (tt0) cc_final: 0.8702 (tt0) REVERT: d 309 TRP cc_start: 0.8884 (m100) cc_final: 0.8027 (m100) REVERT: d 322 THR cc_start: 0.9028 (p) cc_final: 0.8381 (p) REVERT: d 324 THR cc_start: 0.7532 (p) cc_final: 0.7209 (p) REVERT: d 332 PHE cc_start: 0.9307 (t80) cc_final: 0.8424 (t80) REVERT: d 334 PHE cc_start: 0.7404 (m-80) cc_final: 0.6805 (m-80) REVERT: d 336 ASP cc_start: 0.8239 (t0) cc_final: 0.8024 (t0) REVERT: d 348 GLU cc_start: 0.5293 (tt0) cc_final: 0.3603 (tt0) REVERT: d 363 GLU cc_start: 0.9087 (tp30) cc_final: 0.8404 (tp30) REVERT: d 377 ILE cc_start: 0.9160 (mp) cc_final: 0.8765 (tp) REVERT: d 384 ASN cc_start: 0.9204 (m-40) cc_final: 0.8940 (m-40) REVERT: d 390 ASP cc_start: 0.8531 (t0) cc_final: 0.8137 (t0) REVERT: d 391 THR cc_start: 0.9215 (p) cc_final: 0.8668 (t) REVERT: d 412 VAL cc_start: 0.9190 (m) cc_final: 0.8741 (m) REVERT: d 420 LYS cc_start: 0.8493 (tttp) cc_final: 0.8022 (tptp) REVERT: d 424 TYR cc_start: 0.8455 (m-80) cc_final: 0.7716 (m-10) REVERT: d 432 ASP cc_start: 0.8384 (p0) cc_final: 0.7381 (p0) REVERT: d 482 ASN cc_start: 0.5471 (m110) cc_final: 0.4499 (m-40) REVERT: d 512 TYR cc_start: 0.8992 (m-10) cc_final: 0.8741 (m-10) REVERT: d 513 PHE cc_start: 0.9374 (m-80) cc_final: 0.8970 (m-80) REVERT: d 515 ARG cc_start: 0.8937 (tmm160) cc_final: 0.7782 (tmm-80) REVERT: e 96 MET cc_start: 0.8945 (mtm) cc_final: 0.8676 (mtt) REVERT: e 105 ASN cc_start: 0.9035 (t0) cc_final: 0.8640 (m110) REVERT: e 119 SER cc_start: 0.9267 (p) cc_final: 0.8633 (m) REVERT: e 145 HIS cc_start: 0.8624 (t-90) cc_final: 0.7522 (t-90) REVERT: e 189 TYR cc_start: 0.8522 (m-80) cc_final: 0.8133 (m-80) REVERT: e 221 LEU cc_start: 0.9536 (mt) cc_final: 0.9321 (mt) REVERT: e 228 MET cc_start: 0.8601 (ttp) cc_final: 0.8160 (ttp) REVERT: e 236 GLN cc_start: 0.9319 (mm110) cc_final: 0.8960 (mm-40) REVERT: e 250 MET cc_start: 0.7920 (mpp) cc_final: 0.7194 (mpp) REVERT: e 265 GLN cc_start: 0.8679 (pt0) cc_final: 0.7824 (pt0) REVERT: e 309 TRP cc_start: 0.9105 (m100) cc_final: 0.8753 (m100) REVERT: e 345 TRP cc_start: 0.7578 (m-10) cc_final: 0.7149 (m-10) REVERT: e 351 LYS cc_start: 0.8505 (mttm) cc_final: 0.8019 (mttm) REVERT: e 359 LYS cc_start: 0.9329 (mtpt) cc_final: 0.8844 (mtpt) REVERT: e 360 GLU cc_start: 0.8996 (mm-30) cc_final: 0.8266 (mm-30) REVERT: e 363 GLU cc_start: 0.9126 (tp30) cc_final: 0.8763 (tp30) REVERT: e 390 ASP cc_start: 0.8471 (t0) cc_final: 0.8068 (t0) REVERT: e 430 LYS cc_start: 0.8711 (mmtt) cc_final: 0.8397 (mmtt) REVERT: e 434 PHE cc_start: 0.9506 (p90) cc_final: 0.9207 (p90) REVERT: e 448 ILE cc_start: 0.9457 (mt) cc_final: 0.9240 (mt) REVERT: e 463 ASP cc_start: 0.9132 (t0) cc_final: 0.8887 (t0) REVERT: e 468 GLN cc_start: 0.8375 (mt0) cc_final: 0.8057 (mp10) REVERT: e 482 ASN cc_start: 0.9215 (t0) cc_final: 0.8810 (t0) REVERT: e 496 ILE cc_start: 0.8176 (tt) cc_final: 0.7750 (tt) REVERT: e 497 GLN cc_start: 0.8425 (mm110) cc_final: 0.8085 (mm-40) REVERT: e 500 MET cc_start: 0.9168 (mtm) cc_final: 0.8884 (mtm) REVERT: e 507 LEU cc_start: 0.8654 (tt) cc_final: 0.8425 (tp) REVERT: e 513 PHE cc_start: 0.9339 (m-80) cc_final: 0.8697 (m-80) REVERT: e 514 ARG cc_start: 0.9165 (mtp85) cc_final: 0.8765 (mtp85) REVERT: e 516 VAL cc_start: 0.9652 (t) cc_final: 0.9316 (t) REVERT: e 517 TYR cc_start: 0.8576 (m-80) cc_final: 0.8243 (m-10) REVERT: f 96 MET cc_start: 0.8551 (mtm) cc_final: 0.8245 (mtt) REVERT: f 98 MET cc_start: 0.5029 (ptt) cc_final: 0.4582 (ptt) REVERT: f 124 VAL cc_start: 0.9227 (p) cc_final: 0.8808 (p) REVERT: f 128 ARG cc_start: 0.8768 (mtt-85) cc_final: 0.8288 (ttm-80) REVERT: f 130 VAL cc_start: 0.9470 (t) cc_final: 0.9250 (t) REVERT: f 171 GLN cc_start: 0.8794 (pm20) cc_final: 0.8501 (tt0) REVERT: f 173 THR cc_start: 0.8373 (p) cc_final: 0.8035 (p) REVERT: f 176 ASP cc_start: 0.5570 (p0) cc_final: 0.4180 (p0) REVERT: f 249 GLU cc_start: 0.6969 (pt0) cc_final: 0.6655 (pt0) REVERT: f 250 MET cc_start: 0.8748 (mtp) cc_final: 0.8268 (mtp) REVERT: f 257 GLN cc_start: 0.8994 (mm-40) cc_final: 0.8103 (mm-40) REVERT: f 293 ILE cc_start: 0.9350 (mt) cc_final: 0.9013 (mt) REVERT: f 297 GLU cc_start: 0.9397 (mm-30) cc_final: 0.8520 (mm-30) REVERT: f 299 MET cc_start: 0.8612 (mmm) cc_final: 0.8303 (mmm) REVERT: f 303 ASN cc_start: 0.8899 (t0) cc_final: 0.8407 (t0) REVERT: f 310 ILE cc_start: 0.9611 (mt) cc_final: 0.9366 (mm) REVERT: f 311 ASN cc_start: 0.9356 (m110) cc_final: 0.9026 (m-40) REVERT: f 312 TYR cc_start: 0.9045 (t80) cc_final: 0.8766 (t80) REVERT: f 318 LYS cc_start: 0.9443 (mttm) cc_final: 0.8510 (mttm) REVERT: f 324 THR cc_start: 0.9160 (t) cc_final: 0.8880 (p) REVERT: f 335 GLN cc_start: 0.8788 (mp10) cc_final: 0.8239 (tp40) REVERT: f 338 ILE cc_start: 0.9590 (mm) cc_final: 0.9132 (tp) REVERT: f 350 PHE cc_start: 0.9541 (m-10) cc_final: 0.9276 (m-80) REVERT: f 367 GLN cc_start: 0.8010 (OUTLIER) cc_final: 0.7557 (mm-40) REVERT: f 375 PHE cc_start: 0.9594 (p90) cc_final: 0.9332 (p90) REVERT: f 386 LEU cc_start: 0.9758 (mt) cc_final: 0.9523 (mt) REVERT: f 390 ASP cc_start: 0.9334 (t0) cc_final: 0.8925 (t0) REVERT: f 413 PHE cc_start: 0.8822 (t80) cc_final: 0.8563 (t80) REVERT: f 426 ASP cc_start: 0.9109 (t0) cc_final: 0.8651 (t0) REVERT: f 428 TYR cc_start: 0.9414 (m-80) cc_final: 0.8890 (m-80) REVERT: f 431 GLN cc_start: 0.8223 (tm-30) cc_final: 0.7979 (tm-30) REVERT: f 462 SER cc_start: 0.8432 (p) cc_final: 0.8104 (t) REVERT: f 468 GLN cc_start: 0.8714 (mm110) cc_final: 0.8400 (mm-40) REVERT: f 510 ASN cc_start: 0.9073 (t0) cc_final: 0.8412 (t0) REVERT: f 513 PHE cc_start: 0.9188 (m-80) cc_final: 0.8960 (m-80) REVERT: f 514 ARG cc_start: 0.8162 (mmm-85) cc_final: 0.6877 (mmm-85) REVERT: g 106 LEU cc_start: 0.9048 (pp) cc_final: 0.8754 (pp) REVERT: g 117 MET cc_start: 0.8554 (mtp) cc_final: 0.7612 (mtp) REVERT: g 127 LEU cc_start: 0.7531 (tp) cc_final: 0.7324 (tp) REVERT: g 128 ARG cc_start: 0.8714 (mtt-85) cc_final: 0.8432 (mtt90) REVERT: g 134 ASP cc_start: 0.8404 (t0) cc_final: 0.8045 (t0) REVERT: g 145 HIS cc_start: 0.8791 (t-90) cc_final: 0.8533 (t-90) REVERT: g 147 MET cc_start: 0.9111 (mmp) cc_final: 0.8551 (tpp) REVERT: g 161 LYS cc_start: 0.9358 (mmpt) cc_final: 0.9139 (mmmm) REVERT: g 180 HIS cc_start: 0.8156 (t70) cc_final: 0.7742 (t70) REVERT: g 182 PHE cc_start: 0.9281 (m-80) cc_final: 0.8010 (m-80) REVERT: g 199 ASP cc_start: 0.8221 (t0) cc_final: 0.7898 (t0) REVERT: g 212 ILE cc_start: 0.9656 (mt) cc_final: 0.9253 (mt) REVERT: g 216 MET cc_start: 0.9563 (mtm) cc_final: 0.8984 (mtm) REVERT: g 245 ASN cc_start: 0.8394 (t0) cc_final: 0.8085 (t0) REVERT: g 249 GLU cc_start: 0.7596 (pm20) cc_final: 0.6694 (pm20) REVERT: g 250 MET cc_start: 0.7907 (mtp) cc_final: 0.6165 (mtp) REVERT: g 260 GLU cc_start: 0.7972 (mt-10) cc_final: 0.6922 (mt-10) REVERT: g 272 ILE cc_start: 0.8545 (tt) cc_final: 0.8258 (tp) REVERT: g 273 GLU cc_start: 0.9301 (mp0) cc_final: 0.8312 (tp30) REVERT: g 299 MET cc_start: 0.9305 (ttt) cc_final: 0.8707 (ttt) REVERT: g 315 GLN cc_start: 0.7266 (mt0) cc_final: 0.7023 (mt0) REVERT: g 323 LEU cc_start: 0.8992 (tp) cc_final: 0.8787 (tp) REVERT: g 350 PHE cc_start: 0.9558 (m-10) cc_final: 0.8967 (m-10) REVERT: g 351 LYS cc_start: 0.9277 (mmtt) cc_final: 0.9045 (mmtt) REVERT: g 372 GLU cc_start: 0.8948 (pt0) cc_final: 0.8252 (mt-10) REVERT: g 390 ASP cc_start: 0.8962 (t70) cc_final: 0.8649 (t70) REVERT: g 398 GLN cc_start: 0.8527 (tm-30) cc_final: 0.7616 (tp40) REVERT: g 426 ASP cc_start: 0.8019 (t0) cc_final: 0.7418 (t0) REVERT: g 433 TYR cc_start: 0.8597 (p90) cc_final: 0.8195 (p90) REVERT: g 463 ASP cc_start: 0.9150 (t0) cc_final: 0.8944 (t70) REVERT: g 465 LYS cc_start: 0.8959 (mttt) cc_final: 0.8315 (tmtt) REVERT: g 482 ASN cc_start: 0.8839 (t0) cc_final: 0.7805 (t0) REVERT: g 500 MET cc_start: 0.8539 (mtt) cc_final: 0.8330 (ttm) REVERT: g 505 ASN cc_start: 0.9211 (t0) cc_final: 0.8699 (t0) REVERT: g 507 LEU cc_start: 0.8660 (tt) cc_final: 0.8451 (tt) REVERT: g 513 PHE cc_start: 0.9455 (m-80) cc_final: 0.8903 (m-80) REVERT: g 514 ARG cc_start: 0.9031 (mtp85) cc_final: 0.8093 (mtp180) REVERT: g 517 TYR cc_start: 0.9017 (m-80) cc_final: 0.8694 (m-10) REVERT: h 72 HIS cc_start: 0.7177 (m-70) cc_final: 0.6556 (m-70) REVERT: h 153 MET cc_start: 0.9204 (mtm) cc_final: 0.8884 (mtt) REVERT: h 162 LYS cc_start: 0.9382 (tptp) cc_final: 0.9089 (tptt) REVERT: h 166 LEU cc_start: 0.9442 (mt) cc_final: 0.9080 (mt) REVERT: h 215 GLN cc_start: 0.9621 (mt0) cc_final: 0.9168 (mm110) REVERT: h 249 GLU cc_start: 0.6817 (mt-10) cc_final: 0.6225 (mt-10) REVERT: h 250 MET cc_start: 0.9132 (mtp) cc_final: 0.7056 (ptp) REVERT: h 311 ASN cc_start: 0.9041 (m-40) cc_final: 0.8652 (m-40) REVERT: h 345 TRP cc_start: 0.8572 (p-90) cc_final: 0.7575 (p-90) REVERT: h 357 ILE cc_start: 0.9702 (mt) cc_final: 0.9393 (mt) REVERT: h 363 GLU cc_start: 0.9022 (tm-30) cc_final: 0.8290 (tm-30) REVERT: h 404 PHE cc_start: 0.6036 (m-80) cc_final: 0.5556 (m-80) REVERT: h 426 ASP cc_start: 0.9353 (t0) cc_final: 0.8912 (t0) REVERT: h 432 ASP cc_start: 0.8214 (t0) cc_final: 0.7884 (t70) REVERT: h 448 ILE cc_start: 0.8866 (tp) cc_final: 0.8657 (mt) REVERT: h 481 ILE cc_start: 0.8283 (mt) cc_final: 0.7940 (mt) REVERT: h 484 PHE cc_start: 0.8993 (m-80) cc_final: 0.8294 (m-10) REVERT: h 503 ILE cc_start: 0.7800 (pt) cc_final: 0.7448 (pt) REVERT: h 504 LEU cc_start: 0.8811 (mt) cc_final: 0.8526 (tt) REVERT: h 514 ARG cc_start: 0.8025 (mtp85) cc_final: 0.7045 (ttm110) REVERT: i 71 ASP cc_start: 0.7940 (t0) cc_final: 0.7286 (t0) REVERT: i 83 GLN cc_start: 0.6670 (tp40) cc_final: 0.6422 (tt0) REVERT: i 103 ILE cc_start: 0.7958 (mt) cc_final: 0.6928 (mt) REVERT: i 104 PRO cc_start: 0.9269 (Cg_exo) cc_final: 0.8640 (Cg_endo) REVERT: i 106 LEU cc_start: 0.8372 (mt) cc_final: 0.8157 (mp) REVERT: i 110 ASP cc_start: 0.7703 (m-30) cc_final: 0.7278 (m-30) REVERT: i 125 PHE cc_start: 0.7303 (m-80) cc_final: 0.6150 (m-80) REVERT: i 142 GLU cc_start: 0.8908 (tt0) cc_final: 0.8480 (mt-10) REVERT: i 145 HIS cc_start: 0.8740 (t-90) cc_final: 0.6175 (t-90) REVERT: i 147 MET cc_start: 0.8067 (mmm) cc_final: 0.7499 (mmm) REVERT: i 148 TYR cc_start: 0.7655 (m-80) cc_final: 0.6918 (m-80) REVERT: i 176 ASP cc_start: 0.8524 (m-30) cc_final: 0.8104 (m-30) REVERT: i 180 HIS cc_start: 0.8998 (t70) cc_final: 0.8720 (t-90) REVERT: i 191 GLN cc_start: 0.9533 (tt0) cc_final: 0.9128 (tm-30) REVERT: i 199 ASP cc_start: 0.7726 (t70) cc_final: 0.7490 (t70) REVERT: i 216 MET cc_start: 0.9395 (mtp) cc_final: 0.9153 (mtp) REVERT: i 250 MET cc_start: 0.7336 (mtm) cc_final: 0.5854 (ptp) REVERT: i 255 ASP cc_start: 0.7547 (p0) cc_final: 0.6820 (p0) REVERT: i 257 GLN cc_start: 0.8338 (pt0) cc_final: 0.7948 (pt0) REVERT: i 264 ARG cc_start: 0.8624 (mtp85) cc_final: 0.7920 (mmt180) REVERT: i 271 SER cc_start: 0.6235 (m) cc_final: 0.5730 (t) REVERT: i 272 ILE cc_start: 0.8594 (mt) cc_final: 0.7697 (mp) REVERT: i 289 GLU cc_start: 0.9236 (mm-30) cc_final: 0.8982 (mm-30) REVERT: i 291 SER cc_start: 0.9209 (t) cc_final: 0.9004 (p) REVERT: i 299 MET cc_start: 0.9285 (mmt) cc_final: 0.9076 (mmm) REVERT: i 301 GLU cc_start: 0.8854 (mt-10) cc_final: 0.8414 (mm-30) REVERT: i 309 TRP cc_start: 0.9227 (m100) cc_final: 0.7608 (m100) REVERT: i 315 GLN cc_start: 0.7320 (mt0) cc_final: 0.6868 (mt0) REVERT: i 331 VAL cc_start: 0.9120 (p) cc_final: 0.8880 (p) REVERT: i 336 ASP cc_start: 0.7952 (t0) cc_final: 0.7527 (t0) REVERT: i 340 ILE cc_start: 0.9244 (pt) cc_final: 0.8940 (mt) REVERT: i 351 LYS cc_start: 0.9423 (ttmt) cc_final: 0.9216 (ttmt) REVERT: i 360 GLU cc_start: 0.9004 (mm-30) cc_final: 0.8707 (mm-30) REVERT: i 363 GLU cc_start: 0.8765 (tm-30) cc_final: 0.8380 (tm-30) REVERT: i 390 ASP cc_start: 0.8745 (t0) cc_final: 0.8325 (t0) REVERT: i 398 GLN cc_start: 0.8157 (tm-30) cc_final: 0.7938 (tm-30) REVERT: i 426 ASP cc_start: 0.8809 (t0) cc_final: 0.8478 (t0) REVERT: i 444 MET cc_start: 0.8763 (mmm) cc_final: 0.7986 (tpp) REVERT: i 513 PHE cc_start: 0.8450 (m-10) cc_final: 0.8168 (m-10) REVERT: j 98 MET cc_start: 0.8542 (ptm) cc_final: 0.8328 (ptm) REVERT: j 105 ASN cc_start: 0.9004 (t0) cc_final: 0.8497 (p0) REVERT: j 117 MET cc_start: 0.7972 (mmt) cc_final: 0.7309 (mmt) REVERT: j 144 PHE cc_start: 0.9187 (m-80) cc_final: 0.8310 (m-80) REVERT: j 157 GLN cc_start: 0.9441 (tp-100) cc_final: 0.9136 (tp-100) REVERT: j 182 PHE cc_start: 0.9295 (m-80) cc_final: 0.8111 (m-80) REVERT: j 204 ASP cc_start: 0.9011 (t70) cc_final: 0.8728 (t70) REVERT: j 209 ASP cc_start: 0.9156 (m-30) cc_final: 0.8803 (m-30) REVERT: j 212 ILE cc_start: 0.9536 (mt) cc_final: 0.9221 (mt) REVERT: j 213 LYS cc_start: 0.9320 (mttt) cc_final: 0.9031 (mttt) REVERT: j 215 GLN cc_start: 0.9271 (mm110) cc_final: 0.8940 (mp10) REVERT: j 235 LEU cc_start: 0.8024 (mp) cc_final: 0.7815 (mt) REVERT: j 303 ASN cc_start: 0.9439 (m-40) cc_final: 0.9212 (t0) REVERT: j 305 GLU cc_start: 0.9272 (tt0) cc_final: 0.8928 (tt0) REVERT: j 312 TYR cc_start: 0.9293 (t80) cc_final: 0.8926 (t80) REVERT: j 318 LYS cc_start: 0.8497 (tttt) cc_final: 0.7121 (tttm) REVERT: j 336 ASP cc_start: 0.6917 (t0) cc_final: 0.6338 (t70) REVERT: j 344 ARG cc_start: 0.8996 (mpp-170) cc_final: 0.8669 (mmt180) REVERT: j 385 VAL cc_start: 0.9792 (t) cc_final: 0.9572 (p) REVERT: j 389 VAL cc_start: 0.8809 (p) cc_final: 0.8576 (p) REVERT: j 395 TYR cc_start: 0.7434 (t80) cc_final: 0.7156 (t80) REVERT: j 404 PHE cc_start: 0.7585 (m-80) cc_final: 0.7150 (m-80) REVERT: j 448 ILE cc_start: 0.9349 (mm) cc_final: 0.8969 (mm) REVERT: j 484 PHE cc_start: 0.8632 (m-80) cc_final: 0.8422 (m-80) REVERT: j 513 PHE cc_start: 0.9331 (m-80) cc_final: 0.8966 (m-80) REVERT: k 101 ARG cc_start: 0.8308 (tpp-160) cc_final: 0.7172 (tpp80) REVERT: k 115 GLN cc_start: 0.8814 (tp40) cc_final: 0.8545 (tm-30) REVERT: k 118 ASN cc_start: 0.9435 (p0) cc_final: 0.9060 (p0) REVERT: k 127 LEU cc_start: 0.9342 (tt) cc_final: 0.8940 (pp) REVERT: k 183 GLN cc_start: 0.9035 (mt0) cc_final: 0.8596 (mp10) REVERT: k 189 TYR cc_start: 0.7808 (m-80) cc_final: 0.6581 (m-80) REVERT: k 199 ASP cc_start: 0.6466 (t0) cc_final: 0.5971 (t0) REVERT: k 212 ILE cc_start: 0.9764 (mt) cc_final: 0.9538 (mt) REVERT: k 214 LYS cc_start: 0.8672 (tttt) cc_final: 0.8138 (ptmm) REVERT: k 217 GLU cc_start: 0.9448 (pt0) cc_final: 0.9152 (pt0) REVERT: k 245 ASN cc_start: 0.6283 (p0) cc_final: 0.5904 (p0) REVERT: k 247 TRP cc_start: 0.7939 (m-10) cc_final: 0.7626 (m-90) REVERT: k 262 LYS cc_start: 0.8483 (mttt) cc_final: 0.7528 (mtmt) REVERT: k 265 GLN cc_start: 0.8869 (pt0) cc_final: 0.8454 (pt0) REVERT: k 276 GLN cc_start: 0.9222 (mm-40) cc_final: 0.8666 (mm-40) REVERT: k 293 ILE cc_start: 0.9411 (mt) cc_final: 0.9166 (mt) REVERT: k 297 GLU cc_start: 0.9035 (mm-30) cc_final: 0.8649 (mm-30) REVERT: k 299 MET cc_start: 0.8805 (mtp) cc_final: 0.8559 (mtp) REVERT: k 304 ARG cc_start: 0.9207 (mmm160) cc_final: 0.8768 (tpp80) REVERT: k 307 VAL cc_start: 0.9730 (t) cc_final: 0.9501 (t) REVERT: k 309 TRP cc_start: 0.8909 (m100) cc_final: 0.8392 (m100) REVERT: k 311 ASN cc_start: 0.9520 (m-40) cc_final: 0.8530 (t0) REVERT: k 322 THR cc_start: 0.8936 (p) cc_final: 0.8253 (p) REVERT: k 324 THR cc_start: 0.9099 (m) cc_final: 0.8781 (p) REVERT: k 335 GLN cc_start: 0.8817 (mm-40) cc_final: 0.8281 (mm-40) REVERT: k 336 ASP cc_start: 0.7957 (t0) cc_final: 0.7615 (t0) REVERT: k 351 LYS cc_start: 0.9332 (mttm) cc_final: 0.8752 (mttm) REVERT: k 359 LYS cc_start: 0.9583 (tttt) cc_final: 0.9249 (tttt) REVERT: k 360 GLU cc_start: 0.9279 (mm-30) cc_final: 0.7924 (mm-30) REVERT: k 363 GLU cc_start: 0.8731 (tp30) cc_final: 0.7545 (tp30) REVERT: k 366 ARG cc_start: 0.8838 (ptm-80) cc_final: 0.8578 (ttp80) REVERT: k 367 GLN cc_start: 0.8226 (mt0) cc_final: 0.7279 (mt0) REVERT: k 375 PHE cc_start: 0.9716 (p90) cc_final: 0.9410 (p90) REVERT: k 390 ASP cc_start: 0.9420 (t0) cc_final: 0.9210 (t70) REVERT: k 398 GLN cc_start: 0.8029 (tp40) cc_final: 0.7400 (tp40) REVERT: k 404 PHE cc_start: 0.8877 (m-80) cc_final: 0.8315 (m-10) REVERT: k 405 SER cc_start: 0.8548 (t) cc_final: 0.8260 (m) REVERT: k 410 LYS cc_start: 0.8518 (mttt) cc_final: 0.8257 (mmmt) REVERT: k 439 LYS cc_start: 0.8947 (tptp) cc_final: 0.8264 (tttt) REVERT: k 443 GLU cc_start: 0.8659 (tp30) cc_final: 0.8404 (tp30) REVERT: k 444 MET cc_start: 0.8825 (mtp) cc_final: 0.7957 (mpp) REVERT: k 448 ILE cc_start: 0.8216 (pt) cc_final: 0.7868 (mp) REVERT: k 449 TYR cc_start: 0.9193 (m-80) cc_final: 0.8280 (m-80) REVERT: k 471 MET cc_start: 0.7469 (tmm) cc_final: 0.7015 (tmm) REVERT: k 473 PHE cc_start: 0.7356 (m-80) cc_final: 0.6029 (m-80) REVERT: k 505 ASN cc_start: 0.8820 (m110) cc_final: 0.8401 (m110) REVERT: k 513 PHE cc_start: 0.9010 (m-80) cc_final: 0.8480 (m-80) REVERT: k 518 VAL cc_start: 0.9295 (m) cc_final: 0.8788 (m) REVERT: l 74 TYR cc_start: 0.8633 (m-80) cc_final: 0.7789 (m-80) REVERT: l 83 GLN cc_start: 0.8207 (tp-100) cc_final: 0.7852 (tp40) REVERT: l 98 MET cc_start: 0.7438 (ppp) cc_final: 0.7168 (ppp) REVERT: l 131 TYR cc_start: 0.7579 (p90) cc_final: 0.7050 (p90) REVERT: l 147 MET cc_start: 0.8472 (mmp) cc_final: 0.8195 (mmp) REVERT: l 148 TYR cc_start: 0.7475 (m-80) cc_final: 0.6388 (m-80) REVERT: l 151 ASP cc_start: 0.8408 (t0) cc_final: 0.8106 (t0) REVERT: l 171 GLN cc_start: 0.9029 (pm20) cc_final: 0.8740 (tm-30) REVERT: l 198 ILE cc_start: 0.9357 (tp) cc_final: 0.8979 (tp) REVERT: l 199 ASP cc_start: 0.8933 (t0) cc_final: 0.8360 (t0) REVERT: l 212 ILE cc_start: 0.9685 (mt) cc_final: 0.9386 (mt) REVERT: l 213 LYS cc_start: 0.9485 (mttt) cc_final: 0.8824 (mttt) REVERT: l 216 MET cc_start: 0.9439 (mtm) cc_final: 0.9219 (mtm) REVERT: l 252 PHE cc_start: 0.9364 (p90) cc_final: 0.9004 (p90) REVERT: l 267 LYS cc_start: 0.8519 (ttpt) cc_final: 0.8071 (ttpt) REVERT: l 301 GLU cc_start: 0.8887 (tt0) cc_final: 0.8074 (tt0) REVERT: l 303 ASN cc_start: 0.8220 (t0) cc_final: 0.7945 (t0) REVERT: l 309 TRP cc_start: 0.9089 (m100) cc_final: 0.7942 (m100) REVERT: l 311 ASN cc_start: 0.9192 (t0) cc_final: 0.8925 (t0) REVERT: l 334 PHE cc_start: 0.8539 (m-80) cc_final: 0.8074 (m-80) REVERT: l 354 LEU cc_start: 0.9702 (mt) cc_final: 0.9402 (mt) REVERT: l 363 GLU cc_start: 0.8941 (tp30) cc_final: 0.8221 (tp30) REVERT: l 366 ARG cc_start: 0.8944 (ttt-90) cc_final: 0.8256 (tmm-80) REVERT: l 386 LEU cc_start: 0.9612 (mt) cc_final: 0.9393 (mt) REVERT: l 404 PHE cc_start: 0.8470 (m-80) cc_final: 0.7534 (m-80) REVERT: l 417 LEU cc_start: 0.8947 (tp) cc_final: 0.8701 (tp) REVERT: l 426 ASP cc_start: 0.9124 (t0) cc_final: 0.8790 (t0) REVERT: l 442 ASN cc_start: 0.8863 (t0) cc_final: 0.8327 (t0) REVERT: l 443 GLU cc_start: 0.8602 (mt-10) cc_final: 0.8214 (mt-10) REVERT: l 459 LEU cc_start: 0.9504 (tp) cc_final: 0.9034 (tt) REVERT: l 463 ASP cc_start: 0.8386 (t0) cc_final: 0.8148 (t70) REVERT: l 468 GLN cc_start: 0.8199 (mm-40) cc_final: 0.7720 (mm-40) REVERT: l 481 ILE cc_start: 0.8526 (pt) cc_final: 0.8213 (pt) REVERT: l 484 PHE cc_start: 0.8764 (m-10) cc_final: 0.8309 (m-10) REVERT: l 510 ASN cc_start: 0.9085 (t0) cc_final: 0.8643 (t0) REVERT: l 512 TYR cc_start: 0.9275 (m-80) cc_final: 0.8838 (m-10) REVERT: l 513 PHE cc_start: 0.9390 (m-80) cc_final: 0.8620 (m-80) REVERT: m 72 HIS cc_start: 0.6465 (m170) cc_final: 0.5932 (m170) REVERT: m 78 ASN cc_start: 0.9107 (m-40) cc_final: 0.8770 (p0) REVERT: m 79 ILE cc_start: 0.9623 (mt) cc_final: 0.8923 (mt) REVERT: m 105 ASN cc_start: 0.7896 (m-40) cc_final: 0.7675 (m-40) REVERT: m 131 TYR cc_start: 0.9256 (p90) cc_final: 0.8395 (p90) REVERT: m 141 LYS cc_start: 0.9226 (mmmt) cc_final: 0.8910 (mmmm) REVERT: m 145 HIS cc_start: 0.8249 (t-90) cc_final: 0.7439 (t-90) REVERT: m 147 MET cc_start: 0.8017 (mmm) cc_final: 0.7786 (tpt) REVERT: m 162 LYS cc_start: 0.9187 (ttpt) cc_final: 0.8636 (tptp) REVERT: m 180 HIS cc_start: 0.8532 (t70) cc_final: 0.7919 (t-90) REVERT: m 182 PHE cc_start: 0.8894 (m-80) cc_final: 0.8055 (m-80) REVERT: m 212 ILE cc_start: 0.9472 (mt) cc_final: 0.9272 (pt) REVERT: m 216 MET cc_start: 0.9072 (mtp) cc_final: 0.8713 (mtp) REVERT: m 252 PHE cc_start: 0.9038 (p90) cc_final: 0.8608 (p90) REVERT: m 284 MET cc_start: 0.7821 (mtm) cc_final: 0.7492 (mtt) REVERT: m 289 GLU cc_start: 0.9196 (mm-30) cc_final: 0.8392 (mp0) REVERT: m 297 GLU cc_start: 0.9324 (mt-10) cc_final: 0.9039 (mt-10) REVERT: m 309 TRP cc_start: 0.9243 (m100) cc_final: 0.8317 (m100) REVERT: m 311 ASN cc_start: 0.9505 (m-40) cc_final: 0.9304 (t0) REVERT: m 319 SER cc_start: 0.9495 (p) cc_final: 0.9260 (p) REVERT: m 332 PHE cc_start: 0.9358 (t80) cc_final: 0.8977 (t80) REVERT: m 336 ASP cc_start: 0.7894 (t0) cc_final: 0.7461 (t0) REVERT: m 354 LEU cc_start: 0.9708 (mt) cc_final: 0.9326 (tt) REVERT: m 390 ASP cc_start: 0.9086 (t0) cc_final: 0.8852 (t70) REVERT: m 400 LEU cc_start: 0.8937 (mt) cc_final: 0.8438 (mt) REVERT: m 426 ASP cc_start: 0.8156 (t0) cc_final: 0.7738 (t0) REVERT: m 427 GLN cc_start: 0.8110 (pt0) cc_final: 0.7565 (pt0) REVERT: m 439 LYS cc_start: 0.8898 (tmmt) cc_final: 0.8420 (ttpt) REVERT: m 468 GLN cc_start: 0.8790 (mm-40) cc_final: 0.8444 (mm-40) REVERT: m 473 PHE cc_start: 0.9163 (m-80) cc_final: 0.8467 (m-80) REVERT: m 481 ILE cc_start: 0.9570 (mp) cc_final: 0.9290 (mp) REVERT: m 482 ASN cc_start: 0.9296 (t0) cc_final: 0.8471 (t0) REVERT: m 484 PHE cc_start: 0.8180 (m-80) cc_final: 0.7575 (m-80) REVERT: m 509 LYS cc_start: 0.9103 (mmtp) cc_final: 0.8859 (mmtp) REVERT: n 117 MET cc_start: 0.8256 (mtm) cc_final: 0.8046 (mtm) REVERT: n 124 VAL cc_start: 0.9134 (t) cc_final: 0.8672 (t) REVERT: n 145 HIS cc_start: 0.7749 (t-90) cc_final: 0.7172 (t-90) REVERT: n 148 TYR cc_start: 0.8101 (m-10) cc_final: 0.7663 (m-10) REVERT: n 153 MET cc_start: 0.8852 (mpp) cc_final: 0.8125 (mpp) REVERT: n 154 PHE cc_start: 0.8785 (t80) cc_final: 0.8355 (t80) REVERT: n 161 LYS cc_start: 0.8698 (tmmt) cc_final: 0.8326 (tmmt) REVERT: n 172 THR cc_start: 0.9458 (p) cc_final: 0.7980 (t) REVERT: n 182 PHE cc_start: 0.8206 (m-80) cc_final: 0.7560 (m-10) REVERT: n 187 THR cc_start: 0.8824 (m) cc_final: 0.8140 (m) REVERT: n 189 TYR cc_start: 0.8912 (m-80) cc_final: 0.8646 (m-80) REVERT: n 191 GLN cc_start: 0.8509 (tt0) cc_final: 0.8106 (tt0) REVERT: n 221 LEU cc_start: 0.8795 (mt) cc_final: 0.8452 (mt) REVERT: n 223 GLU cc_start: 0.8845 (tp30) cc_final: 0.8532 (tp30) REVERT: n 273 GLU cc_start: 0.9170 (mp0) cc_final: 0.8895 (pm20) REVERT: n 319 SER cc_start: 0.9709 (t) cc_final: 0.9492 (m) REVERT: n 321 MET cc_start: 0.8590 (mtp) cc_final: 0.8288 (mtt) REVERT: n 322 THR cc_start: 0.9476 (p) cc_final: 0.9116 (p) REVERT: n 324 THR cc_start: 0.9024 (m) cc_final: 0.8285 (p) REVERT: n 327 SER cc_start: 0.4374 (p) cc_final: 0.4107 (p) REVERT: n 333 ASP cc_start: 0.8303 (t0) cc_final: 0.7794 (t0) REVERT: n 336 ASP cc_start: 0.8646 (t0) cc_final: 0.8303 (t0) REVERT: n 345 TRP cc_start: 0.8943 (t-100) cc_final: 0.8300 (t-100) REVERT: n 356 GLN cc_start: 0.9368 (mm-40) cc_final: 0.8708 (mm-40) REVERT: n 359 LYS cc_start: 0.9523 (tttp) cc_final: 0.9262 (tttp) REVERT: n 360 GLU cc_start: 0.9461 (mm-30) cc_final: 0.8436 (mm-30) REVERT: n 398 GLN cc_start: 0.9508 (tm-30) cc_final: 0.9109 (tm-30) REVERT: n 406 THR cc_start: 0.8917 (p) cc_final: 0.8560 (t) REVERT: n 417 LEU cc_start: 0.9342 (tp) cc_final: 0.8922 (tp) REVERT: n 426 ASP cc_start: 0.8962 (t0) cc_final: 0.8683 (t0) REVERT: n 434 PHE cc_start: 0.9385 (p90) cc_final: 0.9170 (p90) REVERT: n 443 GLU cc_start: 0.8559 (tt0) cc_final: 0.8315 (tm-30) REVERT: n 444 MET cc_start: 0.9129 (mtp) cc_final: 0.8861 (mmm) REVERT: n 481 ILE cc_start: 0.9148 (pt) cc_final: 0.8870 (mp) REVERT: n 482 ASN cc_start: 0.9166 (t0) cc_final: 0.8362 (m-40) REVERT: n 483 PRO cc_start: 0.9686 (Cg_exo) cc_final: 0.9485 (Cg_endo) REVERT: n 484 PHE cc_start: 0.7244 (m-80) cc_final: 0.6319 (m-80) REVERT: n 505 ASN cc_start: 0.9022 (t0) cc_final: 0.8619 (t0) REVERT: o 106 LEU cc_start: 0.8337 (mt) cc_final: 0.8119 (mt) REVERT: o 145 HIS cc_start: 0.8885 (t-90) cc_final: 0.7948 (t-90) REVERT: o 153 MET cc_start: 0.7052 (mmm) cc_final: 0.5961 (mmm) REVERT: o 154 PHE cc_start: 0.8677 (t80) cc_final: 0.8254 (t80) REVERT: o 187 THR cc_start: 0.8769 (m) cc_final: 0.8556 (m) REVERT: o 197 THR cc_start: 0.9028 (t) cc_final: 0.8749 (m) REVERT: o 198 ILE cc_start: 0.9468 (tp) cc_final: 0.8846 (tp) REVERT: o 208 LEU cc_start: 0.8940 (tt) cc_final: 0.8728 (tt) REVERT: o 211 GLU cc_start: 0.9246 (tp30) cc_final: 0.8947 (tm-30) REVERT: o 250 MET cc_start: 0.7708 (mtm) cc_final: 0.7095 (mpp) REVERT: o 334 PHE cc_start: 0.8902 (m-80) cc_final: 0.8183 (m-80) REVERT: o 350 PHE cc_start: 0.7998 (p90) cc_final: 0.7592 (p90) REVERT: o 351 LYS cc_start: 0.9260 (mttm) cc_final: 0.8387 (mttm) REVERT: o 354 LEU cc_start: 0.9292 (tp) cc_final: 0.9018 (tp) REVERT: o 372 GLU cc_start: 0.9120 (pm20) cc_final: 0.8803 (pt0) REVERT: o 400 LEU cc_start: 0.8758 (mt) cc_final: 0.8036 (mt) REVERT: o 404 PHE cc_start: 0.7788 (m-80) cc_final: 0.7067 (m-80) REVERT: o 428 TYR cc_start: 0.9367 (m-80) cc_final: 0.9043 (m-10) REVERT: o 434 PHE cc_start: 0.9558 (p90) cc_final: 0.9324 (p90) REVERT: o 450 TYR cc_start: 0.8148 (t80) cc_final: 0.7932 (t80) REVERT: o 473 PHE cc_start: 0.8517 (p90) cc_final: 0.7653 (p90) REVERT: o 490 GLN cc_start: 0.8287 (mp-120) cc_final: 0.7979 (mm-40) REVERT: o 513 PHE cc_start: 0.9204 (m-80) cc_final: 0.8926 (m-80) REVERT: p 74 TYR cc_start: 0.7021 (m-80) cc_final: 0.6487 (m-10) REVERT: p 96 MET cc_start: 0.8576 (mtm) cc_final: 0.7853 (mtm) REVERT: p 106 LEU cc_start: 0.9149 (pp) cc_final: 0.8912 (pp) REVERT: p 118 ASN cc_start: 0.9241 (p0) cc_final: 0.9034 (p0) REVERT: p 121 THR cc_start: 0.9164 (p) cc_final: 0.8897 (p) REVERT: p 151 ASP cc_start: 0.7945 (t0) cc_final: 0.7584 (t0) REVERT: p 153 MET cc_start: 0.9458 (mtp) cc_final: 0.9101 (mtp) REVERT: p 176 ASP cc_start: 0.8600 (t0) cc_final: 0.8375 (t70) REVERT: p 189 TYR cc_start: 0.8666 (m-80) cc_final: 0.7876 (m-80) REVERT: p 190 LEU cc_start: 0.8440 (mm) cc_final: 0.8228 (mm) REVERT: p 199 ASP cc_start: 0.6080 (t0) cc_final: 0.5842 (t0) REVERT: p 249 GLU cc_start: 0.7313 (pm20) cc_final: 0.6675 (mp0) REVERT: p 276 GLN cc_start: 0.9039 (mt0) cc_final: 0.8760 (mt0) REVERT: p 278 LEU cc_start: 0.9540 (tp) cc_final: 0.9270 (tp) REVERT: p 284 MET cc_start: 0.7219 (mpp) cc_final: 0.6434 (mpp) REVERT: p 289 GLU cc_start: 0.9091 (mm-30) cc_final: 0.8841 (mp0) REVERT: p 290 LEU cc_start: 0.9678 (mt) cc_final: 0.9459 (mt) REVERT: p 310 ILE cc_start: 0.9389 (mt) cc_final: 0.9187 (mt) REVERT: p 318 LYS cc_start: 0.9214 (ttmt) cc_final: 0.8173 (tppt) REVERT: p 321 MET cc_start: 0.8689 (mmm) cc_final: 0.8377 (mtt) REVERT: p 323 LEU cc_start: 0.9321 (tp) cc_final: 0.9114 (tp) REVERT: p 332 PHE cc_start: 0.9134 (t80) cc_final: 0.8327 (t80) REVERT: p 333 ASP cc_start: 0.8573 (t0) cc_final: 0.8134 (t70) REVERT: p 354 LEU cc_start: 0.9554 (mt) cc_final: 0.9291 (mt) REVERT: p 358 ASP cc_start: 0.9492 (m-30) cc_final: 0.9168 (m-30) REVERT: p 360 GLU cc_start: 0.9487 (mm-30) cc_final: 0.9243 (mm-30) REVERT: p 363 GLU cc_start: 0.9324 (tp30) cc_final: 0.9024 (tp30) REVERT: p 391 THR cc_start: 0.9253 (p) cc_final: 0.8409 (t) REVERT: p 394 SER cc_start: 0.8112 (p) cc_final: 0.7909 (t) REVERT: p 412 VAL cc_start: 0.9466 (m) cc_final: 0.8602 (m) REVERT: p 438 TYR cc_start: 0.8823 (t80) cc_final: 0.8602 (t80) REVERT: p 468 GLN cc_start: 0.8838 (mm-40) cc_final: 0.8012 (mm-40) REVERT: p 483 PRO cc_start: 0.9330 (Cg_exo) cc_final: 0.8991 (Cg_endo) REVERT: p 512 TYR cc_start: 0.9345 (m-80) cc_final: 0.9039 (m-10) REVERT: q 106 LEU cc_start: 0.9492 (pp) cc_final: 0.9142 (pp) REVERT: q 115 GLN cc_start: 0.9143 (mm110) cc_final: 0.7200 (mt0) REVERT: q 123 GLN cc_start: 0.8934 (pt0) cc_final: 0.7765 (pt0) REVERT: q 145 HIS cc_start: 0.8548 (t-170) cc_final: 0.7532 (t-170) REVERT: q 147 MET cc_start: 0.8079 (mmp) cc_final: 0.7371 (mmp) REVERT: q 153 MET cc_start: 0.8417 (mtp) cc_final: 0.7480 (ttm) REVERT: q 170 THR cc_start: 0.9347 (m) cc_final: 0.9138 (p) REVERT: q 176 ASP cc_start: 0.8884 (t0) cc_final: 0.8348 (t70) REVERT: q 182 PHE cc_start: 0.8605 (m-80) cc_final: 0.8315 (m-80) REVERT: q 213 LYS cc_start: 0.8811 (mtmt) cc_final: 0.8588 (mttm) REVERT: q 215 GLN cc_start: 0.9343 (mp-120) cc_final: 0.8923 (mp10) REVERT: q 217 GLU cc_start: 0.9289 (pp20) cc_final: 0.8900 (pp20) REVERT: q 248 ASN cc_start: 0.9437 (m-40) cc_final: 0.9091 (m-40) REVERT: q 256 LYS cc_start: 0.8257 (ptmt) cc_final: 0.7917 (ptmt) REVERT: q 312 TYR cc_start: 0.9204 (t80) cc_final: 0.8963 (t80) REVERT: q 324 THR cc_start: 0.9356 (m) cc_final: 0.8876 (p) REVERT: q 334 PHE cc_start: 0.8269 (m-80) cc_final: 0.7799 (m-80) REVERT: q 350 PHE cc_start: 0.9584 (m-10) cc_final: 0.9290 (m-10) REVERT: q 363 GLU cc_start: 0.9324 (tp30) cc_final: 0.8532 (tp30) REVERT: q 370 ARG cc_start: 0.9257 (mmp-170) cc_final: 0.9042 (mmm-85) REVERT: q 421 TYR cc_start: 0.9475 (m-80) cc_final: 0.9249 (m-80) REVERT: q 426 ASP cc_start: 0.8252 (t0) cc_final: 0.8015 (t0) REVERT: q 430 LYS cc_start: 0.9340 (mmtm) cc_final: 0.9137 (mmmt) REVERT: q 432 ASP cc_start: 0.6940 (t0) cc_final: 0.6663 (t0) REVERT: q 442 ASN cc_start: 0.8805 (t0) cc_final: 0.8561 (t0) REVERT: q 443 GLU cc_start: 0.8733 (tp30) cc_final: 0.8250 (tp30) REVERT: q 507 LEU cc_start: 0.8623 (tp) cc_final: 0.8378 (tp) REVERT: q 514 ARG cc_start: 0.9020 (mtp85) cc_final: 0.8694 (tpp80) REVERT: q 515 ARG cc_start: 0.8614 (ptt180) cc_final: 0.8068 (ptm160) REVERT: q 518 VAL cc_start: 0.9410 (t) cc_final: 0.8553 (t) REVERT: r 99 VAL cc_start: 0.9342 (t) cc_final: 0.8940 (t) REVERT: r 105 ASN cc_start: 0.8275 (m-40) cc_final: 0.7981 (m110) REVERT: r 107 ILE cc_start: 0.7870 (pt) cc_final: 0.7641 (pt) REVERT: r 134 ASP cc_start: 0.8718 (t0) cc_final: 0.8336 (t0) REVERT: r 145 HIS cc_start: 0.9277 (t-90) cc_final: 0.8523 (t-90) REVERT: r 151 ASP cc_start: 0.8962 (t0) cc_final: 0.8118 (t0) REVERT: r 154 PHE cc_start: 0.8649 (t80) cc_final: 0.8417 (t80) REVERT: r 162 LYS cc_start: 0.9388 (mmtt) cc_final: 0.8992 (mmmm) REVERT: r 176 ASP cc_start: 0.9088 (m-30) cc_final: 0.8699 (m-30) REVERT: r 185 THR cc_start: 0.8868 (p) cc_final: 0.7360 (p) REVERT: r 189 TYR cc_start: 0.8422 (m-80) cc_final: 0.7914 (m-80) REVERT: r 213 LYS cc_start: 0.8648 (mtpt) cc_final: 0.8318 (mtpt) REVERT: r 214 LYS cc_start: 0.9493 (mttt) cc_final: 0.9273 (mtpp) REVERT: r 216 MET cc_start: 0.8736 (mtp) cc_final: 0.8242 (mtp) REVERT: r 236 GLN cc_start: 0.8569 (pt0) cc_final: 0.8283 (pt0) REVERT: r 255 ASP cc_start: 0.7728 (m-30) cc_final: 0.7500 (m-30) REVERT: r 293 ILE cc_start: 0.9483 (mt) cc_final: 0.9186 (mt) REVERT: r 297 GLU cc_start: 0.9096 (mm-30) cc_final: 0.8348 (mm-30) REVERT: r 309 TRP cc_start: 0.9035 (m100) cc_final: 0.7896 (m100) REVERT: r 336 ASP cc_start: 0.9011 (t0) cc_final: 0.8793 (t70) REVERT: r 339 ASP cc_start: 0.9335 (m-30) cc_final: 0.9001 (t0) REVERT: r 345 TRP cc_start: 0.7930 (p-90) cc_final: 0.7321 (p-90) REVERT: r 350 PHE cc_start: 0.9400 (m-10) cc_final: 0.9100 (m-80) REVERT: r 356 GLN cc_start: 0.9551 (tp40) cc_final: 0.8939 (tp-100) REVERT: r 367 GLN cc_start: 0.8973 (mm-40) cc_final: 0.8539 (mm110) REVERT: r 372 GLU cc_start: 0.9025 (pm20) cc_final: 0.8637 (pm20) REVERT: r 404 PHE cc_start: 0.8540 (m-80) cc_final: 0.7164 (m-80) REVERT: r 413 PHE cc_start: 0.7957 (t80) cc_final: 0.7488 (t80) REVERT: r 424 TYR cc_start: 0.8441 (m-80) cc_final: 0.8062 (m-80) REVERT: r 442 ASN cc_start: 0.8875 (t0) cc_final: 0.8597 (t0) REVERT: r 466 ASN cc_start: 0.9095 (p0) cc_final: 0.8759 (p0) REVERT: r 482 ASN cc_start: 0.8441 (t0) cc_final: 0.7823 (t0) REVERT: r 484 PHE cc_start: 0.7500 (m-10) cc_final: 0.7142 (m-10) REVERT: r 497 GLN cc_start: 0.8190 (pt0) cc_final: 0.7857 (pt0) REVERT: s 90 GLN cc_start: 0.9058 (mm-40) cc_final: 0.8524 (mp10) REVERT: s 98 MET cc_start: 0.6811 (ptm) cc_final: 0.6433 (ppp) REVERT: s 106 LEU cc_start: 0.8989 (mp) cc_final: 0.7864 (mp) REVERT: s 134 ASP cc_start: 0.9079 (t0) cc_final: 0.8737 (t0) REVERT: s 147 MET cc_start: 0.9136 (ttt) cc_final: 0.8864 (tpt) REVERT: s 151 ASP cc_start: 0.8642 (t0) cc_final: 0.8348 (t0) REVERT: s 153 MET cc_start: 0.9666 (mmt) cc_final: 0.9228 (mmt) REVERT: s 176 ASP cc_start: 0.8342 (t0) cc_final: 0.7982 (t0) REVERT: s 204 ASP cc_start: 0.8945 (t0) cc_final: 0.8659 (t70) REVERT: s 207 LYS cc_start: 0.9433 (mptt) cc_final: 0.9177 (mmtm) REVERT: s 212 ILE cc_start: 0.9680 (mt) cc_final: 0.9406 (mt) REVERT: s 221 LEU cc_start: 0.9719 (mt) cc_final: 0.9514 (mt) REVERT: s 235 LEU cc_start: 0.8336 (tp) cc_final: 0.8007 (pp) REVERT: s 254 ILE cc_start: 0.8515 (tt) cc_final: 0.8294 (tt) REVERT: s 297 GLU cc_start: 0.9611 (tp30) cc_final: 0.9152 (tp30) REVERT: s 299 MET cc_start: 0.8936 (mtm) cc_final: 0.8572 (ptp) REVERT: s 303 ASN cc_start: 0.8795 (m110) cc_final: 0.8458 (p0) REVERT: s 304 ARG cc_start: 0.9172 (tpt-90) cc_final: 0.8790 (mmm160) REVERT: s 309 TRP cc_start: 0.8810 (m100) cc_final: 0.8384 (m100) REVERT: s 311 ASN cc_start: 0.9466 (m-40) cc_final: 0.8869 (t0) REVERT: s 333 ASP cc_start: 0.8504 (t0) cc_final: 0.8267 (t0) REVERT: s 336 ASP cc_start: 0.8162 (t0) cc_final: 0.7832 (t0) REVERT: s 381 ASN cc_start: 0.9057 (m-40) cc_final: 0.7913 (m-40) REVERT: s 390 ASP cc_start: 0.8446 (t0) cc_final: 0.8231 (t0) REVERT: s 404 PHE cc_start: 0.8492 (m-80) cc_final: 0.6815 (m-80) REVERT: s 426 ASP cc_start: 0.8867 (t0) cc_final: 0.8548 (t0) REVERT: s 445 ASP cc_start: 0.7928 (m-30) cc_final: 0.6415 (p0) REVERT: s 481 ILE cc_start: 0.9054 (mm) cc_final: 0.8421 (mt) REVERT: s 482 ASN cc_start: 0.8328 (t0) cc_final: 0.7325 (t0) REVERT: s 500 MET cc_start: 0.8778 (ttm) cc_final: 0.8423 (mmm) REVERT: s 505 ASN cc_start: 0.9114 (t0) cc_final: 0.8486 (t0) REVERT: t 124 VAL cc_start: 0.9045 (t) cc_final: 0.8726 (m) REVERT: t 131 TYR cc_start: 0.8058 (p90) cc_final: 0.7525 (p90) REVERT: t 147 MET cc_start: 0.8536 (mmt) cc_final: 0.7057 (mmt) REVERT: t 153 MET cc_start: 0.9314 (mtp) cc_final: 0.9087 (mtm) REVERT: t 176 ASP cc_start: 0.8643 (m-30) cc_final: 0.8275 (m-30) REVERT: t 189 TYR cc_start: 0.8021 (m-10) cc_final: 0.7791 (m-10) REVERT: t 198 ILE cc_start: 0.9577 (tt) cc_final: 0.9333 (tt) REVERT: t 199 ASP cc_start: 0.8936 (t0) cc_final: 0.8651 (t0) REVERT: t 228 MET cc_start: 0.8932 (ptt) cc_final: 0.8350 (ptt) REVERT: t 236 GLN cc_start: 0.8877 (mt0) cc_final: 0.8469 (mt0) REVERT: t 244 ASP cc_start: 0.9530 (m-30) cc_final: 0.9276 (m-30) REVERT: t 245 ASN cc_start: 0.8212 (p0) cc_final: 0.7852 (p0) REVERT: t 247 TRP cc_start: 0.8345 (m100) cc_final: 0.7815 (m100) REVERT: t 255 ASP cc_start: 0.7466 (m-30) cc_final: 0.7222 (m-30) REVERT: t 260 GLU cc_start: 0.8356 (tt0) cc_final: 0.7166 (tt0) REVERT: t 272 ILE cc_start: 0.8636 (mt) cc_final: 0.8416 (mp) REVERT: t 308 ASP cc_start: 0.8614 (m-30) cc_final: 0.7201 (t0) REVERT: t 309 TRP cc_start: 0.8764 (m100) cc_final: 0.7950 (m100) REVERT: t 324 THR cc_start: 0.8781 (m) cc_final: 0.8172 (p) REVERT: t 327 SER cc_start: 0.6748 (p) cc_final: 0.5918 (p) REVERT: t 333 ASP cc_start: 0.8798 (t0) cc_final: 0.8585 (t0) REVERT: t 350 PHE cc_start: 0.9644 (m-10) cc_final: 0.8730 (m-10) REVERT: t 356 GLN cc_start: 0.9402 (tp40) cc_final: 0.8940 (tp-100) REVERT: t 359 LYS cc_start: 0.9694 (tttp) cc_final: 0.9286 (mtmt) REVERT: t 360 GLU cc_start: 0.9499 (mt-10) cc_final: 0.9222 (mt-10) REVERT: t 363 GLU cc_start: 0.9147 (tp30) cc_final: 0.8855 (tm-30) REVERT: t 364 ILE cc_start: 0.9753 (mt) cc_final: 0.9428 (mt) REVERT: t 375 PHE cc_start: 0.9534 (p90) cc_final: 0.9162 (p90) REVERT: t 381 ASN cc_start: 0.8902 (m-40) cc_final: 0.8555 (p0) REVERT: t 382 VAL cc_start: 0.9663 (t) cc_final: 0.9429 (t) REVERT: t 385 VAL cc_start: 0.9557 (t) cc_final: 0.9174 (p) REVERT: t 400 LEU cc_start: 0.9204 (mt) cc_final: 0.8916 (mt) REVERT: t 413 PHE cc_start: 0.8761 (t80) cc_final: 0.8326 (t80) REVERT: t 420 LYS cc_start: 0.8888 (mmpt) cc_final: 0.8628 (mmmt) REVERT: t 432 ASP cc_start: 0.5404 (t0) cc_final: 0.2196 (t0) REVERT: t 439 LYS cc_start: 0.8521 (ttmt) cc_final: 0.8170 (ttpt) REVERT: t 453 TYR cc_start: 0.6683 (t80) cc_final: 0.6483 (t80) REVERT: t 481 ILE cc_start: 0.8986 (mt) cc_final: 0.8425 (mp) REVERT: t 510 ASN cc_start: 0.9361 (t0) cc_final: 0.8591 (p0) REVERT: u 71 ASP cc_start: 0.7269 (t0) cc_final: 0.6999 (t0) REVERT: u 75 ASN cc_start: 0.8664 (t0) cc_final: 0.8157 (t0) REVERT: u 105 ASN cc_start: 0.8543 (m-40) cc_final: 0.7773 (t0) REVERT: u 148 TYR cc_start: 0.8686 (m-80) cc_final: 0.8101 (m-80) REVERT: u 199 ASP cc_start: 0.5174 (t0) cc_final: 0.4802 (t0) REVERT: u 240 ASN cc_start: 0.7815 (m110) cc_final: 0.7326 (m110) REVERT: u 256 LYS cc_start: 0.5861 (pttt) cc_final: 0.5600 (pttt) REVERT: u 309 TRP cc_start: 0.9036 (m100) cc_final: 0.7826 (m100) REVERT: u 311 ASN cc_start: 0.9322 (m-40) cc_final: 0.8608 (m-40) REVERT: u 318 LYS cc_start: 0.9078 (mmmt) cc_final: 0.8862 (mmmt) REVERT: u 356 GLN cc_start: 0.9342 (tp40) cc_final: 0.8995 (tp-100) REVERT: u 404 PHE cc_start: 0.6936 (m-80) cc_final: 0.6520 (m-80) REVERT: u 430 LYS cc_start: 0.9504 (mppt) cc_final: 0.9008 (mmtm) REVERT: u 433 TYR cc_start: 0.8003 (p90) cc_final: 0.7161 (p90) REVERT: u 445 ASP cc_start: 0.8158 (t0) cc_final: 0.7906 (t0) REVERT: u 481 ILE cc_start: 0.9142 (pt) cc_final: 0.8762 (pt) REVERT: u 482 ASN cc_start: 0.9098 (t0) cc_final: 0.8513 (t0) REVERT: u 497 GLN cc_start: 0.8691 (mt0) cc_final: 0.8224 (tp40) REVERT: u 510 ASN cc_start: 0.9310 (t0) cc_final: 0.8481 (p0) REVERT: u 515 ARG cc_start: 0.7858 (ttt180) cc_final: 0.6450 (ttt180) REVERT: v 90 GLN cc_start: 0.9146 (mm-40) cc_final: 0.8568 (mp10) REVERT: v 105 ASN cc_start: 0.7848 (m-40) cc_final: 0.7494 (m110) REVERT: v 110 ASP cc_start: 0.7755 (m-30) cc_final: 0.7388 (m-30) REVERT: v 144 PHE cc_start: 0.6743 (m-80) cc_final: 0.6485 (m-80) REVERT: v 145 HIS cc_start: 0.7910 (t-90) cc_final: 0.7029 (t-90) REVERT: v 157 GLN cc_start: 0.9403 (tp-100) cc_final: 0.8946 (tp-100) REVERT: v 166 LEU cc_start: 0.9238 (tp) cc_final: 0.9030 (tp) REVERT: v 176 ASP cc_start: 0.8249 (t0) cc_final: 0.8040 (t0) REVERT: v 178 TYR cc_start: 0.8709 (m-80) cc_final: 0.8494 (m-80) REVERT: v 180 HIS cc_start: 0.8427 (t-90) cc_final: 0.7173 (t-90) REVERT: v 255 ASP cc_start: 0.8796 (m-30) cc_final: 0.8524 (m-30) REVERT: v 265 GLN cc_start: 0.8641 (tt0) cc_final: 0.8024 (tm-30) REVERT: v 273 GLU cc_start: 0.9641 (mp0) cc_final: 0.9216 (mp0) REVERT: v 274 LEU cc_start: 0.9136 (tp) cc_final: 0.8855 (tp) REVERT: v 287 ASP cc_start: 0.9472 (p0) cc_final: 0.8682 (p0) REVERT: v 298 ILE cc_start: 0.9621 (mt) cc_final: 0.9367 (mt) REVERT: v 301 GLU cc_start: 0.8104 (mt-10) cc_final: 0.7605 (mt-10) REVERT: v 311 ASN cc_start: 0.9506 (m-40) cc_final: 0.9223 (p0) REVERT: v 333 ASP cc_start: 0.7878 (t0) cc_final: 0.7529 (t0) REVERT: v 345 TRP cc_start: 0.6819 (m100) cc_final: 0.5489 (m100) REVERT: v 359 LYS cc_start: 0.9633 (mtmt) cc_final: 0.9342 (mtmm) REVERT: v 377 ILE cc_start: 0.8993 (mm) cc_final: 0.8763 (tp) REVERT: v 379 SER cc_start: 0.8724 (t) cc_final: 0.8417 (p) REVERT: v 404 PHE cc_start: 0.8851 (m-80) cc_final: 0.8261 (m-80) REVERT: v 426 ASP cc_start: 0.8092 (t0) cc_final: 0.7500 (t0) REVERT: v 432 ASP cc_start: 0.8405 (t0) cc_final: 0.8112 (t0) REVERT: v 471 MET cc_start: 0.7985 (ttt) cc_final: 0.7654 (ttt) REVERT: v 497 GLN cc_start: 0.8551 (mt0) cc_final: 0.7949 (mm-40) REVERT: v 510 ASN cc_start: 0.8788 (t0) cc_final: 0.8055 (p0) REVERT: v 513 PHE cc_start: 0.9321 (m-80) cc_final: 0.8731 (m-80) REVERT: w 115 GLN cc_start: 0.8929 (mt0) cc_final: 0.8249 (mt0) REVERT: w 128 ARG cc_start: 0.8934 (mtt-85) cc_final: 0.8550 (mtp180) REVERT: w 171 GLN cc_start: 0.8816 (tt0) cc_final: 0.8526 (tm-30) REVERT: w 176 ASP cc_start: 0.9047 (t0) cc_final: 0.8693 (m-30) REVERT: w 178 TYR cc_start: 0.8907 (m-80) cc_final: 0.7740 (m-80) REVERT: w 190 LEU cc_start: 0.9198 (mt) cc_final: 0.8918 (mt) REVERT: w 294 LEU cc_start: 0.9273 (tp) cc_final: 0.8849 (tp) REVERT: w 309 TRP cc_start: 0.9084 (m100) cc_final: 0.8245 (m100) REVERT: w 321 MET cc_start: 0.8896 (mmm) cc_final: 0.8281 (mmp) REVERT: w 356 GLN cc_start: 0.9617 (tp40) cc_final: 0.9239 (tp-100) REVERT: w 363 GLU cc_start: 0.9076 (tp30) cc_final: 0.7750 (tp30) REVERT: w 367 GLN cc_start: 0.9228 (mt0) cc_final: 0.7973 (mt0) REVERT: w 376 ILE cc_start: 0.9213 (mt) cc_final: 0.8901 (tp) REVERT: w 377 ILE cc_start: 0.8500 (mp) cc_final: 0.8111 (tp) REVERT: w 398 GLN cc_start: 0.8742 (tt0) cc_final: 0.8510 (tt0) REVERT: w 420 LYS cc_start: 0.9267 (tttp) cc_final: 0.8914 (tptp) REVERT: w 443 GLU cc_start: 0.8011 (tt0) cc_final: 0.7519 (tp30) REVERT: w 460 ARG cc_start: 0.8936 (pmt-80) cc_final: 0.8634 (ttp80) REVERT: w 468 GLN cc_start: 0.9070 (mm-40) cc_final: 0.8434 (mm-40) REVERT: w 470 VAL cc_start: 0.9566 (t) cc_final: 0.9331 (m) REVERT: w 481 ILE cc_start: 0.9069 (pt) cc_final: 0.8817 (pt) REVERT: w 482 ASN cc_start: 0.8508 (t0) cc_final: 0.7488 (t0) REVERT: w 497 GLN cc_start: 0.9352 (mm-40) cc_final: 0.8826 (mm-40) REVERT: w 514 ARG cc_start: 0.8385 (mtp85) cc_final: 0.7694 (tpp80) REVERT: w 517 TYR cc_start: 0.9570 (m-80) cc_final: 0.9307 (m-10) REVERT: x 88 VAL cc_start: 0.9752 (m) cc_final: 0.9503 (m) REVERT: x 90 GLN cc_start: 0.9284 (mm-40) cc_final: 0.8534 (mm110) REVERT: x 110 ASP cc_start: 0.7820 (m-30) cc_final: 0.6947 (p0) REVERT: x 131 TYR cc_start: 0.7558 (p90) cc_final: 0.7170 (p90) REVERT: x 145 HIS cc_start: 0.8637 (t-90) cc_final: 0.8297 (t-90) REVERT: x 147 MET cc_start: 0.8467 (mmm) cc_final: 0.8013 (mmm) REVERT: x 148 TYR cc_start: 0.8318 (m-80) cc_final: 0.8052 (m-80) REVERT: x 151 ASP cc_start: 0.7949 (t0) cc_final: 0.6665 (t0) REVERT: x 154 PHE cc_start: 0.9465 (t80) cc_final: 0.9004 (t80) REVERT: x 162 LYS cc_start: 0.9154 (mmmm) cc_final: 0.8934 (mmmm) REVERT: x 178 TYR cc_start: 0.9277 (m-80) cc_final: 0.8873 (m-80) REVERT: x 182 PHE cc_start: 0.9095 (m-80) cc_final: 0.8854 (m-10) REVERT: x 189 TYR cc_start: 0.8415 (m-10) cc_final: 0.6999 (m-10) REVERT: x 199 ASP cc_start: 0.6904 (t0) cc_final: 0.6392 (t0) REVERT: x 204 ASP cc_start: 0.9510 (t0) cc_final: 0.9232 (t70) REVERT: x 207 LYS cc_start: 0.8551 (mttt) cc_final: 0.8209 (mmmt) REVERT: x 212 ILE cc_start: 0.9725 (mt) cc_final: 0.9358 (mt) REVERT: x 213 LYS cc_start: 0.9403 (mttt) cc_final: 0.8951 (mttt) REVERT: x 223 GLU cc_start: 0.8547 (tp30) cc_final: 0.7544 (tp30) REVERT: x 228 MET cc_start: 0.8852 (mtp) cc_final: 0.8621 (mtp) REVERT: x 245 ASN cc_start: 0.7195 (p0) cc_final: 0.6861 (p0) REVERT: x 247 TRP cc_start: 0.8779 (m100) cc_final: 0.8302 (m100) REVERT: x 248 ASN cc_start: 0.9346 (m-40) cc_final: 0.8394 (m-40) REVERT: x 249 GLU cc_start: 0.8844 (mt-10) cc_final: 0.8321 (mt-10) REVERT: x 276 GLN cc_start: 0.9124 (mt0) cc_final: 0.8842 (mp10) REVERT: x 278 LEU cc_start: 0.9413 (tp) cc_final: 0.9172 (tp) REVERT: x 304 ARG cc_start: 0.9024 (mmm160) cc_final: 0.8386 (mmm160) REVERT: x 311 ASN cc_start: 0.9612 (m-40) cc_final: 0.9273 (m-40) REVERT: x 321 MET cc_start: 0.9319 (OUTLIER) cc_final: 0.8846 (ptp) REVERT: x 350 PHE cc_start: 0.9521 (m-10) cc_final: 0.9089 (m-80) REVERT: x 360 GLU cc_start: 0.9667 (mm-30) cc_final: 0.9235 (mm-30) REVERT: x 366 ARG cc_start: 0.9384 (ttt-90) cc_final: 0.9141 (ttp80) REVERT: x 404 PHE cc_start: 0.7624 (m-80) cc_final: 0.7423 (m-80) REVERT: x 410 LYS cc_start: 0.9324 (mmmm) cc_final: 0.9012 (mmmm) REVERT: x 428 TYR cc_start: 0.9015 (m-80) cc_final: 0.8739 (m-80) REVERT: x 432 ASP cc_start: 0.5900 (t0) cc_final: 0.4040 (t0) REVERT: x 468 GLN cc_start: 0.8095 (mm-40) cc_final: 0.7851 (mm-40) REVERT: x 476 ARG cc_start: 0.6926 (ttm170) cc_final: 0.6261 (ttm170) REVERT: x 479 ILE cc_start: 0.8787 (tp) cc_final: 0.8550 (tp) REVERT: x 481 ILE cc_start: 0.9217 (pt) cc_final: 0.8942 (pt) REVERT: x 509 LYS cc_start: 0.8365 (mttm) cc_final: 0.8137 (mtmt) REVERT: x 517 TYR cc_start: 0.8956 (m-80) cc_final: 0.8701 (m-10) REVERT: y 78 ASN cc_start: 0.9324 (m-40) cc_final: 0.9113 (m-40) REVERT: y 96 MET cc_start: 0.8370 (mtm) cc_final: 0.7370 (mtm) REVERT: y 105 ASN cc_start: 0.8058 (t0) cc_final: 0.7557 (t0) REVERT: y 109 PHE cc_start: 0.7931 (m-80) cc_final: 0.7667 (m-80) REVERT: y 115 GLN cc_start: 0.8733 (mm-40) cc_final: 0.8416 (mm-40) REVERT: y 123 GLN cc_start: 0.9205 (pt0) cc_final: 0.8690 (pt0) REVERT: y 134 ASP cc_start: 0.8870 (t0) cc_final: 0.8497 (t0) REVERT: y 151 ASP cc_start: 0.7839 (p0) cc_final: 0.7604 (p0) REVERT: y 180 HIS cc_start: 0.8346 (t70) cc_final: 0.8081 (t70) REVERT: y 199 ASP cc_start: 0.8206 (t0) cc_final: 0.7939 (t0) REVERT: y 217 GLU cc_start: 0.9673 (tt0) cc_final: 0.8853 (tp30) REVERT: y 250 MET cc_start: 0.7685 (ttm) cc_final: 0.7085 (ttm) REVERT: y 252 PHE cc_start: 0.8960 (p90) cc_final: 0.8711 (p90) REVERT: y 260 GLU cc_start: 0.8179 (tm-30) cc_final: 0.7868 (tm-30) REVERT: y 264 ARG cc_start: 0.8114 (ptp-110) cc_final: 0.6733 (ptp-110) REVERT: y 297 GLU cc_start: 0.9050 (tp30) cc_final: 0.8189 (tp30) REVERT: y 311 ASN cc_start: 0.9526 (m-40) cc_final: 0.8922 (t0) REVERT: y 313 SER cc_start: 0.9499 (p) cc_final: 0.8978 (t) REVERT: y 334 PHE cc_start: 0.8696 (m-80) cc_final: 0.8484 (m-80) REVERT: y 354 LEU cc_start: 0.9669 (mt) cc_final: 0.9411 (tt) REVERT: y 363 GLU cc_start: 0.8927 (tp30) cc_final: 0.8038 (tp30) REVERT: y 375 PHE cc_start: 0.9211 (p90) cc_final: 0.8756 (p90) REVERT: y 391 THR cc_start: 0.8952 (p) cc_final: 0.8687 (p) REVERT: y 404 PHE cc_start: 0.7980 (m-80) cc_final: 0.7343 (m-80) REVERT: y 406 THR cc_start: 0.9242 (p) cc_final: 0.8746 (t) REVERT: y 412 VAL cc_start: 0.8983 (m) cc_final: 0.7911 (m) REVERT: y 424 TYR cc_start: 0.8304 (m-80) cc_final: 0.7656 (m-10) REVERT: y 438 TYR cc_start: 0.9272 (t80) cc_final: 0.8995 (t80) REVERT: y 459 LEU cc_start: 0.9107 (mp) cc_final: 0.8907 (mp) REVERT: y 484 PHE cc_start: 0.8072 (m-80) cc_final: 0.7559 (m-80) REVERT: y 497 GLN cc_start: 0.8978 (tp40) cc_final: 0.8636 (tp40) REVERT: y 505 ASN cc_start: 0.8407 (m-40) cc_final: 0.8145 (m-40) REVERT: y 509 LYS cc_start: 0.9236 (mttp) cc_final: 0.8852 (mttt) REVERT: y 512 TYR cc_start: 0.8735 (m-80) cc_final: 0.8490 (m-80) REVERT: y 514 ARG cc_start: 0.8655 (mtp85) cc_final: 0.7690 (tpp80) REVERT: z 105 ASN cc_start: 0.7467 (m-40) cc_final: 0.6943 (m-40) REVERT: z 144 PHE cc_start: 0.9079 (m-80) cc_final: 0.8638 (m-80) REVERT: z 176 ASP cc_start: 0.8666 (m-30) cc_final: 0.8243 (m-30) REVERT: z 199 ASP cc_start: 0.8301 (t0) cc_final: 0.7983 (t0) REVERT: z 216 MET cc_start: 0.8904 (tmm) cc_final: 0.8319 (tmm) REVERT: z 224 ILE cc_start: 0.8821 (tt) cc_final: 0.8081 (tt) REVERT: z 244 ASP cc_start: 0.9388 (m-30) cc_final: 0.9146 (p0) REVERT: z 247 TRP cc_start: 0.7579 (m-10) cc_final: 0.6746 (m100) REVERT: z 250 MET cc_start: 0.8712 (mtp) cc_final: 0.8343 (mtp) REVERT: z 259 ILE cc_start: 0.8042 (pt) cc_final: 0.7544 (mp) REVERT: z 277 ASP cc_start: 0.9323 (m-30) cc_final: 0.9103 (m-30) REVERT: z 301 GLU cc_start: 0.9027 (mt-10) cc_final: 0.8636 (mt-10) REVERT: z 302 ILE cc_start: 0.9395 (mt) cc_final: 0.9147 (mm) REVERT: z 332 PHE cc_start: 0.8454 (t80) cc_final: 0.8202 (t80) REVERT: z 336 ASP cc_start: 0.6807 (t0) cc_final: 0.6437 (m-30) REVERT: z 350 PHE cc_start: 0.9492 (m-10) cc_final: 0.9066 (m-10) REVERT: z 356 GLN cc_start: 0.9768 (tp40) cc_final: 0.9480 (tp-100) REVERT: z 375 PHE cc_start: 0.8486 (p90) cc_final: 0.8276 (p90) REVERT: z 390 ASP cc_start: 0.8555 (t0) cc_final: 0.8327 (t70) REVERT: z 432 ASP cc_start: 0.7741 (p0) cc_final: 0.7300 (p0) REVERT: z 439 LYS cc_start: 0.8990 (tmmt) cc_final: 0.8731 (tttt) REVERT: z 450 TYR cc_start: 0.7840 (t80) cc_final: 0.7515 (t80) REVERT: z 484 PHE cc_start: 0.8324 (m-80) cc_final: 0.7756 (m-10) REVERT: z 518 VAL cc_start: 0.8958 (p) cc_final: 0.8675 (p) REVERT: A 72 HIS cc_start: 0.7690 (m90) cc_final: 0.7123 (m90) REVERT: A 134 ASP cc_start: 0.8608 (t70) cc_final: 0.8170 (t0) REVERT: A 142 GLU cc_start: 0.6651 (pm20) cc_final: 0.6325 (pm20) REVERT: A 147 MET cc_start: 0.9222 (mtm) cc_final: 0.8772 (mtm) REVERT: A 176 ASP cc_start: 0.9381 (m-30) cc_final: 0.9125 (m-30) REVERT: A 182 PHE cc_start: 0.9036 (m-80) cc_final: 0.8690 (m-80) REVERT: A 199 ASP cc_start: 0.8528 (t0) cc_final: 0.8119 (t0) REVERT: A 226 GLU cc_start: 0.8078 (tt0) cc_final: 0.7591 (tt0) REVERT: A 250 MET cc_start: 0.7043 (mtp) cc_final: 0.6065 (mtp) REVERT: A 299 MET cc_start: 0.9502 (mmp) cc_final: 0.9158 (mmm) REVERT: A 304 ARG cc_start: 0.8964 (mmm160) cc_final: 0.8533 (mmm160) REVERT: A 309 TRP cc_start: 0.8801 (m100) cc_final: 0.7726 (m100) REVERT: A 315 GLN cc_start: 0.6926 (mt0) cc_final: 0.6322 (mt0) REVERT: A 348 GLU cc_start: 0.9282 (mt-10) cc_final: 0.8755 (mm-30) REVERT: A 356 GLN cc_start: 0.9479 (mm-40) cc_final: 0.9258 (mm-40) REVERT: A 359 LYS cc_start: 0.9299 (ttpt) cc_final: 0.9039 (ttpt) REVERT: A 363 GLU cc_start: 0.9302 (tp30) cc_final: 0.8721 (tp30) REVERT: A 428 TYR cc_start: 0.9006 (m-80) cc_final: 0.8743 (m-10) REVERT: A 430 LYS cc_start: 0.8675 (tmtt) cc_final: 0.8016 (tmtt) REVERT: A 432 ASP cc_start: 0.7990 (t0) cc_final: 0.5091 (t0) REVERT: A 433 TYR cc_start: 0.8214 (p90) cc_final: 0.7757 (p90) REVERT: A 435 THR cc_start: 0.9478 (p) cc_final: 0.9210 (p) REVERT: A 459 LEU cc_start: 0.6733 (mm) cc_final: 0.6513 (mm) REVERT: A 507 LEU cc_start: 0.8384 (tt) cc_final: 0.7912 (tp) REVERT: B 98 MET cc_start: 0.8724 (ttm) cc_final: 0.8308 (ttt) REVERT: B 107 ILE cc_start: 0.8874 (pt) cc_final: 0.8602 (pt) REVERT: B 144 PHE cc_start: 0.8727 (m-80) cc_final: 0.8376 (m-80) REVERT: B 145 HIS cc_start: 0.7075 (t-90) cc_final: 0.6335 (t-90) REVERT: B 147 MET cc_start: 0.8906 (mmm) cc_final: 0.8589 (mmm) REVERT: B 148 TYR cc_start: 0.8825 (m-80) cc_final: 0.7807 (m-80) REVERT: B 178 TYR cc_start: 0.8719 (m-80) cc_final: 0.7320 (m-80) REVERT: B 224 ILE cc_start: 0.9432 (OUTLIER) cc_final: 0.9114 (mm) REVERT: B 226 GLU cc_start: 0.8750 (tp30) cc_final: 0.8384 (tm-30) REVERT: B 273 GLU cc_start: 0.9278 (mp0) cc_final: 0.8891 (mm-30) REVERT: B 277 ASP cc_start: 0.8933 (m-30) cc_final: 0.8704 (m-30) REVERT: B 293 ILE cc_start: 0.9717 (mt) cc_final: 0.9435 (mt) REVERT: B 297 GLU cc_start: 0.9552 (mm-30) cc_final: 0.9217 (mm-30) REVERT: B 303 ASN cc_start: 0.8852 (t0) cc_final: 0.8577 (t0) REVERT: B 304 ARG cc_start: 0.8752 (mmm160) cc_final: 0.8330 (mmm160) REVERT: B 318 LYS cc_start: 0.9140 (tppt) cc_final: 0.8777 (tppt) REVERT: B 336 ASP cc_start: 0.8427 (t0) cc_final: 0.8092 (t70) REVERT: B 363 GLU cc_start: 0.9292 (tp30) cc_final: 0.8784 (tp30) REVERT: B 377 ILE cc_start: 0.9125 (mt) cc_final: 0.8905 (tp) REVERT: B 384 ASN cc_start: 0.9228 (t0) cc_final: 0.8938 (t0) REVERT: B 390 ASP cc_start: 0.8390 (t0) cc_final: 0.8153 (t0) REVERT: B 426 ASP cc_start: 0.9361 (t0) cc_final: 0.8657 (t0) REVERT: B 442 ASN cc_start: 0.8963 (t0) cc_final: 0.8718 (t0) REVERT: B 466 ASN cc_start: 0.9061 (p0) cc_final: 0.8582 (p0) REVERT: B 481 ILE cc_start: 0.8743 (pt) cc_final: 0.8088 (pt) REVERT: B 482 ASN cc_start: 0.8210 (t0) cc_final: 0.7781 (t0) REVERT: B 484 PHE cc_start: 0.8531 (m-80) cc_final: 0.8213 (m-10) REVERT: B 505 ASN cc_start: 0.9065 (m-40) cc_final: 0.8741 (m-40) REVERT: C 98 MET cc_start: 0.7813 (ppp) cc_final: 0.6571 (ttp) REVERT: C 107 ILE cc_start: 0.9151 (mt) cc_final: 0.8746 (mt) REVERT: C 123 GLN cc_start: 0.8961 (pt0) cc_final: 0.8260 (pt0) REVERT: C 157 GLN cc_start: 0.8923 (tm130) cc_final: 0.8704 (tm-30) REVERT: C 161 LYS cc_start: 0.8769 (pttt) cc_final: 0.8318 (ptmm) REVERT: C 199 ASP cc_start: 0.7855 (t0) cc_final: 0.7278 (t0) REVERT: C 213 LYS cc_start: 0.9372 (mtmt) cc_final: 0.9111 (mtmm) REVERT: C 223 GLU cc_start: 0.8696 (tt0) cc_final: 0.8081 (tt0) REVERT: C 234 GLU cc_start: 0.8663 (mm-30) cc_final: 0.7778 (mm-30) REVERT: C 266 LEU cc_start: 0.9439 (mt) cc_final: 0.8218 (mt) REVERT: C 273 GLU cc_start: 0.9317 (mp0) cc_final: 0.9049 (pm20) REVERT: C 285 ASP cc_start: 0.9163 (m-30) cc_final: 0.8865 (m-30) REVERT: C 287 ASP cc_start: 0.9282 (p0) cc_final: 0.8995 (t0) REVERT: C 300 LEU cc_start: 0.9365 (mt) cc_final: 0.9158 (mt) REVERT: C 312 TYR cc_start: 0.9186 (t80) cc_final: 0.8935 (t80) REVERT: C 315 GLN cc_start: 0.6870 (mt0) cc_final: 0.6283 (mt0) REVERT: C 336 ASP cc_start: 0.7266 (t0) cc_final: 0.6961 (t70) REVERT: C 350 PHE cc_start: 0.9472 (m-80) cc_final: 0.9048 (m-80) REVERT: C 381 ASN cc_start: 0.9243 (m-40) cc_final: 0.8691 (p0) REVERT: C 390 ASP cc_start: 0.9213 (t0) cc_final: 0.8841 (t70) REVERT: C 398 GLN cc_start: 0.9181 (tt0) cc_final: 0.8631 (mm110) REVERT: C 400 LEU cc_start: 0.9705 (mt) cc_final: 0.9060 (mt) REVERT: C 452 PRO cc_start: 0.8826 (Cg_endo) cc_final: 0.7987 (Cg_exo) REVERT: C 454 VAL cc_start: 0.8993 (t) cc_final: 0.8679 (t) REVERT: C 465 LYS cc_start: 0.9394 (mtpp) cc_final: 0.9073 (ptpt) REVERT: C 481 ILE cc_start: 0.9453 (pt) cc_final: 0.9173 (mm) REVERT: C 510 ASN cc_start: 0.9213 (t0) cc_final: 0.8672 (t0) REVERT: C 514 ARG cc_start: 0.8219 (mtp85) cc_final: 0.7680 (ttm-80) REVERT: C 517 TYR cc_start: 0.8922 (m-80) cc_final: 0.8487 (m-10) REVERT: D 74 TYR cc_start: 0.7935 (m-10) cc_final: 0.7618 (m-10) REVERT: D 105 ASN cc_start: 0.8310 (t0) cc_final: 0.7887 (t0) REVERT: D 109 PHE cc_start: 0.9069 (p90) cc_final: 0.8399 (p90) REVERT: D 119 SER cc_start: 0.9524 (t) cc_final: 0.9263 (p) REVERT: D 123 GLN cc_start: 0.8075 (pt0) cc_final: 0.7622 (pm20) REVERT: D 145 HIS cc_start: 0.9118 (t-90) cc_final: 0.8474 (t-90) REVERT: D 147 MET cc_start: 0.8877 (mmp) cc_final: 0.8162 (mmp) REVERT: D 148 TYR cc_start: 0.9417 (m-80) cc_final: 0.8741 (m-80) REVERT: D 151 ASP cc_start: 0.8906 (t0) cc_final: 0.8447 (t0) REVERT: D 166 LEU cc_start: 0.8955 (mt) cc_final: 0.8661 (mt) REVERT: D 171 GLN cc_start: 0.8690 (pm20) cc_final: 0.8472 (pm20) REVERT: D 182 PHE cc_start: 0.8958 (m-80) cc_final: 0.8660 (m-80) REVERT: D 199 ASP cc_start: 0.7524 (t0) cc_final: 0.6957 (t0) REVERT: D 212 ILE cc_start: 0.9703 (mt) cc_final: 0.9422 (mt) REVERT: D 213 LYS cc_start: 0.9440 (mttt) cc_final: 0.8796 (mttt) REVERT: D 216 MET cc_start: 0.9475 (mtm) cc_final: 0.8847 (mtt) REVERT: D 239 PHE cc_start: 0.8046 (t80) cc_final: 0.7479 (t80) REVERT: D 245 ASN cc_start: 0.5848 (p0) cc_final: 0.5545 (p0) REVERT: D 264 ARG cc_start: 0.6556 (mtt90) cc_final: 0.6018 (mtt90) REVERT: D 277 ASP cc_start: 0.9165 (m-30) cc_final: 0.8718 (p0) REVERT: D 278 LEU cc_start: 0.9529 (mt) cc_final: 0.9272 (mt) REVERT: D 297 GLU cc_start: 0.9350 (tp30) cc_final: 0.8582 (tp30) REVERT: D 309 TRP cc_start: 0.8976 (m100) cc_final: 0.8398 (m100) REVERT: D 321 MET cc_start: 0.7887 (mtm) cc_final: 0.7187 (ptp) REVERT: D 336 ASP cc_start: 0.8973 (t70) cc_final: 0.8525 (t0) REVERT: D 348 GLU cc_start: 0.8545 (mt-10) cc_final: 0.7635 (mt-10) REVERT: D 350 PHE cc_start: 0.9383 (m-10) cc_final: 0.9141 (m-80) REVERT: D 356 GLN cc_start: 0.9446 (tp40) cc_final: 0.9106 (tp40) REVERT: D 359 LYS cc_start: 0.9460 (tttt) cc_final: 0.9031 (tttt) REVERT: D 386 LEU cc_start: 0.9813 (mt) cc_final: 0.9519 (mt) REVERT: D 390 ASP cc_start: 0.8773 (t0) cc_final: 0.8267 (t0) REVERT: D 391 THR cc_start: 0.9000 (p) cc_final: 0.8157 (t) REVERT: D 404 PHE cc_start: 0.9254 (m-80) cc_final: 0.8598 (m-80) REVERT: D 448 ILE cc_start: 0.9726 (mt) cc_final: 0.9457 (mt) REVERT: D 465 LYS cc_start: 0.8752 (tppp) cc_final: 0.8148 (tppp) REVERT: D 481 ILE cc_start: 0.9195 (mm) cc_final: 0.8891 (mm) REVERT: D 495 ARG cc_start: 0.8976 (ptm160) cc_final: 0.8233 (ttp80) REVERT: D 505 ASN cc_start: 0.9211 (t0) cc_final: 0.8865 (t0) REVERT: D 513 PHE cc_start: 0.9076 (m-80) cc_final: 0.8569 (m-80) REVERT: D 514 ARG cc_start: 0.8091 (mmt90) cc_final: 0.7394 (mmm-85) REVERT: E 15 MET cc_start: 0.9165 (mtt) cc_final: 0.8878 (mtm) REVERT: E 35 LYS cc_start: 0.8413 (tttm) cc_final: 0.8081 (tptt) REVERT: E 61 ILE cc_start: 0.8980 (mt) cc_final: 0.8485 (mt) REVERT: E 76 ILE cc_start: 0.9493 (mt) cc_final: 0.9266 (mt) REVERT: E 79 TYR cc_start: 0.9149 (m-10) cc_final: 0.8617 (m-80) REVERT: E 81 ASN cc_start: 0.9563 (m110) cc_final: 0.9359 (p0) REVERT: E 103 GLU cc_start: 0.7464 (mm-30) cc_final: 0.6784 (tm-30) REVERT: E 112 ASN cc_start: 0.9450 (t0) cc_final: 0.8732 (p0) REVERT: E 137 LEU cc_start: 0.9047 (mt) cc_final: 0.8842 (mt) REVERT: E 146 HIS cc_start: 0.8238 (m-70) cc_final: 0.8014 (m-70) REVERT: E 204 GLU cc_start: 0.8263 (mt-10) cc_final: 0.7729 (mp0) REVERT: E 259 LYS cc_start: 0.9067 (ttpp) cc_final: 0.8748 (tmtt) REVERT: E 263 GLN cc_start: 0.9581 (pt0) cc_final: 0.9297 (pt0) REVERT: E 364 TRP cc_start: 0.8896 (t-100) cc_final: 0.8677 (t-100) REVERT: E 371 MET cc_start: 0.9024 (mmp) cc_final: 0.8489 (mmp) REVERT: E 419 LEU cc_start: 0.9630 (mt) cc_final: 0.9410 (mt) REVERT: E 445 LYS cc_start: 0.8991 (mttt) cc_final: 0.8466 (tptt) REVERT: E 451 ASP cc_start: 0.9171 (t0) cc_final: 0.8415 (p0) REVERT: E 476 PHE cc_start: 0.9309 (m-80) cc_final: 0.8257 (m-80) REVERT: E 499 GLU cc_start: 0.8912 (tt0) cc_final: 0.8147 (pp20) REVERT: E 503 LYS cc_start: 0.9092 (mttt) cc_final: 0.8569 (ttmt) REVERT: F 8 LEU cc_start: 0.9475 (pp) cc_final: 0.9254 (pp) REVERT: F 14 LYS cc_start: 0.9284 (mttt) cc_final: 0.9009 (mttt) REVERT: F 15 MET cc_start: 0.9594 (mtp) cc_final: 0.9304 (mtm) REVERT: F 17 GLU cc_start: 0.8998 (mt-10) cc_final: 0.8676 (mt-10) REVERT: F 69 MET cc_start: 0.6419 (ptp) cc_final: 0.6071 (ptp) REVERT: F 98 ASP cc_start: 0.9316 (m-30) cc_final: 0.8997 (m-30) REVERT: F 125 MET cc_start: 0.8409 (mtm) cc_final: 0.8102 (mtt) REVERT: F 127 LEU cc_start: 0.8923 (pp) cc_final: 0.8262 (mm) REVERT: F 146 HIS cc_start: 0.9042 (m-70) cc_final: 0.8554 (m-70) REVERT: F 181 GLN cc_start: 0.8057 (mt0) cc_final: 0.7566 (mt0) REVERT: F 239 HIS cc_start: 0.8435 (p90) cc_final: 0.8133 (p-80) REVERT: F 259 LYS cc_start: 0.7778 (tttp) cc_final: 0.7158 (tptt) REVERT: F 262 ASN cc_start: 0.9125 (m110) cc_final: 0.8905 (m110) REVERT: F 274 TYR cc_start: 0.7926 (t80) cc_final: 0.7347 (t80) REVERT: F 360 GLU cc_start: 0.7225 (mt-10) cc_final: 0.6964 (mp0) REVERT: F 363 ARG cc_start: 0.8785 (mtt90) cc_final: 0.8482 (tpp-160) REVERT: F 365 PHE cc_start: 0.9615 (m-80) cc_final: 0.9071 (m-80) REVERT: F 371 MET cc_start: 0.8624 (mtp) cc_final: 0.8336 (mtp) REVERT: F 409 GLU cc_start: 0.9633 (mt-10) cc_final: 0.9214 (mt-10) REVERT: F 420 ASP cc_start: 0.9194 (t70) cc_final: 0.8914 (t70) REVERT: F 443 ASN cc_start: 0.8128 (t0) cc_final: 0.7780 (t0) REVERT: F 447 GLU cc_start: 0.8995 (mt-10) cc_final: 0.8513 (mp0) REVERT: F 459 GLU cc_start: 0.8744 (mt-10) cc_final: 0.8496 (mt-10) REVERT: F 479 LYS cc_start: 0.6603 (mttt) cc_final: 0.5958 (tptt) REVERT: F 487 MET cc_start: 0.9059 (mtp) cc_final: 0.8858 (mtt) REVERT: F 504 GLN cc_start: 0.9490 (tp40) cc_final: 0.9225 (tp-100) REVERT: G 20 PHE cc_start: 0.8100 (m-10) cc_final: 0.7785 (m-80) REVERT: G 31 ILE cc_start: 0.7970 (mt) cc_final: 0.7534 (mt) REVERT: G 48 ASN cc_start: 0.8471 (t0) cc_final: 0.8271 (t0) REVERT: G 77 ASP cc_start: 0.9365 (m-30) cc_final: 0.9133 (m-30) REVERT: G 109 VAL cc_start: 0.7882 (p) cc_final: 0.7511 (p) REVERT: G 178 ASP cc_start: 0.8828 (t0) cc_final: 0.8478 (t0) REVERT: G 212 HIS cc_start: 0.8647 (p-80) cc_final: 0.8356 (p90) REVERT: G 221 MET cc_start: -0.0839 (tmm) cc_final: -0.1173 (ttt) REVERT: G 259 LYS cc_start: 0.8916 (tttt) cc_final: 0.8395 (tppt) REVERT: G 265 LYS cc_start: 0.9039 (mtpt) cc_final: 0.8698 (mmmt) REVERT: G 288 ASP cc_start: 0.4254 (OUTLIER) cc_final: 0.3424 (m-30) REVERT: G 292 MET cc_start: 0.3670 (tpp) cc_final: 0.3373 (tpp) REVERT: G 358 ASN cc_start: 0.8050 (m-40) cc_final: 0.7622 (m-40) REVERT: G 371 MET cc_start: 0.9150 (ptm) cc_final: 0.8149 (tmm) REVERT: G 374 ARG cc_start: 0.6526 (mtp-110) cc_final: 0.5738 (mtp-110) REVERT: G 399 ASP cc_start: 0.8205 (t70) cc_final: 0.7399 (t70) REVERT: G 400 GLU cc_start: 0.8918 (mm-30) cc_final: 0.8564 (mm-30) REVERT: G 409 GLU cc_start: 0.9130 (mt-10) cc_final: 0.8808 (mt-10) REVERT: G 413 LYS cc_start: 0.9409 (mttt) cc_final: 0.9175 (mtpt) REVERT: G 416 GLU cc_start: 0.8821 (tp30) cc_final: 0.8564 (tp30) REVERT: G 428 LEU cc_start: 0.8886 (mt) cc_final: 0.8638 (mt) REVERT: G 432 ILE cc_start: 0.8476 (pt) cc_final: 0.8266 (tt) REVERT: G 443 ASN cc_start: 0.9083 (m-40) cc_final: 0.8683 (p0) REVERT: G 445 LYS cc_start: 0.9095 (tptt) cc_final: 0.8638 (mptt) REVERT: G 465 ARG cc_start: 0.8971 (mmm-85) cc_final: 0.8736 (ttm170) REVERT: G 466 ARG cc_start: 0.8428 (mtt180) cc_final: 0.7799 (mtm-85) REVERT: G 500 GLN cc_start: 0.9331 (mm-40) cc_final: 0.9018 (tt0) REVERT: G 501 GLU cc_start: 0.8874 (mm-30) cc_final: 0.8520 (mm-30) REVERT: G 507 GLU cc_start: 0.9139 (mt-10) cc_final: 0.8869 (mt-10) REVERT: H 74 GLU cc_start: 0.9033 (mt-10) cc_final: 0.8746 (mt-10) REVERT: H 90 ASN cc_start: 0.9111 (m-40) cc_final: 0.8892 (m-40) REVERT: H 95 ILE cc_start: 0.9656 (mt) cc_final: 0.9449 (mt) REVERT: H 98 ASP cc_start: 0.9502 (m-30) cc_final: 0.9059 (p0) REVERT: H 146 HIS cc_start: 0.8631 (m-70) cc_final: 0.7919 (m-70) REVERT: H 147 PHE cc_start: 0.9478 (t80) cc_final: 0.9159 (t80) REVERT: H 173 GLU cc_start: 0.8036 (pm20) cc_final: 0.7445 (mp0) REVERT: H 292 MET cc_start: 0.6071 (mtt) cc_final: 0.5793 (mtt) REVERT: H 305 MET cc_start: -0.3421 (ptm) cc_final: -0.4351 (ttp) REVERT: H 308 MET cc_start: 0.3339 (mmt) cc_final: 0.1881 (mmt) REVERT: H 312 VAL cc_start: 0.7934 (m) cc_final: 0.7685 (m) REVERT: H 340 ASP cc_start: 0.7052 (t0) cc_final: 0.6613 (p0) REVERT: H 344 VAL cc_start: 0.5321 (t) cc_final: 0.4745 (t) REVERT: H 361 ASP cc_start: 0.9302 (p0) cc_final: 0.8989 (p0) REVERT: H 363 ARG cc_start: 0.9120 (mtp180) cc_final: 0.8552 (ttm110) REVERT: H 365 PHE cc_start: 0.9292 (m-80) cc_final: 0.8619 (m-80) REVERT: H 367 GLN cc_start: 0.8947 (tt0) cc_final: 0.8673 (tt0) REVERT: H 407 ILE cc_start: 0.9533 (mm) cc_final: 0.9308 (mm) REVERT: H 409 GLU cc_start: 0.9626 (mt-10) cc_final: 0.9401 (mt-10) REVERT: H 411 GLN cc_start: 0.8586 (tp40) cc_final: 0.8219 (mt0) REVERT: H 413 LYS cc_start: 0.9266 (mmtt) cc_final: 0.8855 (mmtt) REVERT: H 414 PHE cc_start: 0.9426 (t80) cc_final: 0.8823 (t80) REVERT: H 420 ASP cc_start: 0.9017 (t70) cc_final: 0.8732 (t70) REVERT: H 444 ILE cc_start: 0.9107 (mt) cc_final: 0.8874 (mt) REVERT: H 448 PHE cc_start: 0.6779 (p90) cc_final: 0.6339 (p90) REVERT: H 451 ASP cc_start: 0.9333 (t70) cc_final: 0.8552 (p0) REVERT: H 459 GLU cc_start: 0.9174 (mt-10) cc_final: 0.8925 (mt-10) REVERT: H 472 MET cc_start: 0.8801 (mtm) cc_final: 0.8291 (mtt) REVERT: H 476 PHE cc_start: 0.9295 (m-80) cc_final: 0.9019 (m-80) REVERT: H 508 GLU cc_start: 0.8059 (mt-10) cc_final: 0.7676 (mt-10) REVERT: I 15 MET cc_start: 0.9138 (mtm) cc_final: 0.8886 (mtm) REVERT: I 37 ASP cc_start: 0.8872 (p0) cc_final: 0.8656 (p0) REVERT: I 69 MET cc_start: 0.7126 (mmm) cc_final: 0.6561 (mtm) REVERT: I 126 MET cc_start: 0.8879 (mtm) cc_final: 0.8521 (mtm) REVERT: I 156 ILE cc_start: 0.8713 (tt) cc_final: 0.8359 (tt) REVERT: I 157 PHE cc_start: 0.8261 (m-80) cc_final: 0.7961 (m-80) REVERT: I 180 ARG cc_start: 0.8634 (mtm-85) cc_final: 0.8407 (mpp80) REVERT: I 182 VAL cc_start: 0.8833 (t) cc_final: 0.7936 (t) REVERT: I 188 ILE cc_start: 0.8523 (mt) cc_final: 0.8243 (mt) REVERT: I 203 LYS cc_start: 0.7986 (pttp) cc_final: 0.7636 (mmtt) REVERT: I 206 PHE cc_start: 0.8471 (m-80) cc_final: 0.8229 (m-10) REVERT: I 259 LYS cc_start: 0.8530 (tttt) cc_final: 0.8289 (tttt) REVERT: I 263 GLN cc_start: 0.9320 (pt0) cc_final: 0.9095 (pt0) REVERT: I 267 LEU cc_start: 0.8678 (mt) cc_final: 0.8285 (mt) REVERT: I 364 TRP cc_start: 0.8985 (t60) cc_final: 0.7634 (t60) REVERT: I 367 GLN cc_start: 0.8976 (tm-30) cc_final: 0.8644 (tm-30) REVERT: I 371 MET cc_start: 0.8438 (mtp) cc_final: 0.8097 (mtm) REVERT: I 401 LEU cc_start: 0.9498 (mt) cc_final: 0.9197 (mt) REVERT: I 414 PHE cc_start: 0.9548 (t80) cc_final: 0.9292 (t80) REVERT: I 469 MET cc_start: 0.8975 (mmm) cc_final: 0.8619 (mmm) REVERT: I 481 ILE cc_start: 0.9303 (mm) cc_final: 0.8964 (tp) REVERT: I 504 GLN cc_start: 0.9270 (tp40) cc_final: 0.8903 (tp40) REVERT: J 21 LYS cc_start: 0.8888 (mttt) cc_final: 0.8481 (mttt) REVERT: J 49 GLU cc_start: 0.8025 (mt-10) cc_final: 0.7725 (mt-10) REVERT: J 69 MET cc_start: 0.8163 (mtt) cc_final: 0.7718 (pmm) REVERT: J 74 GLU cc_start: 0.8790 (mt-10) cc_final: 0.8557 (pt0) REVERT: J 94 GLU cc_start: 0.9498 (tt0) cc_final: 0.9063 (tt0) REVERT: J 109 VAL cc_start: 0.8225 (p) cc_final: 0.7937 (p) REVERT: J 113 LEU cc_start: 0.8087 (mt) cc_final: 0.7498 (mt) REVERT: J 128 ASP cc_start: 0.9174 (m-30) cc_final: 0.8961 (p0) REVERT: J 137 LEU cc_start: 0.9019 (mt) cc_final: 0.8658 (mt) REVERT: J 142 LYS cc_start: 0.9222 (mttt) cc_final: 0.8825 (mppt) REVERT: J 146 HIS cc_start: 0.9231 (m-70) cc_final: 0.8146 (m-70) REVERT: J 150 TRP cc_start: 0.8084 (t60) cc_final: 0.7841 (t60) REVERT: J 157 PHE cc_start: 0.9344 (m-80) cc_final: 0.8675 (m-80) REVERT: J 158 PHE cc_start: 0.9424 (m-80) cc_final: 0.9114 (m-80) REVERT: J 176 ARG cc_start: 0.8617 (ttp-170) cc_final: 0.8047 (ptm160) REVERT: J 205 TYR cc_start: 0.8969 (p90) cc_final: 0.8474 (p90) REVERT: J 278 ARG cc_start: 0.5308 (mtp180) cc_final: 0.5032 (mtp-110) REVERT: J 301 MET cc_start: 0.2977 (tmm) cc_final: 0.2749 (tmm) REVERT: J 371 MET cc_start: 0.9340 (mtp) cc_final: 0.9019 (mtm) REVERT: J 396 ILE cc_start: 0.7676 (mm) cc_final: 0.7080 (mm) REVERT: J 400 GLU cc_start: 0.9012 (tp30) cc_final: 0.8703 (tp30) REVERT: J 409 GLU cc_start: 0.9215 (mt-10) cc_final: 0.8945 (mt-10) REVERT: J 411 GLN cc_start: 0.9172 (mt0) cc_final: 0.8644 (pt0) REVERT: J 413 LYS cc_start: 0.9015 (mmtt) cc_final: 0.8692 (mmtt) REVERT: J 414 PHE cc_start: 0.9467 (t80) cc_final: 0.8658 (t80) REVERT: J 423 LYS cc_start: 0.8079 (tmtt) cc_final: 0.7796 (ttpp) REVERT: J 431 ILE cc_start: 0.7134 (mt) cc_final: 0.6644 (tp) REVERT: J 448 PHE cc_start: 0.7776 (m-80) cc_final: 0.7175 (m-80) REVERT: J 451 ASP cc_start: 0.9128 (t0) cc_final: 0.8686 (t70) REVERT: J 457 LEU cc_start: 0.8880 (tt) cc_final: 0.8331 (tt) REVERT: J 458 LYS cc_start: 0.8642 (ttpt) cc_final: 0.8338 (ttpt) REVERT: J 461 GLU cc_start: 0.9313 (mt-10) cc_final: 0.9050 (mt-10) REVERT: J 483 HIS cc_start: 0.7294 (m170) cc_final: 0.7028 (m170) REVERT: J 493 MET cc_start: 0.8668 (mmp) cc_final: 0.7964 (mmm) REVERT: J 498 ILE cc_start: 0.8843 (mt) cc_final: 0.8503 (mt) REVERT: K 20 PHE cc_start: 0.9557 (t80) cc_final: 0.9105 (t80) REVERT: K 125 MET cc_start: 0.8157 (mmp) cc_final: 0.7917 (mmp) REVERT: K 176 ARG cc_start: 0.6709 (tmt170) cc_final: 0.5634 (ttt180) REVERT: K 178 ASP cc_start: 0.9400 (t0) cc_final: 0.8975 (t0) REVERT: K 256 ARG cc_start: 0.8150 (mtt180) cc_final: 0.7741 (mtm180) REVERT: K 360 GLU cc_start: 0.9420 (mm-30) cc_final: 0.9163 (mm-30) REVERT: K 361 ASP cc_start: 0.8397 (p0) cc_final: 0.8166 (p0) REVERT: K 396 ILE cc_start: 0.8928 (tt) cc_final: 0.8635 (tt) REVERT: K 401 LEU cc_start: 0.9054 (mt) cc_final: 0.8794 (mt) REVERT: K 405 LYS cc_start: 0.9243 (mttt) cc_final: 0.8900 (mtmm) REVERT: K 409 GLU cc_start: 0.9479 (mt-10) cc_final: 0.9119 (mt-10) REVERT: K 410 LEU cc_start: 0.9711 (mt) cc_final: 0.9433 (mt) REVERT: K 411 GLN cc_start: 0.9016 (mt0) cc_final: 0.8275 (mm-40) REVERT: K 420 ASP cc_start: 0.9532 (t0) cc_final: 0.9090 (t0) REVERT: K 457 LEU cc_start: 0.8944 (mt) cc_final: 0.8648 (mt) REVERT: K 461 GLU cc_start: 0.8475 (mt-10) cc_final: 0.8217 (mt-10) REVERT: K 472 MET cc_start: 0.9244 (mtm) cc_final: 0.8391 (ptp) REVERT: K 487 MET cc_start: 0.8834 (mtm) cc_final: 0.8514 (mtp) REVERT: K 488 LYS cc_start: 0.8310 (pttp) cc_final: 0.8022 (pttp) REVERT: K 490 ILE cc_start: 0.9105 (mt) cc_final: 0.8854 (mt) REVERT: K 503 LYS cc_start: 0.7880 (tttm) cc_final: 0.7577 (mmmm) REVERT: K 506 GLU cc_start: 0.8408 (OUTLIER) cc_final: 0.7929 (pm20) REVERT: L 43 PHE cc_start: 0.6666 (t80) cc_final: 0.6143 (t80) REVERT: L 83 MET cc_start: 0.8913 (ttp) cc_final: 0.8689 (tpp) REVERT: L 85 ASN cc_start: 0.8633 (m-40) cc_final: 0.7940 (m-40) REVERT: L 112 ASN cc_start: 0.8506 (m110) cc_final: 0.8190 (m110) REVERT: L 113 LEU cc_start: 0.7012 (mt) cc_final: 0.6274 (mt) REVERT: L 127 LEU cc_start: 0.9156 (mt) cc_final: 0.8872 (mt) REVERT: L 128 ASP cc_start: 0.9526 (m-30) cc_final: 0.9005 (t0) REVERT: L 150 TRP cc_start: 0.8051 (t-100) cc_final: 0.7269 (t-100) REVERT: L 215 TYR cc_start: 0.7050 (m-10) cc_final: 0.6838 (m-80) REVERT: L 235 VAL cc_start: 0.9433 (t) cc_final: 0.9194 (p) REVERT: L 268 GLU cc_start: 0.9286 (tt0) cc_final: 0.8533 (tm-30) REVERT: L 277 THR cc_start: 0.8088 (p) cc_final: 0.7830 (p) REVERT: L 363 ARG cc_start: 0.8904 (mtt180) cc_final: 0.8357 (ttm-80) REVERT: L 396 ILE cc_start: 0.6162 (mm) cc_final: 0.5310 (mm) REVERT: L 407 ILE cc_start: 0.9515 (mm) cc_final: 0.9066 (mm) REVERT: L 411 GLN cc_start: 0.9050 (mt0) cc_final: 0.8777 (tt0) REVERT: L 414 PHE cc_start: 0.9166 (t80) cc_final: 0.8876 (t80) REVERT: L 416 GLU cc_start: 0.9244 (mm-30) cc_final: 0.8994 (mm-30) REVERT: L 419 LEU cc_start: 0.9431 (mt) cc_final: 0.9150 (mt) REVERT: L 420 ASP cc_start: 0.9189 (t0) cc_final: 0.8910 (t0) REVERT: L 434 GLU cc_start: 0.8549 (tt0) cc_final: 0.7921 (pm20) REVERT: L 477 ILE cc_start: 0.9104 (pt) cc_final: 0.8821 (pt) REVERT: L 504 GLN cc_start: 0.9077 (mt0) cc_final: 0.8746 (mt0) REVERT: M 8 LEU cc_start: 0.8761 (tp) cc_final: 0.7969 (tp) REVERT: M 12 TRP cc_start: 0.7447 (m-90) cc_final: 0.5795 (m-90) REVERT: M 78 THR cc_start: 0.8700 (m) cc_final: 0.8394 (p) REVERT: M 79 TYR cc_start: 0.9242 (m-10) cc_final: 0.8857 (m-80) REVERT: M 94 GLU cc_start: 0.9428 (tt0) cc_final: 0.9042 (tm-30) REVERT: M 98 ASP cc_start: 0.9475 (m-30) cc_final: 0.8804 (m-30) REVERT: M 146 HIS cc_start: 0.8898 (m-70) cc_final: 0.8456 (m-70) REVERT: M 151 TYR cc_start: 0.9481 (t80) cc_final: 0.9176 (t80) REVERT: M 153 ASP cc_start: 0.9282 (m-30) cc_final: 0.8527 (t0) REVERT: M 158 PHE cc_start: 0.9134 (m-80) cc_final: 0.8776 (m-80) REVERT: M 177 LEU cc_start: 0.8836 (mt) cc_final: 0.8601 (mt) REVERT: M 239 HIS cc_start: 0.8291 (p90) cc_final: 0.7479 (p90) REVERT: M 251 ILE cc_start: 0.7981 (pt) cc_final: 0.7759 (pt) REVERT: M 267 LEU cc_start: 0.8833 (mt) cc_final: 0.8579 (mt) REVERT: M 336 LEU cc_start: 0.7719 (mm) cc_final: 0.7305 (mm) REVERT: M 367 GLN cc_start: 0.8850 (tp40) cc_final: 0.8311 (tp40) REVERT: M 371 MET cc_start: 0.9264 (mtp) cc_final: 0.8520 (mtp) REVERT: M 406 PHE cc_start: 0.9183 (t80) cc_final: 0.8800 (t80) REVERT: M 420 ASP cc_start: 0.9471 (t70) cc_final: 0.9177 (t0) REVERT: M 459 GLU cc_start: 0.9418 (mt-10) cc_final: 0.9151 (mt-10) REVERT: M 463 LEU cc_start: 0.8251 (mt) cc_final: 0.7997 (tp) REVERT: M 469 MET cc_start: 0.9425 (mtm) cc_final: 0.9187 (mmm) REVERT: M 481 ILE cc_start: 0.8362 (tp) cc_final: 0.8134 (tp) REVERT: M 487 MET cc_start: 0.8716 (mtt) cc_final: 0.8255 (mtt) REVERT: M 496 GLU cc_start: 0.8993 (pm20) cc_final: 0.8776 (tm-30) REVERT: M 498 ILE cc_start: 0.7706 (mt) cc_final: 0.7386 (mt) REVERT: M 499 GLU cc_start: 0.8998 (mt-10) cc_final: 0.8522 (pt0) REVERT: M 500 GLN cc_start: 0.8846 (mm110) cc_final: 0.8043 (mm110) REVERT: M 504 GLN cc_start: 0.8491 (tp40) cc_final: 0.7921 (tp40) REVERT: M 507 GLU cc_start: 0.9337 (mt-10) cc_final: 0.9029 (mm-30) REVERT: N 45 VAL cc_start: 0.7411 (OUTLIER) cc_final: 0.7091 (m) REVERT: N 111 LEU cc_start: 0.8480 (tp) cc_final: 0.8080 (tp) REVERT: N 130 PHE cc_start: 0.8627 (t80) cc_final: 0.8206 (t80) REVERT: N 147 PHE cc_start: 0.8823 (t80) cc_final: 0.8246 (t80) REVERT: N 150 TRP cc_start: 0.8839 (t60) cc_final: 0.7072 (t60) REVERT: N 180 ARG cc_start: 0.7459 (mtm180) cc_final: 0.6275 (ttm-80) REVERT: N 400 GLU cc_start: 0.9295 (mm-30) cc_final: 0.8865 (mm-30) REVERT: N 414 PHE cc_start: 0.9005 (t80) cc_final: 0.7914 (t80) REVERT: N 416 GLU cc_start: 0.8641 (mm-30) cc_final: 0.8427 (tt0) REVERT: N 423 LYS cc_start: 0.8197 (pttt) cc_final: 0.7925 (ptpt) REVERT: N 444 ILE cc_start: 0.7140 (mt) cc_final: 0.6597 (mt) REVERT: N 476 PHE cc_start: 0.9509 (m-80) cc_final: 0.9237 (m-80) REVERT: N 493 MET cc_start: 0.7785 (mtp) cc_final: 0.6946 (mtp) REVERT: N 497 GLU cc_start: 0.8510 (tt0) cc_final: 0.8113 (tt0) REVERT: N 498 ILE cc_start: 0.8826 (mt) cc_final: 0.8480 (mt) REVERT: N 507 GLU cc_start: 0.9149 (tt0) cc_final: 0.8546 (tm-30) REVERT: O 16 ASP cc_start: 0.7262 (OUTLIER) cc_final: 0.6864 (p0) REVERT: O 66 GLU cc_start: 0.8342 (tp30) cc_final: 0.7872 (tp30) REVERT: O 69 MET cc_start: 0.8399 (mmm) cc_final: 0.6914 (mmm) REVERT: O 73 ARG cc_start: 0.7754 (mtt-85) cc_final: 0.7455 (tpt-90) REVERT: O 83 MET cc_start: 0.8338 (ttp) cc_final: 0.7653 (tpp) REVERT: O 113 LEU cc_start: 0.7533 (mp) cc_final: 0.7029 (mp) REVERT: O 132 ASP cc_start: 0.9175 (t0) cc_final: 0.8902 (t0) REVERT: O 137 LEU cc_start: 0.9659 (mt) cc_final: 0.9266 (mt) REVERT: O 146 HIS cc_start: 0.8715 (m-70) cc_final: 0.8314 (m90) REVERT: O 158 PHE cc_start: 0.9302 (m-80) cc_final: 0.9084 (m-80) REVERT: O 159 HIS cc_start: 0.9313 (t70) cc_final: 0.8838 (t70) REVERT: O 172 LYS cc_start: 0.7267 (mmtt) cc_final: 0.6921 (mtmt) REVERT: O 175 ARG cc_start: 0.6405 (tmt170) cc_final: 0.5980 (tmt170) REVERT: O 180 ARG cc_start: 0.7610 (mtm180) cc_final: 0.6926 (mpp80) REVERT: O 274 TYR cc_start: 0.8777 (t80) cc_final: 0.8064 (t80) REVERT: O 275 ARG cc_start: 0.8008 (mmm160) cc_final: 0.7597 (mmm160) REVERT: O 292 MET cc_start: 0.6118 (mtt) cc_final: 0.5278 (ttm) REVERT: O 334 TYR cc_start: 0.7888 (m-80) cc_final: 0.6870 (m-80) REVERT: O 349 THR cc_start: 0.7042 (p) cc_final: 0.6824 (m) REVERT: O 350 LEU cc_start: 0.8195 (mt) cc_final: 0.7786 (mt) REVERT: O 364 TRP cc_start: 0.9065 (t60) cc_final: 0.8762 (t60) REVERT: O 408 ARG cc_start: 0.9207 (ttm110) cc_final: 0.8899 (ttp-110) REVERT: O 409 GLU cc_start: 0.9262 (tt0) cc_final: 0.8997 (pt0) REVERT: O 413 LYS cc_start: 0.8930 (mttp) cc_final: 0.8411 (ttmm) REVERT: O 416 GLU cc_start: 0.8283 (mm-30) cc_final: 0.7593 (tt0) REVERT: O 420 ASP cc_start: 0.9474 (t0) cc_final: 0.9190 (t0) REVERT: O 437 TRP cc_start: 0.8244 (t-100) cc_final: 0.7859 (t-100) REVERT: O 465 ARG cc_start: 0.9367 (mtm-85) cc_final: 0.8987 (ptp-170) REVERT: O 490 ILE cc_start: 0.9279 (mp) cc_final: 0.8964 (mp) REVERT: O 500 GLN cc_start: 0.9404 (mm-40) cc_final: 0.9036 (mm-40) REVERT: P 24 GLU cc_start: 0.9213 (tt0) cc_final: 0.8979 (tp30) REVERT: P 47 SER cc_start: 0.7681 (t) cc_final: 0.7178 (m) REVERT: P 104 ASP cc_start: 0.9325 (m-30) cc_final: 0.8622 (p0) REVERT: P 105 ASP cc_start: 0.8971 (m-30) cc_final: 0.8448 (t70) REVERT: P 125 MET cc_start: 0.8655 (mmm) cc_final: 0.8247 (mtt) REVERT: P 132 ASP cc_start: 0.8491 (t0) cc_final: 0.8038 (m-30) REVERT: P 156 ILE cc_start: 0.8237 (tt) cc_final: 0.7934 (tt) REVERT: P 158 PHE cc_start: 0.9283 (m-80) cc_final: 0.8965 (m-80) REVERT: P 235 VAL cc_start: 0.9234 (m) cc_final: 0.8779 (p) REVERT: P 255 HIS cc_start: 0.9208 (t70) cc_final: 0.8947 (t70) REVERT: P 332 GLU cc_start: 0.8522 (mm-30) cc_final: 0.8246 (mm-30) REVERT: P 358 ASN cc_start: 0.8602 (m-40) cc_final: 0.7671 (t0) REVERT: P 380 ILE cc_start: 0.8719 (mt) cc_final: 0.8392 (mt) REVERT: P 398 ARG cc_start: 0.7674 (tpp80) cc_final: 0.6785 (mmm160) REVERT: P 436 GLU cc_start: 0.8355 (mt-10) cc_final: 0.7856 (mm-30) REVERT: P 448 PHE cc_start: 0.8876 (m-80) cc_final: 0.8303 (m-80) REVERT: P 457 LEU cc_start: 0.9584 (mt) cc_final: 0.9292 (mt) REVERT: P 499 GLU cc_start: 0.7303 (mt-10) cc_final: 0.6667 (mm-30) REVERT: P 501 GLU cc_start: 0.9087 (mm-30) cc_final: 0.8332 (mm-30) REVERT: P 505 ILE cc_start: 0.6718 (mt) cc_final: 0.5335 (mt) outliers start: 32 outliers final: 3 residues processed: 7871 average time/residue: 1.2863 time to fit residues: 17707.5576 Evaluate side-chains 6461 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 10 poor density : 6451 time to evaluate : 11.865 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 973 optimal weight: 3.9990 chunk 543 optimal weight: 3.9990 chunk 1457 optimal weight: 7.9990 chunk 1192 optimal weight: 0.8980 chunk 482 optimal weight: 1.9990 chunk 1753 optimal weight: 10.0000 chunk 1894 optimal weight: 6.9990 chunk 1562 optimal weight: 4.9990 chunk 1739 optimal weight: 6.9990 chunk 597 optimal weight: 5.9990 chunk 1407 optimal weight: 3.9990 overall best weight: 2.9788 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 215 GLN ** b 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** b 315 GLN ** c 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 240 ASN c 311 ASN c 356 GLN ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 236 GLN ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 315 GLN e 427 GLN ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 90 GLN f 245 ASN ** f 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 505 ASN h 180 HIS ** h 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 311 ASN ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 497 GLN j 180 HIS ** j 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 311 ASN ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 490 GLN k 215 GLN k 240 ASN ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 381 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 171 GLN ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 381 ASN m 497 GLN n 215 GLN ** n 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** n 427 GLN ** n 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 191 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 311 ASN ** o 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 171 GLN ** p 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN q 282 HIS q 381 ASN ** q 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 427 GLN ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 105 ASN ** r 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** r 183 GLN r 282 HIS ** r 367 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 236 GLN ** s 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 427 GLN ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 157 GLN ** t 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** t 303 ASN ** t 466 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 83 GLN ** v 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** w 115 GLN ** w 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** w 195 GLN w 257 GLN ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 431 GLN ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 311 ASN ** x 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 497 GLN ** y 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 191 GLN ** y 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN ** y 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 303 ASN z 311 ASN z 315 GLN z 356 GLN ** A 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** A 191 GLN ** A 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 356 GLN ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 183 GLN ** D 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 240 ASN ** D 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** E 19 ASN E 262 ASN E 327 ASN F 367 GLN F 442 ASN ** F 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 135 ASN G 159 HIS ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 239 HIS ** G 442 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** G 483 HIS H 90 ASN H 135 ASN H 212 HIS H 300 HIS I 48 ASN I 85 ASN ** I 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 212 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 327 ASN I 442 ASN I 504 GLN J 23 GLN J 48 ASN J 124 ASN J 262 ASN ** J 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 325 GLN J 327 ASN J 412 HIS K 23 GLN ** K 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 183 GLN K 249 ASN K 262 ASN K 303 HIS K 327 ASN ** L 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 212 HIS L 249 ASN L 310 ASN L 358 ASN ** M 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 239 HIS M 255 HIS ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 59 GLN N 136 HIS ** N 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 367 GLN N 438 ASN ** N 449 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** O 55 ASN O 438 ASN O 442 ASN O 468 ASN O 492 GLN ** P 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** P 303 HIS P 355 ASN Total number of N/Q/H flips: 105 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7207 moved from start: 0.4956 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.006 0.144 153284 Z= 0.426 Angle : 0.880 15.296 207272 Z= 0.484 Chirality : 0.050 0.416 22633 Planarity : 0.006 0.116 27252 Dihedral : 6.135 56.496 21163 Min Nonbonded Distance : 1.936 Molprobity Statistics. All-atom Clashscore : 28.46 Ramachandran Plot: Outliers : 0.21 % Allowed : 7.94 % Favored : 91.86 % Rotamer: Outliers : 0.15 % Allowed : 3.51 % Favored : 96.33 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.05 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.36 (0.06), residues: 19365 helix: 0.24 (0.06), residues: 6070 sheet: -1.30 (0.09), residues: 3103 loop : -1.48 (0.06), residues: 10192 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.043 0.003 TRP u 247 HIS 0.018 0.003 HIS e 180 PHE 0.046 0.003 PHE P 403 TYR 0.045 0.003 TYR F 184 ARG 0.017 0.001 ARG F 41 *********************** REFINEMENT MACRO_CYCLE 3 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7312 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 24 poor density : 7288 time to evaluate : 12.127 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.8261 (m-70) cc_final: 0.7688 (m170) REVERT: a 79 ILE cc_start: 0.8451 (mt) cc_final: 0.8236 (mt) REVERT: a 83 GLN cc_start: 0.8537 (tp40) cc_final: 0.8005 (tm-30) REVERT: a 124 VAL cc_start: 0.8822 (p) cc_final: 0.8336 (m) REVERT: a 134 ASP cc_start: 0.8717 (t0) cc_final: 0.8225 (t0) REVERT: a 145 HIS cc_start: 0.8558 (t-90) cc_final: 0.8034 (t-90) REVERT: a 147 MET cc_start: 0.8179 (mmm) cc_final: 0.7746 (mmt) REVERT: a 151 ASP cc_start: 0.8716 (t0) cc_final: 0.8430 (t0) REVERT: a 199 ASP cc_start: 0.7788 (t0) cc_final: 0.7575 (t0) REVERT: a 216 MET cc_start: 0.9761 (ptp) cc_final: 0.9443 (ptt) REVERT: a 256 LYS cc_start: 0.8991 (ptmt) cc_final: 0.8616 (ptpt) REVERT: a 277 ASP cc_start: 0.9389 (m-30) cc_final: 0.9181 (m-30) REVERT: a 289 GLU cc_start: 0.9152 (tm-30) cc_final: 0.8764 (tm-30) REVERT: a 294 LEU cc_start: 0.9497 (mt) cc_final: 0.9271 (mt) REVERT: a 318 LYS cc_start: 0.9337 (tttp) cc_final: 0.8664 (tttp) REVERT: a 322 THR cc_start: 0.8570 (p) cc_final: 0.8250 (p) REVERT: a 333 ASP cc_start: 0.8213 (t0) cc_final: 0.7919 (t0) REVERT: a 334 PHE cc_start: 0.9198 (m-80) cc_final: 0.8903 (m-80) REVERT: a 336 ASP cc_start: 0.8245 (t0) cc_final: 0.7949 (t0) REVERT: a 350 PHE cc_start: 0.9504 (m-80) cc_final: 0.8832 (m-80) REVERT: a 363 GLU cc_start: 0.9205 (tp30) cc_final: 0.8524 (pt0) REVERT: a 364 ILE cc_start: 0.9649 (mm) cc_final: 0.9400 (mm) REVERT: a 376 ILE cc_start: 0.9308 (tt) cc_final: 0.9000 (tt) REVERT: a 390 ASP cc_start: 0.8613 (t0) cc_final: 0.8249 (t70) REVERT: a 391 THR cc_start: 0.9589 (p) cc_final: 0.9227 (t) REVERT: a 430 LYS cc_start: 0.9320 (mmpt) cc_final: 0.8891 (tppt) REVERT: a 442 ASN cc_start: 0.8242 (t0) cc_final: 0.8038 (t0) REVERT: a 443 GLU cc_start: 0.8591 (mm-30) cc_final: 0.8036 (mm-30) REVERT: a 444 MET cc_start: 0.8983 (ptp) cc_final: 0.8704 (ptp) REVERT: a 449 TYR cc_start: 0.8167 (m-10) cc_final: 0.7825 (m-80) REVERT: a 471 MET cc_start: 0.8194 (ppp) cc_final: 0.7865 (ppp) REVERT: a 481 ILE cc_start: 0.9408 (pt) cc_final: 0.8436 (pt) REVERT: a 482 ASN cc_start: 0.9023 (t0) cc_final: 0.8208 (t0) REVERT: a 497 GLN cc_start: 0.7891 (mm-40) cc_final: 0.7624 (mm-40) REVERT: a 505 ASN cc_start: 0.8441 (m110) cc_final: 0.8106 (m110) REVERT: b 105 ASN cc_start: 0.8832 (m-40) cc_final: 0.8037 (p0) REVERT: b 106 LEU cc_start: 0.8812 (pp) cc_final: 0.8485 (pp) REVERT: b 118 ASN cc_start: 0.8994 (p0) cc_final: 0.8791 (p0) REVERT: b 133 LYS cc_start: 0.7780 (mtpp) cc_final: 0.7320 (tptt) REVERT: b 142 GLU cc_start: 0.7415 (tt0) cc_final: 0.7169 (tt0) REVERT: b 147 MET cc_start: 0.8035 (mtm) cc_final: 0.7658 (mtm) REVERT: b 183 GLN cc_start: 0.9061 (pp30) cc_final: 0.8806 (pp30) REVERT: b 184 GLU cc_start: 0.9088 (pm20) cc_final: 0.8752 (pm20) REVERT: b 199 ASP cc_start: 0.8420 (t0) cc_final: 0.7874 (t0) REVERT: b 207 LYS cc_start: 0.9080 (mttt) cc_final: 0.8828 (mtmt) REVERT: b 212 ILE cc_start: 0.9572 (mt) cc_final: 0.9293 (mt) REVERT: b 223 GLU cc_start: 0.8031 (pm20) cc_final: 0.7784 (pm20) REVERT: b 228 MET cc_start: 0.8470 (ptp) cc_final: 0.8259 (ptp) REVERT: b 232 ILE cc_start: 0.9460 (mt) cc_final: 0.8942 (mt) REVERT: b 234 GLU cc_start: 0.9171 (tt0) cc_final: 0.8904 (tt0) REVERT: b 247 TRP cc_start: 0.7635 (m100) cc_final: 0.6180 (m100) REVERT: b 252 PHE cc_start: 0.8399 (p90) cc_final: 0.8126 (p90) REVERT: b 267 LYS cc_start: 0.8591 (mttp) cc_final: 0.7756 (tptp) REVERT: b 285 ASP cc_start: 0.6940 (m-30) cc_final: 0.6616 (p0) REVERT: b 305 GLU cc_start: 0.9302 (mt-10) cc_final: 0.8931 (mt-10) REVERT: b 350 PHE cc_start: 0.9656 (m-10) cc_final: 0.9286 (m-10) REVERT: b 362 VAL cc_start: 0.9492 (t) cc_final: 0.9232 (t) REVERT: b 426 ASP cc_start: 0.8702 (t0) cc_final: 0.7778 (t0) REVERT: b 427 GLN cc_start: 0.9154 (pt0) cc_final: 0.8771 (pt0) REVERT: b 428 TYR cc_start: 0.9359 (m-80) cc_final: 0.8602 (m-80) REVERT: b 431 GLN cc_start: 0.8858 (tp40) cc_final: 0.8633 (tp-100) REVERT: b 442 ASN cc_start: 0.8617 (t0) cc_final: 0.8180 (t0) REVERT: b 466 ASN cc_start: 0.8745 (p0) cc_final: 0.8424 (m-40) REVERT: b 481 ILE cc_start: 0.9213 (mt) cc_final: 0.8997 (mp) REVERT: b 482 ASN cc_start: 0.8525 (t0) cc_final: 0.8304 (t0) REVERT: b 483 PRO cc_start: 0.9546 (Cg_exo) cc_final: 0.9285 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8889 (m-80) cc_final: 0.7106 (m-10) REVERT: b 486 GLU cc_start: 0.8935 (pm20) cc_final: 0.8449 (tm-30) REVERT: b 500 MET cc_start: 0.8287 (mmp) cc_final: 0.8067 (mmp) REVERT: b 509 LYS cc_start: 0.9097 (mttt) cc_final: 0.8841 (mttm) REVERT: b 510 ASN cc_start: 0.9451 (t0) cc_final: 0.9227 (t0) REVERT: c 90 GLN cc_start: 0.8260 (mm-40) cc_final: 0.7757 (mm110) REVERT: c 110 ASP cc_start: 0.7629 (m-30) cc_final: 0.7353 (m-30) REVERT: c 131 TYR cc_start: 0.9109 (p90) cc_final: 0.8112 (p90) REVERT: c 151 ASP cc_start: 0.8096 (t0) cc_final: 0.7789 (p0) REVERT: c 163 PHE cc_start: 0.8576 (m-10) cc_final: 0.7956 (m-10) REVERT: c 166 LEU cc_start: 0.9166 (mt) cc_final: 0.8955 (mt) REVERT: c 177 ILE cc_start: 0.9474 (mp) cc_final: 0.9096 (tp) REVERT: c 183 GLN cc_start: 0.9262 (tm-30) cc_final: 0.8967 (tm-30) REVERT: c 247 TRP cc_start: 0.7462 (m-10) cc_final: 0.7005 (m100) REVERT: c 262 LYS cc_start: 0.8646 (mttt) cc_final: 0.8426 (tttt) REVERT: c 294 LEU cc_start: 0.9677 (mt) cc_final: 0.9372 (mt) REVERT: c 308 ASP cc_start: 0.9409 (m-30) cc_final: 0.9209 (m-30) REVERT: c 311 ASN cc_start: 0.9434 (m-40) cc_final: 0.9047 (t0) REVERT: c 390 ASP cc_start: 0.8431 (t0) cc_final: 0.8040 (t0) REVERT: c 400 LEU cc_start: 0.9588 (mt) cc_final: 0.9312 (mt) REVERT: c 417 LEU cc_start: 0.8967 (tp) cc_final: 0.8733 (tp) REVERT: c 463 ASP cc_start: 0.8843 (t0) cc_final: 0.8594 (t0) REVERT: c 490 GLN cc_start: 0.8750 (mp10) cc_final: 0.7073 (mt0) REVERT: d 83 GLN cc_start: 0.7627 (tm-30) cc_final: 0.7347 (tt0) REVERT: d 84 THR cc_start: 0.8569 (p) cc_final: 0.7212 (p) REVERT: d 96 MET cc_start: 0.8458 (tpp) cc_final: 0.7847 (tpp) REVERT: d 106 LEU cc_start: 0.8961 (mp) cc_final: 0.8735 (mp) REVERT: d 110 ASP cc_start: 0.8619 (m-30) cc_final: 0.8391 (m-30) REVERT: d 128 ARG cc_start: 0.8290 (mtm180) cc_final: 0.7766 (mtm180) REVERT: d 142 GLU cc_start: 0.7396 (tt0) cc_final: 0.6936 (tp30) REVERT: d 209 ASP cc_start: 0.8606 (m-30) cc_final: 0.8250 (m-30) REVERT: d 213 LYS cc_start: 0.9029 (mtmm) cc_final: 0.8636 (mttt) REVERT: d 216 MET cc_start: 0.9119 (mtp) cc_final: 0.8770 (mtt) REVERT: d 250 MET cc_start: 0.8902 (mpp) cc_final: 0.8581 (mpp) REVERT: d 279 ARG cc_start: 0.8549 (ttm-80) cc_final: 0.8107 (tpp80) REVERT: d 322 THR cc_start: 0.8552 (p) cc_final: 0.8300 (p) REVERT: d 332 PHE cc_start: 0.9320 (t80) cc_final: 0.8577 (t80) REVERT: d 334 PHE cc_start: 0.7691 (m-80) cc_final: 0.6870 (m-80) REVERT: d 336 ASP cc_start: 0.8526 (t0) cc_final: 0.8294 (t0) REVERT: d 351 LYS cc_start: 0.9223 (mtmm) cc_final: 0.8971 (mtmm) REVERT: d 363 GLU cc_start: 0.9292 (tp30) cc_final: 0.8667 (tp30) REVERT: d 384 ASN cc_start: 0.9137 (m-40) cc_final: 0.8912 (m-40) REVERT: d 390 ASP cc_start: 0.9034 (t0) cc_final: 0.8701 (t70) REVERT: d 391 THR cc_start: 0.9371 (p) cc_final: 0.8866 (t) REVERT: d 412 VAL cc_start: 0.9336 (m) cc_final: 0.8853 (m) REVERT: d 424 TYR cc_start: 0.8743 (m-80) cc_final: 0.7493 (m-10) REVERT: d 432 ASP cc_start: 0.8327 (p0) cc_final: 0.7813 (p0) REVERT: d 497 GLN cc_start: 0.9255 (mm110) cc_final: 0.8935 (mp10) REVERT: d 513 PHE cc_start: 0.9439 (m-80) cc_final: 0.8765 (m-80) REVERT: d 515 ARG cc_start: 0.8701 (tmm160) cc_final: 0.8029 (tmm-80) REVERT: d 518 VAL cc_start: 0.9585 (p) cc_final: 0.8959 (p) REVERT: e 96 MET cc_start: 0.8789 (mtm) cc_final: 0.8539 (mtt) REVERT: e 105 ASN cc_start: 0.9237 (t0) cc_final: 0.8908 (m-40) REVERT: e 118 ASN cc_start: 0.9251 (p0) cc_final: 0.9026 (p0) REVERT: e 123 GLN cc_start: 0.9265 (pt0) cc_final: 0.8974 (pt0) REVERT: e 147 MET cc_start: 0.7844 (mmt) cc_final: 0.7244 (mmm) REVERT: e 190 LEU cc_start: 0.9472 (mt) cc_final: 0.9262 (mt) REVERT: e 221 LEU cc_start: 0.9600 (mt) cc_final: 0.9341 (mt) REVERT: e 228 MET cc_start: 0.8694 (ttp) cc_final: 0.8375 (ttp) REVERT: e 250 MET cc_start: 0.8214 (mpp) cc_final: 0.7758 (mpp) REVERT: e 266 LEU cc_start: 0.9609 (mt) cc_final: 0.9317 (mt) REVERT: e 309 TRP cc_start: 0.9351 (m100) cc_final: 0.9008 (m100) REVERT: e 315 GLN cc_start: 0.7977 (mt0) cc_final: 0.7677 (mt0) REVERT: e 321 MET cc_start: 0.7581 (mtm) cc_final: 0.7171 (ptp) REVERT: e 344 ARG cc_start: 0.7899 (mmt180) cc_final: 0.7328 (mmt90) REVERT: e 351 LYS cc_start: 0.8800 (mttm) cc_final: 0.8469 (mttm) REVERT: e 359 LYS cc_start: 0.9479 (mtpt) cc_final: 0.9013 (mtpt) REVERT: e 363 GLU cc_start: 0.9223 (tp30) cc_final: 0.8590 (tp30) REVERT: e 367 GLN cc_start: 0.9277 (tp40) cc_final: 0.8970 (tp40) REVERT: e 390 ASP cc_start: 0.8648 (t0) cc_final: 0.8432 (t70) REVERT: e 391 THR cc_start: 0.9280 (p) cc_final: 0.9041 (p) REVERT: e 400 LEU cc_start: 0.9303 (mt) cc_final: 0.9096 (mt) REVERT: e 405 SER cc_start: 0.9063 (m) cc_final: 0.8746 (p) REVERT: e 410 LYS cc_start: 0.9550 (tttt) cc_final: 0.9313 (tttt) REVERT: e 434 PHE cc_start: 0.9615 (p90) cc_final: 0.9414 (p90) REVERT: e 448 ILE cc_start: 0.9411 (mt) cc_final: 0.9125 (mt) REVERT: e 452 PRO cc_start: 0.9436 (Cg_endo) cc_final: 0.8781 (Cg_exo) REVERT: e 463 ASP cc_start: 0.9299 (t0) cc_final: 0.9034 (t0) REVERT: e 481 ILE cc_start: 0.9479 (pt) cc_final: 0.9266 (pt) REVERT: e 482 ASN cc_start: 0.9280 (t0) cc_final: 0.8652 (t0) REVERT: e 497 GLN cc_start: 0.8948 (mm110) cc_final: 0.8678 (mm-40) REVERT: e 513 PHE cc_start: 0.9582 (m-80) cc_final: 0.9085 (m-80) REVERT: e 517 TYR cc_start: 0.8673 (m-80) cc_final: 0.8421 (m-80) REVERT: f 96 MET cc_start: 0.8529 (mtm) cc_final: 0.7812 (mtm) REVERT: f 124 VAL cc_start: 0.8939 (p) cc_final: 0.8313 (p) REVERT: f 131 TYR cc_start: 0.8451 (p90) cc_final: 0.8081 (p90) REVERT: f 166 LEU cc_start: 0.9289 (mt) cc_final: 0.9086 (mt) REVERT: f 211 GLU cc_start: 0.9114 (tp30) cc_final: 0.8502 (tp30) REVERT: f 247 TRP cc_start: 0.8775 (m-10) cc_final: 0.8241 (m100) REVERT: f 259 ILE cc_start: 0.9068 (mt) cc_final: 0.8815 (mt) REVERT: f 267 LYS cc_start: 0.9084 (pttp) cc_final: 0.8842 (pttt) REVERT: f 274 LEU cc_start: 0.9739 (tp) cc_final: 0.9508 (tp) REVERT: f 277 ASP cc_start: 0.9524 (m-30) cc_final: 0.9168 (p0) REVERT: f 278 LEU cc_start: 0.9714 (mt) cc_final: 0.9511 (mt) REVERT: f 299 MET cc_start: 0.8820 (mmm) cc_final: 0.8541 (mmm) REVERT: f 300 LEU cc_start: 0.9677 (mt) cc_final: 0.9474 (mt) REVERT: f 303 ASN cc_start: 0.9021 (t0) cc_final: 0.8552 (t0) REVERT: f 311 ASN cc_start: 0.9504 (m110) cc_final: 0.9185 (m-40) REVERT: f 318 LYS cc_start: 0.9535 (mttm) cc_final: 0.8618 (mttm) REVERT: f 334 PHE cc_start: 0.9256 (m-80) cc_final: 0.8658 (m-80) REVERT: f 360 GLU cc_start: 0.9594 (mm-30) cc_final: 0.8889 (mm-30) REVERT: f 375 PHE cc_start: 0.9598 (p90) cc_final: 0.9372 (p90) REVERT: f 386 LEU cc_start: 0.9711 (mt) cc_final: 0.9490 (mt) REVERT: f 390 ASP cc_start: 0.9366 (t0) cc_final: 0.9140 (t0) REVERT: f 417 LEU cc_start: 0.9571 (tp) cc_final: 0.9340 (tp) REVERT: f 426 ASP cc_start: 0.9134 (t0) cc_final: 0.8785 (t0) REVERT: f 428 TYR cc_start: 0.9515 (m-80) cc_final: 0.8566 (m-80) REVERT: f 462 SER cc_start: 0.8924 (p) cc_final: 0.8436 (t) REVERT: f 500 MET cc_start: 0.8665 (ppp) cc_final: 0.8414 (ppp) REVERT: f 510 ASN cc_start: 0.9248 (t0) cc_final: 0.8890 (t0) REVERT: f 513 PHE cc_start: 0.9326 (m-80) cc_final: 0.9125 (m-80) REVERT: g 106 LEU cc_start: 0.8950 (pp) cc_final: 0.8708 (pp) REVERT: g 127 LEU cc_start: 0.8287 (tp) cc_final: 0.8037 (tp) REVERT: g 128 ARG cc_start: 0.9049 (mtt-85) cc_final: 0.8793 (mtt90) REVERT: g 134 ASP cc_start: 0.8714 (t0) cc_final: 0.8380 (t0) REVERT: g 144 PHE cc_start: 0.9453 (m-80) cc_final: 0.9248 (m-80) REVERT: g 145 HIS cc_start: 0.9158 (t-90) cc_final: 0.8733 (t-90) REVERT: g 147 MET cc_start: 0.9213 (mmp) cc_final: 0.8900 (tpp) REVERT: g 161 LYS cc_start: 0.9221 (mmpt) cc_final: 0.8982 (mmmm) REVERT: g 180 HIS cc_start: 0.8001 (t70) cc_final: 0.7569 (t70) REVERT: g 190 LEU cc_start: 0.8106 (mm) cc_final: 0.7848 (mm) REVERT: g 195 GLN cc_start: 0.8017 (tp40) cc_final: 0.7608 (mm110) REVERT: g 199 ASP cc_start: 0.8200 (t0) cc_final: 0.7854 (t0) REVERT: g 212 ILE cc_start: 0.9749 (mt) cc_final: 0.9324 (mt) REVERT: g 216 MET cc_start: 0.9733 (mtm) cc_final: 0.9210 (mtm) REVERT: g 245 ASN cc_start: 0.8564 (t0) cc_final: 0.8174 (t0) REVERT: g 249 GLU cc_start: 0.7917 (pm20) cc_final: 0.6792 (pm20) REVERT: g 250 MET cc_start: 0.8660 (mtp) cc_final: 0.7852 (ptp) REVERT: g 260 GLU cc_start: 0.8168 (mt-10) cc_final: 0.7386 (mt-10) REVERT: g 273 GLU cc_start: 0.9121 (mp0) cc_final: 0.8192 (tp30) REVERT: g 299 MET cc_start: 0.8910 (ttt) cc_final: 0.8638 (ttt) REVERT: g 303 ASN cc_start: 0.9227 (m-40) cc_final: 0.9022 (m-40) REVERT: g 311 ASN cc_start: 0.9858 (m-40) cc_final: 0.9597 (m-40) REVERT: g 315 GLN cc_start: 0.7230 (mt0) cc_final: 0.7000 (mt0) REVERT: g 323 LEU cc_start: 0.9196 (tp) cc_final: 0.8939 (tp) REVERT: g 350 PHE cc_start: 0.9582 (m-10) cc_final: 0.9221 (m-10) REVERT: g 351 LYS cc_start: 0.9328 (mmtt) cc_final: 0.9116 (mmtt) REVERT: g 363 GLU cc_start: 0.9565 (tp30) cc_final: 0.9262 (tp30) REVERT: g 366 ARG cc_start: 0.9033 (ttt-90) cc_final: 0.8245 (ttp80) REVERT: g 372 GLU cc_start: 0.8741 (pt0) cc_final: 0.7943 (mt-10) REVERT: g 404 PHE cc_start: 0.9180 (m-80) cc_final: 0.8957 (m-80) REVERT: g 426 ASP cc_start: 0.8834 (t0) cc_final: 0.8347 (t0) REVERT: g 442 ASN cc_start: 0.8653 (t0) cc_final: 0.8426 (t0) REVERT: g 449 TYR cc_start: 0.8907 (m-80) cc_final: 0.8600 (m-80) REVERT: g 481 ILE cc_start: 0.9452 (mp) cc_final: 0.9237 (mt) REVERT: g 505 ASN cc_start: 0.8996 (t0) cc_final: 0.8598 (t0) REVERT: g 513 PHE cc_start: 0.9540 (m-80) cc_final: 0.8964 (m-80) REVERT: h 72 HIS cc_start: 0.7213 (m-70) cc_final: 0.6836 (m90) REVERT: h 100 ARG cc_start: 0.8559 (ptm160) cc_final: 0.8007 (ttm170) REVERT: h 166 LEU cc_start: 0.9451 (mt) cc_final: 0.9148 (mt) REVERT: h 187 THR cc_start: 0.8008 (t) cc_final: 0.7349 (t) REVERT: h 189 TYR cc_start: 0.8616 (m-10) cc_final: 0.7523 (m-10) REVERT: h 194 VAL cc_start: 0.8660 (t) cc_final: 0.8448 (p) REVERT: h 211 GLU cc_start: 0.9228 (tp30) cc_final: 0.9024 (tm-30) REVERT: h 212 ILE cc_start: 0.9667 (mt) cc_final: 0.9349 (mt) REVERT: h 215 GLN cc_start: 0.9670 (mt0) cc_final: 0.9203 (mm110) REVERT: h 257 GLN cc_start: 0.8925 (pt0) cc_final: 0.8615 (pm20) REVERT: h 258 VAL cc_start: 0.9754 (p) cc_final: 0.9452 (p) REVERT: h 345 TRP cc_start: 0.8838 (p-90) cc_final: 0.7192 (p-90) REVERT: h 357 ILE cc_start: 0.9721 (mt) cc_final: 0.9357 (mt) REVERT: h 360 GLU cc_start: 0.9581 (mt-10) cc_final: 0.9114 (mt-10) REVERT: h 404 PHE cc_start: 0.6114 (m-80) cc_final: 0.5887 (m-80) REVERT: h 432 ASP cc_start: 0.7882 (t0) cc_final: 0.7405 (t0) REVERT: h 442 ASN cc_start: 0.7991 (t0) cc_final: 0.7716 (t0) REVERT: h 457 THR cc_start: 0.9032 (m) cc_final: 0.8764 (p) REVERT: h 482 ASN cc_start: 0.9383 (t0) cc_final: 0.9117 (t0) REVERT: h 484 PHE cc_start: 0.9096 (m-10) cc_final: 0.8430 (m-80) REVERT: h 504 LEU cc_start: 0.9185 (mt) cc_final: 0.8847 (tt) REVERT: h 514 ARG cc_start: 0.7954 (mtp85) cc_final: 0.7469 (mmt90) REVERT: h 518 VAL cc_start: 0.8710 (m) cc_final: 0.8501 (m) REVERT: i 71 ASP cc_start: 0.8021 (t0) cc_final: 0.7489 (t0) REVERT: i 103 ILE cc_start: 0.8429 (mt) cc_final: 0.7545 (mt) REVERT: i 104 PRO cc_start: 0.9417 (Cg_exo) cc_final: 0.8688 (Cg_endo) REVERT: i 110 ASP cc_start: 0.7953 (m-30) cc_final: 0.7299 (m-30) REVERT: i 123 GLN cc_start: 0.8318 (pp30) cc_final: 0.7807 (pp30) REVERT: i 142 GLU cc_start: 0.8883 (tt0) cc_final: 0.8521 (tp30) REVERT: i 145 HIS cc_start: 0.8667 (t-90) cc_final: 0.6754 (t-90) REVERT: i 147 MET cc_start: 0.8683 (mmm) cc_final: 0.7521 (mmm) REVERT: i 148 TYR cc_start: 0.8100 (m-80) cc_final: 0.7177 (m-80) REVERT: i 151 ASP cc_start: 0.8746 (t0) cc_final: 0.8500 (t0) REVERT: i 153 MET cc_start: 0.9053 (tpt) cc_final: 0.8830 (mmm) REVERT: i 177 ILE cc_start: 0.9448 (pt) cc_final: 0.9201 (pt) REVERT: i 180 HIS cc_start: 0.8905 (t70) cc_final: 0.8544 (t-90) REVERT: i 191 GLN cc_start: 0.9566 (tt0) cc_final: 0.9131 (tp40) REVERT: i 199 ASP cc_start: 0.7902 (t70) cc_final: 0.7639 (t70) REVERT: i 216 MET cc_start: 0.9491 (mtp) cc_final: 0.9186 (mtp) REVERT: i 249 GLU cc_start: 0.8141 (mt-10) cc_final: 0.7933 (mt-10) REVERT: i 250 MET cc_start: 0.7397 (mtm) cc_final: 0.6266 (ptp) REVERT: i 289 GLU cc_start: 0.9316 (mm-30) cc_final: 0.9116 (mm-30) REVERT: i 299 MET cc_start: 0.9539 (mmt) cc_final: 0.9280 (mmm) REVERT: i 331 VAL cc_start: 0.9360 (p) cc_final: 0.9152 (p) REVERT: i 332 PHE cc_start: 0.8415 (t80) cc_final: 0.8074 (t80) REVERT: i 336 ASP cc_start: 0.7810 (t0) cc_final: 0.7481 (t0) REVERT: i 348 GLU cc_start: 0.9070 (mt-10) cc_final: 0.8042 (mp0) REVERT: i 351 LYS cc_start: 0.9426 (ttmt) cc_final: 0.9020 (ttmt) REVERT: i 390 ASP cc_start: 0.9054 (t0) cc_final: 0.8577 (t0) REVERT: i 398 GLN cc_start: 0.8456 (tm-30) cc_final: 0.8068 (tm-30) REVERT: i 426 ASP cc_start: 0.8411 (t0) cc_final: 0.7929 (t0) REVERT: i 431 GLN cc_start: 0.7622 (pm20) cc_final: 0.6893 (pm20) REVERT: i 444 MET cc_start: 0.8899 (mmm) cc_final: 0.7896 (tpp) REVERT: i 448 ILE cc_start: 0.8856 (mm) cc_final: 0.8588 (mm) REVERT: i 477 TYR cc_start: 0.9403 (p90) cc_final: 0.9196 (p90) REVERT: j 117 MET cc_start: 0.7873 (mmt) cc_final: 0.7203 (mmm) REVERT: j 144 PHE cc_start: 0.9101 (m-80) cc_final: 0.8150 (m-80) REVERT: j 176 ASP cc_start: 0.9028 (t0) cc_final: 0.8811 (t0) REVERT: j 182 PHE cc_start: 0.9314 (m-80) cc_final: 0.8509 (m-80) REVERT: j 204 ASP cc_start: 0.9086 (t70) cc_final: 0.8844 (t70) REVERT: j 209 ASP cc_start: 0.9344 (m-30) cc_final: 0.8632 (m-30) REVERT: j 213 LYS cc_start: 0.9260 (mttt) cc_final: 0.8396 (tppt) REVERT: j 217 GLU cc_start: 0.8585 (mt-10) cc_final: 0.8205 (mm-30) REVERT: j 228 MET cc_start: 0.7763 (ttp) cc_final: 0.7272 (ptm) REVERT: j 250 MET cc_start: 0.8354 (mtp) cc_final: 0.8073 (ptp) REVERT: j 305 GLU cc_start: 0.9466 (tt0) cc_final: 0.9113 (tt0) REVERT: j 318 LYS cc_start: 0.8733 (tttt) cc_final: 0.7348 (tmtt) REVERT: j 336 ASP cc_start: 0.7696 (t0) cc_final: 0.6929 (t0) REVERT: j 351 LYS cc_start: 0.9555 (mttm) cc_final: 0.9093 (mttm) REVERT: j 391 THR cc_start: 0.8526 (p) cc_final: 0.8083 (t) REVERT: j 395 TYR cc_start: 0.7370 (t80) cc_final: 0.7045 (t80) REVERT: j 404 PHE cc_start: 0.7919 (m-80) cc_final: 0.7156 (m-80) REVERT: j 412 VAL cc_start: 0.9593 (m) cc_final: 0.9025 (m) REVERT: j 413 PHE cc_start: 0.8546 (t80) cc_final: 0.8313 (t80) REVERT: j 420 LYS cc_start: 0.8129 (tptp) cc_final: 0.7739 (tptp) REVERT: j 424 TYR cc_start: 0.8600 (OUTLIER) cc_final: 0.8143 (m-10) REVERT: j 448 ILE cc_start: 0.9452 (mm) cc_final: 0.9245 (mm) REVERT: j 459 LEU cc_start: 0.6705 (mt) cc_final: 0.6125 (mt) REVERT: j 486 GLU cc_start: 0.8431 (tt0) cc_final: 0.8186 (tt0) REVERT: j 513 PHE cc_start: 0.9301 (m-80) cc_final: 0.9001 (m-80) REVERT: k 103 ILE cc_start: 0.8694 (tp) cc_final: 0.8439 (tp) REVERT: k 112 CYS cc_start: 0.8679 (p) cc_final: 0.8237 (p) REVERT: k 115 GLN cc_start: 0.9144 (tp40) cc_final: 0.8858 (tm-30) REVERT: k 127 LEU cc_start: 0.9363 (tt) cc_final: 0.8959 (pp) REVERT: k 142 GLU cc_start: 0.9407 (pm20) cc_final: 0.8917 (pm20) REVERT: k 161 LYS cc_start: 0.8990 (pttp) cc_final: 0.8746 (pttp) REVERT: k 183 GLN cc_start: 0.8835 (mt0) cc_final: 0.8599 (mp10) REVERT: k 187 THR cc_start: 0.8277 (m) cc_final: 0.8059 (p) REVERT: k 189 TYR cc_start: 0.8113 (m-80) cc_final: 0.6537 (m-80) REVERT: k 199 ASP cc_start: 0.6852 (t0) cc_final: 0.6396 (t0) REVERT: k 212 ILE cc_start: 0.9788 (mt) cc_final: 0.9507 (mt) REVERT: k 217 GLU cc_start: 0.9467 (pt0) cc_final: 0.9229 (pt0) REVERT: k 245 ASN cc_start: 0.5360 (p0) cc_final: 0.4964 (p0) REVERT: k 279 ARG cc_start: 0.8873 (tpt170) cc_final: 0.8248 (mtp180) REVERT: k 282 HIS cc_start: 0.8832 (t-170) cc_final: 0.8567 (t-170) REVERT: k 287 ASP cc_start: 0.9489 (p0) cc_final: 0.9239 (p0) REVERT: k 297 GLU cc_start: 0.9125 (mm-30) cc_final: 0.8535 (mm-30) REVERT: k 299 MET cc_start: 0.8886 (mtp) cc_final: 0.8682 (mtm) REVERT: k 311 ASN cc_start: 0.9647 (m-40) cc_final: 0.9184 (m-40) REVERT: k 324 THR cc_start: 0.9031 (m) cc_final: 0.8683 (p) REVERT: k 336 ASP cc_start: 0.8361 (t0) cc_final: 0.8118 (t0) REVERT: k 351 LYS cc_start: 0.9453 (mttm) cc_final: 0.9155 (mttm) REVERT: k 354 LEU cc_start: 0.9650 (mt) cc_final: 0.9340 (mt) REVERT: k 359 LYS cc_start: 0.9778 (tttt) cc_final: 0.9476 (tttt) REVERT: k 366 ARG cc_start: 0.9024 (ptm-80) cc_final: 0.8716 (tmm-80) REVERT: k 384 ASN cc_start: 0.9454 (m-40) cc_final: 0.9249 (m-40) REVERT: k 390 ASP cc_start: 0.9432 (t0) cc_final: 0.9086 (t0) REVERT: k 391 THR cc_start: 0.9471 (p) cc_final: 0.9098 (p) REVERT: k 400 LEU cc_start: 0.9248 (mt) cc_final: 0.8997 (mt) REVERT: k 404 PHE cc_start: 0.8983 (m-80) cc_final: 0.8668 (m-80) REVERT: k 405 SER cc_start: 0.8930 (t) cc_final: 0.8701 (m) REVERT: k 410 LYS cc_start: 0.8902 (mttt) cc_final: 0.8289 (mmmt) REVERT: k 433 TYR cc_start: 0.8639 (p90) cc_final: 0.8357 (p90) REVERT: k 443 GLU cc_start: 0.8793 (tp30) cc_final: 0.7958 (tp30) REVERT: k 444 MET cc_start: 0.8789 (mtp) cc_final: 0.8521 (mmp) REVERT: k 448 ILE cc_start: 0.8281 (pt) cc_final: 0.7972 (mp) REVERT: k 449 TYR cc_start: 0.9028 (m-80) cc_final: 0.8213 (m-80) REVERT: k 471 MET cc_start: 0.7354 (tmm) cc_final: 0.6808 (tmm) REVERT: k 473 PHE cc_start: 0.7864 (m-80) cc_final: 0.6511 (m-80) REVERT: k 481 ILE cc_start: 0.9103 (mp) cc_final: 0.8784 (mp) REVERT: k 482 ASN cc_start: 0.9443 (t0) cc_final: 0.8974 (t0) REVERT: k 490 GLN cc_start: 0.9506 (mp10) cc_final: 0.8800 (mm-40) REVERT: k 513 PHE cc_start: 0.9293 (m-80) cc_final: 0.8644 (m-80) REVERT: k 516 VAL cc_start: 0.8907 (m) cc_final: 0.8583 (t) REVERT: k 518 VAL cc_start: 0.9417 (m) cc_final: 0.9161 (m) REVERT: l 72 HIS cc_start: 0.8559 (m-70) cc_final: 0.7852 (m90) REVERT: l 74 TYR cc_start: 0.8714 (m-80) cc_final: 0.8327 (m-80) REVERT: l 98 MET cc_start: 0.7823 (ppp) cc_final: 0.7487 (ppp) REVERT: l 144 PHE cc_start: 0.9221 (m-80) cc_final: 0.8104 (m-80) REVERT: l 147 MET cc_start: 0.8785 (mmp) cc_final: 0.8242 (mmp) REVERT: l 151 ASP cc_start: 0.8866 (t0) cc_final: 0.8553 (t0) REVERT: l 198 ILE cc_start: 0.9574 (tp) cc_final: 0.9288 (tp) REVERT: l 199 ASP cc_start: 0.9003 (t0) cc_final: 0.8151 (t0) REVERT: l 216 MET cc_start: 0.9491 (mtm) cc_final: 0.9285 (mtt) REVERT: l 226 GLU cc_start: 0.7449 (tt0) cc_final: 0.7035 (tt0) REVERT: l 245 ASN cc_start: 0.6459 (p0) cc_final: 0.6132 (p0) REVERT: l 267 LYS cc_start: 0.8563 (ttpt) cc_final: 0.8201 (ttpt) REVERT: l 272 ILE cc_start: 0.9538 (pt) cc_final: 0.9270 (pt) REVERT: l 273 GLU cc_start: 0.9669 (mp0) cc_final: 0.9392 (mp0) REVERT: l 284 MET cc_start: 0.8457 (mmp) cc_final: 0.8193 (mmm) REVERT: l 301 GLU cc_start: 0.8316 (tt0) cc_final: 0.7742 (tt0) REVERT: l 312 TYR cc_start: 0.9103 (t80) cc_final: 0.8725 (t80) REVERT: l 334 PHE cc_start: 0.8944 (m-80) cc_final: 0.8302 (m-80) REVERT: l 350 PHE cc_start: 0.9699 (m-80) cc_final: 0.9265 (m-80) REVERT: l 363 GLU cc_start: 0.9124 (tp30) cc_final: 0.8637 (tp30) REVERT: l 366 ARG cc_start: 0.9053 (ttt-90) cc_final: 0.8794 (tmm-80) REVERT: l 381 ASN cc_start: 0.9320 (m110) cc_final: 0.8927 (m110) REVERT: l 386 LEU cc_start: 0.9624 (mt) cc_final: 0.9371 (mt) REVERT: l 420 LYS cc_start: 0.9262 (tptp) cc_final: 0.8964 (tppt) REVERT: l 442 ASN cc_start: 0.8541 (t0) cc_final: 0.7747 (t0) REVERT: l 443 GLU cc_start: 0.8803 (mt-10) cc_final: 0.8437 (mt-10) REVERT: l 463 ASP cc_start: 0.8964 (t0) cc_final: 0.8754 (t70) REVERT: l 481 ILE cc_start: 0.8895 (pt) cc_final: 0.8324 (pt) REVERT: l 512 TYR cc_start: 0.9129 (m-80) cc_final: 0.8755 (m-10) REVERT: l 514 ARG cc_start: 0.9249 (tpp80) cc_final: 0.8919 (tpp80) REVERT: m 79 ILE cc_start: 0.9704 (mt) cc_final: 0.9132 (mt) REVERT: m 105 ASN cc_start: 0.8007 (m-40) cc_final: 0.7797 (m-40) REVERT: m 110 ASP cc_start: 0.8360 (m-30) cc_final: 0.7525 (t70) REVERT: m 115 GLN cc_start: 0.7420 (mt0) cc_final: 0.6677 (mt0) REVERT: m 131 TYR cc_start: 0.9389 (p90) cc_final: 0.8494 (p90) REVERT: m 145 HIS cc_start: 0.8811 (t-90) cc_final: 0.8569 (t-90) REVERT: m 162 LYS cc_start: 0.9145 (ttpt) cc_final: 0.8944 (tttt) REVERT: m 216 MET cc_start: 0.9306 (mtp) cc_final: 0.8948 (mtp) REVERT: m 250 MET cc_start: 0.8284 (mtp) cc_final: 0.7775 (ptm) REVERT: m 272 ILE cc_start: 0.8148 (mt) cc_final: 0.7878 (mt) REVERT: m 284 MET cc_start: 0.8111 (mtm) cc_final: 0.7721 (mtt) REVERT: m 293 ILE cc_start: 0.9013 (mm) cc_final: 0.8747 (mm) REVERT: m 297 GLU cc_start: 0.9342 (mt-10) cc_final: 0.9075 (mt-10) REVERT: m 309 TRP cc_start: 0.9227 (m100) cc_final: 0.8722 (m100) REVERT: m 356 GLN cc_start: 0.9571 (mm110) cc_final: 0.9371 (mm110) REVERT: m 372 GLU cc_start: 0.8519 (tt0) cc_final: 0.8188 (tt0) REVERT: m 390 ASP cc_start: 0.9150 (t0) cc_final: 0.8794 (t0) REVERT: m 400 LEU cc_start: 0.9134 (mt) cc_final: 0.8654 (mt) REVERT: m 427 GLN cc_start: 0.8543 (pt0) cc_final: 0.8029 (pt0) REVERT: m 432 ASP cc_start: 0.6903 (t0) cc_final: 0.6685 (t0) REVERT: m 439 LYS cc_start: 0.9218 (tmmt) cc_final: 0.8704 (ttpt) REVERT: m 449 TYR cc_start: 0.8529 (m-80) cc_final: 0.7840 (m-80) REVERT: m 463 ASP cc_start: 0.8978 (t0) cc_final: 0.8743 (t0) REVERT: m 468 GLN cc_start: 0.8917 (mm-40) cc_final: 0.8632 (mm-40) REVERT: m 473 PHE cc_start: 0.8981 (m-80) cc_final: 0.8331 (m-80) REVERT: m 481 ILE cc_start: 0.9522 (mp) cc_final: 0.9317 (mp) REVERT: m 482 ASN cc_start: 0.9445 (t0) cc_final: 0.8639 (t0) REVERT: m 484 PHE cc_start: 0.8478 (m-80) cc_final: 0.8184 (m-10) REVERT: n 117 MET cc_start: 0.8059 (mtm) cc_final: 0.7794 (mtm) REVERT: n 145 HIS cc_start: 0.7904 (t-90) cc_final: 0.7535 (t-90) REVERT: n 147 MET cc_start: 0.7938 (tpp) cc_final: 0.7670 (mmt) REVERT: n 153 MET cc_start: 0.8854 (mpp) cc_final: 0.8346 (mpp) REVERT: n 154 PHE cc_start: 0.8731 (t80) cc_final: 0.8363 (t80) REVERT: n 163 PHE cc_start: 0.8786 (m-80) cc_final: 0.8556 (m-80) REVERT: n 166 LEU cc_start: 0.9224 (mt) cc_final: 0.8990 (mt) REVERT: n 172 THR cc_start: 0.9462 (p) cc_final: 0.8063 (t) REVERT: n 191 GLN cc_start: 0.8656 (tt0) cc_final: 0.8394 (tt0) REVERT: n 211 GLU cc_start: 0.8820 (mm-30) cc_final: 0.8395 (mm-30) REVERT: n 226 GLU cc_start: 0.8355 (tt0) cc_final: 0.8098 (tt0) REVERT: n 253 ARG cc_start: 0.8424 (ptm-80) cc_final: 0.7423 (ptt90) REVERT: n 262 LYS cc_start: 0.7624 (mttt) cc_final: 0.7223 (mttt) REVERT: n 273 GLU cc_start: 0.9244 (mp0) cc_final: 0.9009 (pm20) REVERT: n 333 ASP cc_start: 0.8512 (t0) cc_final: 0.7879 (t0) REVERT: n 336 ASP cc_start: 0.8944 (t0) cc_final: 0.8546 (t0) REVERT: n 345 TRP cc_start: 0.9021 (t-100) cc_final: 0.8474 (t-100) REVERT: n 359 LYS cc_start: 0.9709 (tttp) cc_final: 0.9297 (tttp) REVERT: n 360 GLU cc_start: 0.9571 (mm-30) cc_final: 0.9059 (mm-30) REVERT: n 385 VAL cc_start: 0.9912 (t) cc_final: 0.9665 (p) REVERT: n 395 TYR cc_start: 0.6547 (t80) cc_final: 0.6326 (t80) REVERT: n 398 GLN cc_start: 0.9337 (tm-30) cc_final: 0.8813 (tm-30) REVERT: n 406 THR cc_start: 0.8984 (p) cc_final: 0.8650 (t) REVERT: n 417 LEU cc_start: 0.9369 (tp) cc_final: 0.9160 (tp) REVERT: n 426 ASP cc_start: 0.8960 (t0) cc_final: 0.8673 (t0) REVERT: n 434 PHE cc_start: 0.9328 (p90) cc_final: 0.9054 (p90) REVERT: n 439 LYS cc_start: 0.9475 (ptmt) cc_final: 0.9030 (ttpt) REVERT: n 442 ASN cc_start: 0.9218 (t0) cc_final: 0.8255 (t0) REVERT: n 453 TYR cc_start: 0.8623 (t80) cc_final: 0.8220 (t80) REVERT: n 481 ILE cc_start: 0.8911 (pt) cc_final: 0.8704 (pt) REVERT: n 482 ASN cc_start: 0.9252 (t0) cc_final: 0.8993 (t0) REVERT: n 505 ASN cc_start: 0.8899 (t0) cc_final: 0.8462 (t0) REVERT: n 513 PHE cc_start: 0.9250 (m-80) cc_final: 0.8701 (m-80) REVERT: o 98 MET cc_start: 0.8255 (ttp) cc_final: 0.7990 (ttp) REVERT: o 106 LEU cc_start: 0.8815 (mt) cc_final: 0.8578 (mt) REVERT: o 147 MET cc_start: 0.8776 (tpt) cc_final: 0.8128 (tpt) REVERT: o 153 MET cc_start: 0.7567 (mmm) cc_final: 0.6990 (mmm) REVERT: o 154 PHE cc_start: 0.8723 (t80) cc_final: 0.7397 (t80) REVERT: o 184 GLU cc_start: 0.8775 (tp30) cc_final: 0.8332 (tp30) REVERT: o 198 ILE cc_start: 0.9621 (tp) cc_final: 0.8924 (tp) REVERT: o 211 GLU cc_start: 0.9324 (tp30) cc_final: 0.9050 (tm-30) REVERT: o 212 ILE cc_start: 0.9640 (mt) cc_final: 0.9408 (mt) REVERT: o 216 MET cc_start: 0.9630 (mtp) cc_final: 0.9427 (mtp) REVERT: o 226 GLU cc_start: 0.8577 (pt0) cc_final: 0.8286 (pt0) REVERT: o 250 MET cc_start: 0.8236 (mtm) cc_final: 0.7340 (mpp) REVERT: o 259 ILE cc_start: 0.6592 (tp) cc_final: 0.4746 (tp) REVERT: o 322 THR cc_start: 0.9077 (p) cc_final: 0.8456 (p) REVERT: o 334 PHE cc_start: 0.9190 (m-80) cc_final: 0.8560 (m-80) REVERT: o 336 ASP cc_start: 0.8655 (t0) cc_final: 0.8320 (t0) REVERT: o 348 GLU cc_start: 0.9130 (mt-10) cc_final: 0.8919 (mt-10) REVERT: o 350 PHE cc_start: 0.8162 (p90) cc_final: 0.7525 (p90) REVERT: o 351 LYS cc_start: 0.9294 (mttm) cc_final: 0.8730 (mttm) REVERT: o 372 GLU cc_start: 0.9222 (pm20) cc_final: 0.8908 (pt0) REVERT: o 400 LEU cc_start: 0.8908 (mt) cc_final: 0.8335 (mt) REVERT: o 404 PHE cc_start: 0.7315 (m-80) cc_final: 0.6844 (m-80) REVERT: o 428 TYR cc_start: 0.9619 (m-80) cc_final: 0.8280 (m-10) REVERT: o 434 PHE cc_start: 0.9438 (p90) cc_final: 0.9187 (p90) REVERT: o 453 TYR cc_start: 0.8583 (t80) cc_final: 0.8332 (t80) REVERT: o 456 LEU cc_start: 0.8670 (mp) cc_final: 0.8464 (mp) REVERT: o 471 MET cc_start: 0.7384 (tmm) cc_final: 0.7056 (mmt) REVERT: o 473 PHE cc_start: 0.8424 (p90) cc_final: 0.7245 (p90) REVERT: o 482 ASN cc_start: 0.7325 (t0) cc_final: 0.5840 (t0) REVERT: o 510 ASN cc_start: 0.9235 (t0) cc_final: 0.8449 (t0) REVERT: o 513 PHE cc_start: 0.9345 (m-80) cc_final: 0.8784 (m-80) REVERT: p 74 TYR cc_start: 0.7843 (m-80) cc_final: 0.7335 (m-10) REVERT: p 96 MET cc_start: 0.8238 (mtm) cc_final: 0.8022 (mtm) REVERT: p 99 VAL cc_start: 0.9566 (t) cc_final: 0.9263 (p) REVERT: p 101 ARG cc_start: 0.8442 (mmm-85) cc_final: 0.7733 (tpp80) REVERT: p 105 ASN cc_start: 0.7687 (t0) cc_final: 0.7385 (t0) REVERT: p 117 MET cc_start: 0.8689 (mmp) cc_final: 0.8480 (mmm) REVERT: p 118 ASN cc_start: 0.9465 (p0) cc_final: 0.9189 (p0) REVERT: p 153 MET cc_start: 0.9456 (mtp) cc_final: 0.9026 (mmm) REVERT: p 157 GLN cc_start: 0.9037 (tp40) cc_final: 0.8542 (tp-100) REVERT: p 161 LYS cc_start: 0.9219 (pttt) cc_final: 0.8933 (pttp) REVERT: p 176 ASP cc_start: 0.8671 (t0) cc_final: 0.8426 (t70) REVERT: p 190 LEU cc_start: 0.8620 (mm) cc_final: 0.8313 (mm) REVERT: p 199 ASP cc_start: 0.6544 (t0) cc_final: 0.6155 (t0) REVERT: p 270 TYR cc_start: 0.8269 (p90) cc_final: 0.7728 (p90) REVERT: p 276 GLN cc_start: 0.9207 (mt0) cc_final: 0.8705 (mt0) REVERT: p 278 LEU cc_start: 0.9597 (tp) cc_final: 0.9323 (tp) REVERT: p 284 MET cc_start: 0.7241 (mpp) cc_final: 0.6275 (mpp) REVERT: p 289 GLU cc_start: 0.9192 (mm-30) cc_final: 0.8873 (mp0) REVERT: p 290 LEU cc_start: 0.9736 (mt) cc_final: 0.9479 (mt) REVERT: p 321 MET cc_start: 0.8879 (mmm) cc_final: 0.8330 (mmm) REVERT: p 363 GLU cc_start: 0.9255 (tp30) cc_final: 0.8903 (tp30) REVERT: p 391 THR cc_start: 0.9214 (p) cc_final: 0.8569 (t) REVERT: p 412 VAL cc_start: 0.9552 (m) cc_final: 0.9003 (m) REVERT: p 444 MET cc_start: 0.9003 (mmp) cc_final: 0.7903 (mmt) REVERT: p 459 LEU cc_start: 0.8391 (mt) cc_final: 0.8024 (mt) REVERT: p 483 PRO cc_start: 0.9331 (Cg_exo) cc_final: 0.8822 (Cg_endo) REVERT: p 484 PHE cc_start: 0.8305 (m-10) cc_final: 0.8024 (m-10) REVERT: p 513 PHE cc_start: 0.9347 (m-10) cc_final: 0.9094 (m-10) REVERT: q 112 CYS cc_start: 0.8949 (p) cc_final: 0.8100 (p) REVERT: q 115 GLN cc_start: 0.9336 (mm110) cc_final: 0.9098 (mt0) REVERT: q 123 GLN cc_start: 0.9191 (pt0) cc_final: 0.8445 (pt0) REVERT: q 147 MET cc_start: 0.8852 (mmp) cc_final: 0.8198 (mmp) REVERT: q 153 MET cc_start: 0.8638 (mtp) cc_final: 0.7863 (ttm) REVERT: q 174 VAL cc_start: 0.9236 (t) cc_final: 0.8485 (t) REVERT: q 176 ASP cc_start: 0.8897 (t0) cc_final: 0.8319 (t0) REVERT: q 178 TYR cc_start: 0.8148 (m-80) cc_final: 0.7566 (m-10) REVERT: q 195 GLN cc_start: 0.8877 (tt0) cc_final: 0.8281 (mm-40) REVERT: q 213 LYS cc_start: 0.8813 (mtmt) cc_final: 0.8589 (mtpp) REVERT: q 217 GLU cc_start: 0.9338 (pp20) cc_final: 0.8925 (pp20) REVERT: q 249 GLU cc_start: 0.8868 (pm20) cc_final: 0.8574 (pm20) REVERT: q 250 MET cc_start: 0.8509 (mtm) cc_final: 0.8040 (mpp) REVERT: q 256 LYS cc_start: 0.8922 (ptmt) cc_final: 0.8633 (ptmt) REVERT: q 265 GLN cc_start: 0.9549 (pm20) cc_final: 0.8863 (pm20) REVERT: q 282 HIS cc_start: 0.9116 (t-90) cc_final: 0.8818 (t-90) REVERT: q 363 GLU cc_start: 0.9410 (tp30) cc_final: 0.8677 (tp30) REVERT: q 426 ASP cc_start: 0.8655 (t0) cc_final: 0.8356 (t0) REVERT: q 430 LYS cc_start: 0.9234 (mmtm) cc_final: 0.8978 (mmmt) REVERT: q 434 PHE cc_start: 0.9542 (p90) cc_final: 0.9143 (p90) REVERT: q 445 ASP cc_start: 0.9378 (t0) cc_final: 0.9128 (t0) REVERT: q 453 TYR cc_start: 0.8583 (t80) cc_final: 0.8233 (t80) REVERT: q 484 PHE cc_start: 0.8679 (m-80) cc_final: 0.8296 (m-80) REVERT: q 513 PHE cc_start: 0.9452 (m-10) cc_final: 0.9239 (m-10) REVERT: q 515 ARG cc_start: 0.8375 (ptt180) cc_final: 0.8046 (ttp-170) REVERT: r 107 ILE cc_start: 0.8327 (pt) cc_final: 0.7824 (mp) REVERT: r 134 ASP cc_start: 0.8981 (t0) cc_final: 0.8581 (t0) REVERT: r 145 HIS cc_start: 0.9329 (t-90) cc_final: 0.9071 (t-90) REVERT: r 151 ASP cc_start: 0.9229 (t0) cc_final: 0.8649 (t0) REVERT: r 176 ASP cc_start: 0.9098 (m-30) cc_final: 0.8604 (m-30) REVERT: r 185 THR cc_start: 0.8692 (p) cc_final: 0.7971 (p) REVERT: r 189 TYR cc_start: 0.8806 (m-80) cc_final: 0.7910 (m-80) REVERT: r 194 VAL cc_start: 0.9186 (t) cc_final: 0.8828 (m) REVERT: r 213 LYS cc_start: 0.8710 (mtpt) cc_final: 0.8402 (mtpt) REVERT: r 214 LYS cc_start: 0.9449 (mttt) cc_final: 0.9233 (mtpp) REVERT: r 216 MET cc_start: 0.8975 (mtp) cc_final: 0.8417 (mtp) REVERT: r 255 ASP cc_start: 0.8186 (m-30) cc_final: 0.7964 (m-30) REVERT: r 266 LEU cc_start: 0.9554 (mt) cc_final: 0.9284 (mt) REVERT: r 274 LEU cc_start: 0.9544 (tp) cc_final: 0.9186 (tp) REVERT: r 293 ILE cc_start: 0.9555 (mt) cc_final: 0.9232 (mt) REVERT: r 297 GLU cc_start: 0.9091 (mm-30) cc_final: 0.8390 (mm-30) REVERT: r 300 LEU cc_start: 0.9423 (mt) cc_final: 0.9151 (mt) REVERT: r 321 MET cc_start: 0.9493 (mtm) cc_final: 0.9239 (mtm) REVERT: r 350 PHE cc_start: 0.9548 (m-10) cc_final: 0.9217 (m-80) REVERT: r 356 GLN cc_start: 0.9473 (tp40) cc_final: 0.9054 (tp-100) REVERT: r 372 GLU cc_start: 0.9092 (pm20) cc_final: 0.8482 (pm20) REVERT: r 404 PHE cc_start: 0.9021 (m-80) cc_final: 0.8794 (m-80) REVERT: r 407 ASP cc_start: 0.9212 (t70) cc_final: 0.8209 (t70) REVERT: r 410 LYS cc_start: 0.9317 (mptt) cc_final: 0.9054 (mptt) REVERT: r 413 PHE cc_start: 0.8041 (t80) cc_final: 0.7688 (t80) REVERT: r 420 LYS cc_start: 0.9201 (ttmm) cc_final: 0.8668 (ttmm) REVERT: r 442 ASN cc_start: 0.8494 (t0) cc_final: 0.8278 (t0) REVERT: r 497 GLN cc_start: 0.8272 (pt0) cc_final: 0.7824 (pt0) REVERT: r 503 ILE cc_start: 0.9166 (mp) cc_final: 0.8858 (mp) REVERT: r 515 ARG cc_start: 0.8493 (ttp80) cc_final: 0.8057 (ttp80) REVERT: s 74 TYR cc_start: 0.7680 (m-80) cc_final: 0.6643 (m-80) REVERT: s 75 ASN cc_start: 0.8983 (t0) cc_final: 0.8747 (t0) REVERT: s 90 GLN cc_start: 0.9286 (mm-40) cc_final: 0.8751 (mp10) REVERT: s 125 PHE cc_start: 0.8407 (m-80) cc_final: 0.7002 (m-80) REVERT: s 130 VAL cc_start: 0.9461 (t) cc_final: 0.9258 (t) REVERT: s 134 ASP cc_start: 0.9047 (t0) cc_final: 0.8694 (t0) REVERT: s 145 HIS cc_start: 0.8982 (t-90) cc_final: 0.7784 (t-90) REVERT: s 147 MET cc_start: 0.9309 (ttt) cc_final: 0.8732 (mmm) REVERT: s 151 ASP cc_start: 0.8519 (t0) cc_final: 0.8109 (t0) REVERT: s 153 MET cc_start: 0.9758 (mmt) cc_final: 0.9497 (mmm) REVERT: s 157 GLN cc_start: 0.8905 (tp-100) cc_final: 0.8601 (tp40) REVERT: s 172 THR cc_start: 0.8934 (p) cc_final: 0.8439 (p) REVERT: s 178 TYR cc_start: 0.8771 (m-80) cc_final: 0.7392 (m-80) REVERT: s 189 TYR cc_start: 0.8577 (m-80) cc_final: 0.7879 (m-80) REVERT: s 190 LEU cc_start: 0.8896 (mt) cc_final: 0.8642 (mt) REVERT: s 204 ASP cc_start: 0.8997 (t0) cc_final: 0.8640 (t70) REVERT: s 207 LYS cc_start: 0.9374 (mptt) cc_final: 0.9090 (mmtt) REVERT: s 212 ILE cc_start: 0.9778 (mt) cc_final: 0.9450 (mt) REVERT: s 216 MET cc_start: 0.9584 (mtt) cc_final: 0.9356 (mtt) REVERT: s 294 LEU cc_start: 0.9697 (mt) cc_final: 0.9497 (mt) REVERT: s 299 MET cc_start: 0.9039 (mtm) cc_final: 0.8553 (ptp) REVERT: s 309 TRP cc_start: 0.8818 (m100) cc_final: 0.8580 (m100) REVERT: s 311 ASN cc_start: 0.9539 (m-40) cc_final: 0.8600 (t0) REVERT: s 322 THR cc_start: 0.8945 (p) cc_final: 0.8592 (p) REVERT: s 333 ASP cc_start: 0.8747 (t0) cc_final: 0.8411 (t0) REVERT: s 336 ASP cc_start: 0.8617 (t0) cc_final: 0.8390 (t0) REVERT: s 350 PHE cc_start: 0.9463 (m-80) cc_final: 0.9125 (m-10) REVERT: s 367 GLN cc_start: 0.9234 (mt0) cc_final: 0.7768 (mp10) REVERT: s 395 TYR cc_start: 0.6256 (m-80) cc_final: 0.6008 (m-80) REVERT: s 404 PHE cc_start: 0.8367 (m-80) cc_final: 0.6949 (m-80) REVERT: s 407 ASP cc_start: 0.7744 (t70) cc_final: 0.6360 (t70) REVERT: s 410 LYS cc_start: 0.8984 (mttt) cc_final: 0.8779 (mptt) REVERT: s 413 PHE cc_start: 0.9051 (t80) cc_final: 0.8263 (t80) REVERT: s 434 PHE cc_start: 0.9203 (p90) cc_final: 0.8513 (p90) REVERT: s 448 ILE cc_start: 0.9221 (mp) cc_final: 0.9020 (mp) REVERT: s 481 ILE cc_start: 0.9070 (mm) cc_final: 0.8600 (mm) REVERT: s 482 ASN cc_start: 0.8418 (t0) cc_final: 0.7538 (t0) REVERT: s 500 MET cc_start: 0.9076 (ttm) cc_final: 0.8548 (mmm) REVERT: s 505 ASN cc_start: 0.8919 (t0) cc_final: 0.8688 (t0) REVERT: s 513 PHE cc_start: 0.8900 (m-10) cc_final: 0.8660 (m-10) REVERT: s 514 ARG cc_start: 0.8541 (mtp85) cc_final: 0.7466 (tpp80) REVERT: s 515 ARG cc_start: 0.8588 (ptm160) cc_final: 0.7862 (ttp-170) REVERT: t 110 ASP cc_start: 0.7861 (m-30) cc_final: 0.7473 (t0) REVERT: t 144 PHE cc_start: 0.8108 (m-10) cc_final: 0.7785 (m-10) REVERT: t 147 MET cc_start: 0.8858 (mmt) cc_final: 0.8121 (mmt) REVERT: t 166 LEU cc_start: 0.9386 (mt) cc_final: 0.9084 (mt) REVERT: t 176 ASP cc_start: 0.8739 (m-30) cc_final: 0.8306 (m-30) REVERT: t 199 ASP cc_start: 0.9051 (t0) cc_final: 0.8844 (t0) REVERT: t 223 GLU cc_start: 0.8870 (tt0) cc_final: 0.8268 (tt0) REVERT: t 228 MET cc_start: 0.9055 (ptt) cc_final: 0.8435 (ptt) REVERT: t 247 TRP cc_start: 0.8499 (m100) cc_final: 0.7872 (m100) REVERT: t 260 GLU cc_start: 0.8256 (tt0) cc_final: 0.7371 (tt0) REVERT: t 264 ARG cc_start: 0.6869 (mtm180) cc_final: 0.6619 (mtm180) REVERT: t 272 ILE cc_start: 0.8856 (mt) cc_final: 0.8649 (mp) REVERT: t 301 GLU cc_start: 0.9379 (mt-10) cc_final: 0.9126 (mt-10) REVERT: t 305 GLU cc_start: 0.9067 (mt-10) cc_final: 0.8839 (mt-10) REVERT: t 308 ASP cc_start: 0.8810 (m-30) cc_final: 0.8494 (m-30) REVERT: t 309 TRP cc_start: 0.8838 (m100) cc_final: 0.7741 (m100) REVERT: t 311 ASN cc_start: 0.9661 (m-40) cc_final: 0.9401 (m-40) REVERT: t 318 LYS cc_start: 0.9285 (mtpp) cc_final: 0.8724 (mtpp) REVERT: t 334 PHE cc_start: 0.8825 (m-80) cc_final: 0.8045 (m-80) REVERT: t 350 PHE cc_start: 0.9595 (m-10) cc_final: 0.8690 (m-10) REVERT: t 356 GLN cc_start: 0.9272 (tp40) cc_final: 0.7780 (tp40) REVERT: t 359 LYS cc_start: 0.9671 (tttp) cc_final: 0.9363 (tttp) REVERT: t 360 GLU cc_start: 0.9503 (mt-10) cc_final: 0.8855 (mt-10) REVERT: t 363 GLU cc_start: 0.9146 (tp30) cc_final: 0.8841 (tp30) REVERT: t 364 ILE cc_start: 0.9675 (mt) cc_final: 0.9438 (mt) REVERT: t 381 ASN cc_start: 0.9034 (m-40) cc_final: 0.8627 (p0) REVERT: t 385 VAL cc_start: 0.9722 (t) cc_final: 0.9377 (p) REVERT: t 400 LEU cc_start: 0.9429 (mt) cc_final: 0.9138 (mt) REVERT: t 413 PHE cc_start: 0.8798 (t80) cc_final: 0.8341 (t80) REVERT: t 432 ASP cc_start: 0.5761 (t0) cc_final: 0.2267 (t0) REVERT: t 453 TYR cc_start: 0.6885 (t80) cc_final: 0.6503 (t80) REVERT: t 481 ILE cc_start: 0.9091 (OUTLIER) cc_final: 0.8637 (mp) REVERT: t 484 PHE cc_start: 0.7286 (m-80) cc_final: 0.6708 (m-80) REVERT: u 71 ASP cc_start: 0.7688 (t0) cc_final: 0.7077 (t0) REVERT: u 105 ASN cc_start: 0.8411 (m-40) cc_final: 0.7798 (t0) REVERT: u 147 MET cc_start: 0.8830 (mtm) cc_final: 0.8066 (mtm) REVERT: u 148 TYR cc_start: 0.8706 (m-80) cc_final: 0.7718 (m-80) REVERT: u 157 GLN cc_start: 0.8504 (tm-30) cc_final: 0.7943 (tm-30) REVERT: u 166 LEU cc_start: 0.8722 (mp) cc_final: 0.8501 (mp) REVERT: u 188 VAL cc_start: 0.8943 (p) cc_final: 0.8482 (p) REVERT: u 204 ASP cc_start: 0.8847 (t0) cc_final: 0.8637 (t0) REVERT: u 211 GLU cc_start: 0.9359 (tm-30) cc_final: 0.9027 (tm-30) REVERT: u 216 MET cc_start: 0.9479 (tmm) cc_final: 0.9103 (tpp) REVERT: u 221 LEU cc_start: 0.9644 (mt) cc_final: 0.9319 (mt) REVERT: u 228 MET cc_start: 0.9109 (tpp) cc_final: 0.8609 (tpp) REVERT: u 240 ASN cc_start: 0.8285 (m110) cc_final: 0.8069 (m110) REVERT: u 294 LEU cc_start: 0.9448 (pp) cc_final: 0.9070 (mp) REVERT: u 309 TRP cc_start: 0.9141 (m100) cc_final: 0.7759 (m100) REVERT: u 311 ASN cc_start: 0.9409 (m-40) cc_final: 0.8797 (m-40) REVERT: u 318 LYS cc_start: 0.9176 (mmmt) cc_final: 0.8939 (mmmt) REVERT: u 351 LYS cc_start: 0.9436 (mmmt) cc_final: 0.9187 (mttt) REVERT: u 356 GLN cc_start: 0.9379 (tp40) cc_final: 0.8967 (tp-100) REVERT: u 367 GLN cc_start: 0.8937 (mt0) cc_final: 0.8393 (mm110) REVERT: u 391 THR cc_start: 0.8580 (p) cc_final: 0.8296 (p) REVERT: u 404 PHE cc_start: 0.7877 (m-80) cc_final: 0.7227 (m-80) REVERT: u 417 LEU cc_start: 0.9838 (tp) cc_final: 0.9623 (tp) REVERT: u 428 TYR cc_start: 0.9031 (m-10) cc_final: 0.8753 (m-10) REVERT: u 430 LYS cc_start: 0.9485 (mppt) cc_final: 0.9243 (mmtm) REVERT: u 433 TYR cc_start: 0.8011 (p90) cc_final: 0.7416 (p90) REVERT: u 459 LEU cc_start: 0.4938 (tp) cc_final: 0.4519 (tp) REVERT: u 460 ARG cc_start: 0.6804 (mmt-90) cc_final: 0.6582 (mmt-90) REVERT: u 504 LEU cc_start: 0.9437 (mm) cc_final: 0.9234 (tt) REVERT: u 510 ASN cc_start: 0.9412 (t0) cc_final: 0.8387 (p0) REVERT: u 515 ARG cc_start: 0.7493 (ttt180) cc_final: 0.5790 (ttt180) REVERT: v 90 GLN cc_start: 0.9046 (mm-40) cc_final: 0.8616 (mm-40) REVERT: v 105 ASN cc_start: 0.7811 (m-40) cc_final: 0.7323 (m110) REVERT: v 106 LEU cc_start: 0.9303 (mp) cc_final: 0.9074 (tp) REVERT: v 142 GLU cc_start: 0.8608 (tt0) cc_final: 0.8389 (tt0) REVERT: v 145 HIS cc_start: 0.8606 (t-90) cc_final: 0.7551 (t-90) REVERT: v 157 GLN cc_start: 0.9451 (tp-100) cc_final: 0.8929 (tp-100) REVERT: v 166 LEU cc_start: 0.9291 (tp) cc_final: 0.8988 (tp) REVERT: v 180 HIS cc_start: 0.8662 (t-90) cc_final: 0.7430 (t70) REVERT: v 217 GLU cc_start: 0.9299 (tm-30) cc_final: 0.8790 (mm-30) REVERT: v 228 MET cc_start: 0.7809 (ttp) cc_final: 0.7496 (ttp) REVERT: v 259 ILE cc_start: 0.9074 (tt) cc_final: 0.8807 (mp) REVERT: v 284 MET cc_start: 0.7998 (mmm) cc_final: 0.7411 (mmm) REVERT: v 294 LEU cc_start: 0.9653 (mt) cc_final: 0.9321 (mt) REVERT: v 312 TYR cc_start: 0.8823 (t80) cc_final: 0.8488 (t80) REVERT: v 345 TRP cc_start: 0.7820 (m100) cc_final: 0.6701 (m100) REVERT: v 359 LYS cc_start: 0.9603 (mtmt) cc_final: 0.9079 (mtmt) REVERT: v 377 ILE cc_start: 0.9161 (mm) cc_final: 0.8824 (tp) REVERT: v 404 PHE cc_start: 0.9206 (m-80) cc_final: 0.8356 (m-80) REVERT: v 412 VAL cc_start: 0.9677 (m) cc_final: 0.9352 (p) REVERT: v 449 TYR cc_start: 0.7618 (m-80) cc_final: 0.7145 (m-80) REVERT: v 471 MET cc_start: 0.8465 (ttt) cc_final: 0.7984 (ttt) REVERT: v 481 ILE cc_start: 0.9581 (pt) cc_final: 0.9235 (pt) REVERT: v 482 ASN cc_start: 0.9532 (t0) cc_final: 0.9068 (t0) REVERT: v 497 GLN cc_start: 0.8874 (mt0) cc_final: 0.8465 (mm110) REVERT: v 517 TYR cc_start: 0.8941 (m-80) cc_final: 0.8541 (m-80) REVERT: v 518 VAL cc_start: 0.9088 (m) cc_final: 0.8655 (m) REVERT: w 96 MET cc_start: 0.8000 (ppp) cc_final: 0.7563 (ptt) REVERT: w 128 ARG cc_start: 0.9103 (mtt-85) cc_final: 0.8744 (mmt180) REVERT: w 130 VAL cc_start: 0.9534 (m) cc_final: 0.8600 (p) REVERT: w 147 MET cc_start: 0.8162 (mtt) cc_final: 0.7788 (mtt) REVERT: w 176 ASP cc_start: 0.9077 (t0) cc_final: 0.8597 (m-30) REVERT: w 177 ILE cc_start: 0.9467 (mm) cc_final: 0.9052 (mm) REVERT: w 178 TYR cc_start: 0.8747 (m-80) cc_final: 0.8057 (m-80) REVERT: w 209 ASP cc_start: 0.9556 (p0) cc_final: 0.9286 (p0) REVERT: w 256 LYS cc_start: 0.9443 (pttt) cc_final: 0.8390 (ptpt) REVERT: w 294 LEU cc_start: 0.9361 (tp) cc_final: 0.9032 (tp) REVERT: w 309 TRP cc_start: 0.9206 (m100) cc_final: 0.8192 (m100) REVERT: w 311 ASN cc_start: 0.9761 (m-40) cc_final: 0.9466 (m-40) REVERT: w 312 TYR cc_start: 0.9235 (t80) cc_final: 0.8991 (t80) REVERT: w 318 LYS cc_start: 0.9291 (mmmm) cc_final: 0.9065 (tppt) REVERT: w 356 GLN cc_start: 0.9615 (tp40) cc_final: 0.9183 (tp-100) REVERT: w 363 GLU cc_start: 0.9092 (tp30) cc_final: 0.7967 (tp30) REVERT: w 384 ASN cc_start: 0.9511 (m-40) cc_final: 0.9301 (m-40) REVERT: w 404 PHE cc_start: 0.9077 (m-80) cc_final: 0.8002 (m-10) REVERT: w 410 LYS cc_start: 0.9285 (mmtt) cc_final: 0.9062 (mmtt) REVERT: w 417 LEU cc_start: 0.9183 (tp) cc_final: 0.8981 (tp) REVERT: w 420 LYS cc_start: 0.9305 (tttp) cc_final: 0.8945 (tptp) REVERT: w 423 VAL cc_start: 0.9192 (t) cc_final: 0.8553 (t) REVERT: w 460 ARG cc_start: 0.8976 (pmt-80) cc_final: 0.8624 (ttp80) REVERT: w 481 ILE cc_start: 0.9275 (pt) cc_final: 0.8606 (pt) REVERT: w 497 GLN cc_start: 0.9222 (mm-40) cc_final: 0.8752 (mm110) REVERT: x 90 GLN cc_start: 0.9131 (mm-40) cc_final: 0.8654 (mm110) REVERT: x 96 MET cc_start: 0.9130 (mmp) cc_final: 0.8761 (mmm) REVERT: x 105 ASN cc_start: 0.7990 (m110) cc_final: 0.7690 (m110) REVERT: x 117 MET cc_start: 0.8501 (mtp) cc_final: 0.6490 (mtp) REVERT: x 131 TYR cc_start: 0.7613 (p90) cc_final: 0.7145 (p90) REVERT: x 145 HIS cc_start: 0.8683 (t-90) cc_final: 0.8089 (t-90) REVERT: x 147 MET cc_start: 0.8711 (mmm) cc_final: 0.8072 (mmm) REVERT: x 148 TYR cc_start: 0.8372 (m-80) cc_final: 0.8019 (m-80) REVERT: x 151 ASP cc_start: 0.7671 (t0) cc_final: 0.7333 (t0) REVERT: x 178 TYR cc_start: 0.8526 (m-80) cc_final: 0.7894 (m-80) REVERT: x 182 PHE cc_start: 0.8760 (m-80) cc_final: 0.7902 (m-10) REVERT: x 199 ASP cc_start: 0.7460 (t0) cc_final: 0.6954 (t0) REVERT: x 204 ASP cc_start: 0.9520 (t0) cc_final: 0.9318 (t70) REVERT: x 207 LYS cc_start: 0.8605 (mttt) cc_final: 0.8368 (mmmt) REVERT: x 212 ILE cc_start: 0.9784 (mt) cc_final: 0.9534 (mt) REVERT: x 213 LYS cc_start: 0.9625 (mttt) cc_final: 0.9203 (mttt) REVERT: x 223 GLU cc_start: 0.8665 (tp30) cc_final: 0.7660 (tp30) REVERT: x 228 MET cc_start: 0.9023 (mtp) cc_final: 0.8509 (mtp) REVERT: x 249 GLU cc_start: 0.8742 (mt-10) cc_final: 0.8313 (mt-10) REVERT: x 262 LYS cc_start: 0.9183 (mttt) cc_final: 0.8823 (mtpp) REVERT: x 266 LEU cc_start: 0.9445 (mt) cc_final: 0.9245 (mt) REVERT: x 276 GLN cc_start: 0.9291 (mt0) cc_final: 0.9011 (mt0) REVERT: x 303 ASN cc_start: 0.9032 (t0) cc_final: 0.8826 (t0) REVERT: x 311 ASN cc_start: 0.9647 (m110) cc_final: 0.9037 (t0) REVERT: x 318 LYS cc_start: 0.9414 (ttmt) cc_final: 0.8983 (ttmm) REVERT: x 360 GLU cc_start: 0.9685 (mm-30) cc_final: 0.9281 (mm-30) REVERT: x 366 ARG cc_start: 0.9470 (ttt-90) cc_final: 0.9038 (ttp80) REVERT: x 410 LYS cc_start: 0.9452 (mmmm) cc_final: 0.9108 (mmmt) REVERT: x 424 TYR cc_start: 0.8759 (m-10) cc_final: 0.8319 (m-80) REVERT: x 428 TYR cc_start: 0.9187 (m-80) cc_final: 0.8760 (m-80) REVERT: x 438 TYR cc_start: 0.9054 (t80) cc_final: 0.8828 (t80) REVERT: x 442 ASN cc_start: 0.8442 (t0) cc_final: 0.8106 (t0) REVERT: x 463 ASP cc_start: 0.8287 (t0) cc_final: 0.7782 (t0) REVERT: x 476 ARG cc_start: 0.7367 (ttm170) cc_final: 0.6607 (ttm170) REVERT: x 482 ASN cc_start: 0.9327 (t0) cc_final: 0.9007 (t0) REVERT: x 500 MET cc_start: 0.7441 (mtm) cc_final: 0.6896 (mpp) REVERT: x 504 LEU cc_start: 0.9714 (mm) cc_final: 0.9509 (mp) REVERT: x 509 LYS cc_start: 0.8611 (mttm) cc_final: 0.8340 (mttp) REVERT: y 75 ASN cc_start: 0.8289 (t0) cc_final: 0.7972 (t0) REVERT: y 96 MET cc_start: 0.7896 (mtm) cc_final: 0.6154 (mtp) REVERT: y 105 ASN cc_start: 0.8523 (t0) cc_final: 0.8049 (t0) REVERT: y 118 ASN cc_start: 0.8977 (p0) cc_final: 0.8694 (p0) REVERT: y 123 GLN cc_start: 0.9269 (pt0) cc_final: 0.8853 (pt0) REVERT: y 134 ASP cc_start: 0.9248 (t0) cc_final: 0.8968 (t0) REVERT: y 145 HIS cc_start: 0.9014 (t-90) cc_final: 0.8767 (t-90) REVERT: y 147 MET cc_start: 0.8564 (mtt) cc_final: 0.7960 (mtt) REVERT: y 154 PHE cc_start: 0.8841 (t80) cc_final: 0.8111 (t80) REVERT: y 180 HIS cc_start: 0.8605 (t70) cc_final: 0.8232 (t70) REVERT: y 199 ASP cc_start: 0.8496 (t0) cc_final: 0.8268 (t0) REVERT: y 216 MET cc_start: 0.9388 (mtm) cc_final: 0.9176 (ptp) REVERT: y 228 MET cc_start: 0.8273 (tpt) cc_final: 0.7966 (mmm) REVERT: y 252 PHE cc_start: 0.9504 (p90) cc_final: 0.8549 (p90) REVERT: y 256 LYS cc_start: 0.7478 (ptmt) cc_final: 0.7264 (ttmt) REVERT: y 262 LYS cc_start: 0.9406 (mttt) cc_final: 0.9195 (mttt) REVERT: y 266 LEU cc_start: 0.8469 (tp) cc_final: 0.8130 (tp) REVERT: y 273 GLU cc_start: 0.9126 (mp0) cc_final: 0.8846 (mp0) REVERT: y 313 SER cc_start: 0.9513 (p) cc_final: 0.8989 (t) REVERT: y 363 GLU cc_start: 0.9057 (tp30) cc_final: 0.8740 (tp30) REVERT: y 391 THR cc_start: 0.9298 (p) cc_final: 0.8672 (p) REVERT: y 406 THR cc_start: 0.9488 (p) cc_final: 0.9045 (t) REVERT: y 412 VAL cc_start: 0.9156 (m) cc_final: 0.8201 (m) REVERT: y 424 TYR cc_start: 0.8769 (m-80) cc_final: 0.7934 (m-10) REVERT: y 426 ASP cc_start: 0.9609 (t0) cc_final: 0.9208 (t0) REVERT: y 431 GLN cc_start: 0.8050 (tm-30) cc_final: 0.7622 (tm-30) REVERT: y 433 TYR cc_start: 0.7666 (p90) cc_final: 0.6908 (p90) REVERT: y 459 LEU cc_start: 0.9242 (mp) cc_final: 0.8815 (mp) REVERT: y 471 MET cc_start: 0.8080 (tpt) cc_final: 0.7687 (tpp) REVERT: y 481 ILE cc_start: 0.9196 (tp) cc_final: 0.8957 (tp) REVERT: y 497 GLN cc_start: 0.9169 (tp40) cc_final: 0.8560 (tm-30) REVERT: y 500 MET cc_start: 0.8948 (mtm) cc_final: 0.8524 (mpp) REVERT: y 509 LYS cc_start: 0.9331 (mttp) cc_final: 0.8899 (mtmt) REVERT: z 115 GLN cc_start: 0.7320 (mt0) cc_final: 0.7045 (tt0) REVERT: z 144 PHE cc_start: 0.9142 (m-80) cc_final: 0.8883 (m-80) REVERT: z 147 MET cc_start: 0.7818 (mtt) cc_final: 0.7293 (mtt) REVERT: z 153 MET cc_start: 0.9105 (mpp) cc_final: 0.8350 (mpp) REVERT: z 157 GLN cc_start: 0.9002 (tt0) cc_final: 0.7945 (mt0) REVERT: z 176 ASP cc_start: 0.8820 (m-30) cc_final: 0.8412 (m-30) REVERT: z 177 ILE cc_start: 0.9112 (mm) cc_final: 0.8644 (mm) REVERT: z 189 TYR cc_start: 0.7907 (m-80) cc_final: 0.7700 (m-10) REVERT: z 199 ASP cc_start: 0.8649 (t0) cc_final: 0.8274 (t0) REVERT: z 277 ASP cc_start: 0.9392 (m-30) cc_final: 0.9191 (m-30) REVERT: z 300 LEU cc_start: 0.9440 (mt) cc_final: 0.9209 (mt) REVERT: z 332 PHE cc_start: 0.8376 (t80) cc_final: 0.8053 (t80) REVERT: z 356 GLN cc_start: 0.9730 (tp-100) cc_final: 0.9508 (tp-100) REVERT: z 367 GLN cc_start: 0.8005 (tt0) cc_final: 0.7764 (tp40) REVERT: z 390 ASP cc_start: 0.8688 (t0) cc_final: 0.8451 (t70) REVERT: z 426 ASP cc_start: 0.8346 (t0) cc_final: 0.8141 (t0) REVERT: z 432 ASP cc_start: 0.7911 (p0) cc_final: 0.7246 (p0) REVERT: z 474 LYS cc_start: 0.7950 (pttt) cc_final: 0.7741 (pttt) REVERT: z 481 ILE cc_start: 0.9455 (pt) cc_final: 0.9237 (pt) REVERT: z 497 GLN cc_start: 0.8490 (mm-40) cc_final: 0.8225 (mm-40) REVERT: z 517 TYR cc_start: 0.8481 (m-10) cc_final: 0.7747 (m-10) REVERT: z 518 VAL cc_start: 0.9046 (p) cc_final: 0.8703 (p) REVERT: A 72 HIS cc_start: 0.7742 (m90) cc_final: 0.7164 (m170) REVERT: A 78 ASN cc_start: 0.9381 (m110) cc_final: 0.8980 (p0) REVERT: A 134 ASP cc_start: 0.8430 (t70) cc_final: 0.8119 (t0) REVERT: A 147 MET cc_start: 0.9421 (mtm) cc_final: 0.8870 (mtm) REVERT: A 182 PHE cc_start: 0.8900 (m-80) cc_final: 0.8486 (m-80) REVERT: A 199 ASP cc_start: 0.8495 (t0) cc_final: 0.8122 (t0) REVERT: A 228 MET cc_start: 0.8922 (mmm) cc_final: 0.8559 (mmm) REVERT: A 231 SER cc_start: 0.9253 (p) cc_final: 0.8988 (p) REVERT: A 297 GLU cc_start: 0.9149 (tp30) cc_final: 0.8835 (tp30) REVERT: A 299 MET cc_start: 0.9578 (mmp) cc_final: 0.9255 (mmm) REVERT: A 315 GLN cc_start: 0.7007 (mt0) cc_final: 0.6556 (mt0) REVERT: A 348 GLU cc_start: 0.9445 (mt-10) cc_final: 0.9190 (mt-10) REVERT: A 354 LEU cc_start: 0.9732 (mt) cc_final: 0.9503 (mt) REVERT: A 363 GLU cc_start: 0.9379 (tp30) cc_final: 0.8534 (tp30) REVERT: A 384 ASN cc_start: 0.9425 (m-40) cc_final: 0.9090 (m-40) REVERT: A 410 LYS cc_start: 0.9574 (mmmm) cc_final: 0.9083 (tptp) REVERT: A 428 TYR cc_start: 0.9161 (m-80) cc_final: 0.8908 (m-10) REVERT: A 430 LYS cc_start: 0.8395 (tmtt) cc_final: 0.7788 (tmtt) REVERT: A 433 TYR cc_start: 0.8349 (p90) cc_final: 0.7596 (p90) REVERT: A 435 THR cc_start: 0.9527 (p) cc_final: 0.9187 (p) REVERT: A 517 TYR cc_start: 0.7926 (m-80) cc_final: 0.7678 (m-80) REVERT: B 71 ASP cc_start: 0.7438 (t0) cc_final: 0.7184 (t0) REVERT: B 90 GLN cc_start: 0.9284 (mm110) cc_final: 0.9072 (mm-40) REVERT: B 112 CYS cc_start: 0.8347 (p) cc_final: 0.8147 (p) REVERT: B 123 GLN cc_start: 0.8261 (pt0) cc_final: 0.8005 (pt0) REVERT: B 147 MET cc_start: 0.9156 (mmm) cc_final: 0.8679 (mmm) REVERT: B 148 TYR cc_start: 0.8978 (m-80) cc_final: 0.8271 (m-80) REVERT: B 178 TYR cc_start: 0.8103 (m-80) cc_final: 0.7258 (m-80) REVERT: B 182 PHE cc_start: 0.9088 (m-80) cc_final: 0.8859 (m-10) REVERT: B 198 ILE cc_start: 0.9168 (mt) cc_final: 0.8704 (tp) REVERT: B 213 LYS cc_start: 0.9139 (ptpt) cc_final: 0.8912 (pptt) REVERT: B 293 ILE cc_start: 0.9735 (mt) cc_final: 0.9519 (mt) REVERT: B 297 GLU cc_start: 0.9427 (mm-30) cc_final: 0.9162 (mm-30) REVERT: B 304 ARG cc_start: 0.8751 (mmm160) cc_final: 0.8377 (mmm160) REVERT: B 318 LYS cc_start: 0.9247 (tppt) cc_final: 0.8846 (tppt) REVERT: B 321 MET cc_start: 0.8142 (mmp) cc_final: 0.6980 (mmm) REVERT: B 336 ASP cc_start: 0.8579 (t0) cc_final: 0.8170 (t70) REVERT: B 341 ARG cc_start: 0.9358 (mmm160) cc_final: 0.9132 (mmt180) REVERT: B 355 PHE cc_start: 0.9605 (t80) cc_final: 0.9393 (t80) REVERT: B 377 ILE cc_start: 0.9213 (mt) cc_final: 0.8881 (tp) REVERT: B 442 ASN cc_start: 0.9246 (t0) cc_final: 0.8931 (t0) REVERT: B 463 ASP cc_start: 0.8974 (t0) cc_final: 0.8762 (t0) REVERT: B 466 ASN cc_start: 0.9004 (p0) cc_final: 0.8656 (p0) REVERT: B 481 ILE cc_start: 0.8736 (pt) cc_final: 0.8160 (pt) REVERT: B 482 ASN cc_start: 0.8250 (t0) cc_final: 0.7770 (t0) REVERT: B 498 SER cc_start: 0.7589 (m) cc_final: 0.6858 (t) REVERT: B 510 ASN cc_start: 0.8879 (t0) cc_final: 0.8084 (t0) REVERT: B 513 PHE cc_start: 0.9080 (m-80) cc_final: 0.8605 (m-80) REVERT: C 105 ASN cc_start: 0.8679 (m110) cc_final: 0.7909 (p0) REVERT: C 106 LEU cc_start: 0.9536 (pt) cc_final: 0.8799 (pt) REVERT: C 107 ILE cc_start: 0.9247 (mt) cc_final: 0.8896 (mt) REVERT: C 115 GLN cc_start: 0.8328 (mm110) cc_final: 0.8079 (mm110) REVERT: C 117 MET cc_start: 0.8682 (mtm) cc_final: 0.8459 (mtm) REVERT: C 123 GLN cc_start: 0.9435 (pt0) cc_final: 0.8831 (pt0) REVERT: C 142 GLU cc_start: 0.8842 (pm20) cc_final: 0.8615 (pm20) REVERT: C 199 ASP cc_start: 0.8110 (t0) cc_final: 0.7591 (t0) REVERT: C 223 GLU cc_start: 0.8964 (tt0) cc_final: 0.8467 (tt0) REVERT: C 228 MET cc_start: 0.8905 (ttt) cc_final: 0.8697 (ttt) REVERT: C 250 MET cc_start: 0.9036 (mmm) cc_final: 0.8680 (tpp) REVERT: C 273 GLU cc_start: 0.9347 (mp0) cc_final: 0.8946 (pm20) REVERT: C 285 ASP cc_start: 0.9093 (m-30) cc_final: 0.8690 (m-30) REVERT: C 287 ASP cc_start: 0.9423 (p0) cc_final: 0.8974 (t0) REVERT: C 303 ASN cc_start: 0.8816 (t0) cc_final: 0.8590 (t0) REVERT: C 309 TRP cc_start: 0.9099 (m100) cc_final: 0.8898 (m100) REVERT: C 312 TYR cc_start: 0.9264 (t80) cc_final: 0.8980 (t80) REVERT: C 321 MET cc_start: 0.8651 (pmm) cc_final: 0.8395 (pmm) REVERT: C 336 ASP cc_start: 0.7462 (t0) cc_final: 0.6814 (t70) REVERT: C 345 TRP cc_start: 0.9579 (t60) cc_final: 0.8911 (t60) REVERT: C 353 LEU cc_start: 0.9573 (tp) cc_final: 0.9371 (tp) REVERT: C 356 GLN cc_start: 0.9505 (tp40) cc_final: 0.8306 (tp-100) REVERT: C 370 ARG cc_start: 0.9294 (mmt180) cc_final: 0.8621 (mmm-85) REVERT: C 398 GLN cc_start: 0.9408 (tt0) cc_final: 0.9016 (tm-30) REVERT: C 442 ASN cc_start: 0.9360 (t0) cc_final: 0.9127 (t0) REVERT: C 443 GLU cc_start: 0.8692 (tt0) cc_final: 0.8429 (pm20) REVERT: C 452 PRO cc_start: 0.8990 (Cg_endo) cc_final: 0.7802 (Cg_exo) REVERT: C 481 ILE cc_start: 0.9455 (pt) cc_final: 0.9098 (mm) REVERT: C 510 ASN cc_start: 0.9426 (t0) cc_final: 0.9127 (t0) REVERT: D 74 TYR cc_start: 0.7863 (m-10) cc_final: 0.7663 (m-10) REVERT: D 96 MET cc_start: 0.8779 (ptp) cc_final: 0.8125 (ppp) REVERT: D 105 ASN cc_start: 0.8771 (t0) cc_final: 0.8435 (m-40) REVERT: D 109 PHE cc_start: 0.9202 (p90) cc_final: 0.8434 (p90) REVERT: D 119 SER cc_start: 0.9568 (t) cc_final: 0.9154 (p) REVERT: D 145 HIS cc_start: 0.9130 (t-90) cc_final: 0.8489 (t-90) REVERT: D 147 MET cc_start: 0.9182 (mmp) cc_final: 0.8634 (mmp) REVERT: D 148 TYR cc_start: 0.9462 (m-80) cc_final: 0.8935 (m-80) REVERT: D 166 LEU cc_start: 0.9025 (mt) cc_final: 0.8757 (mt) REVERT: D 176 ASP cc_start: 0.8666 (t0) cc_final: 0.8420 (t0) REVERT: D 199 ASP cc_start: 0.8088 (t0) cc_final: 0.7779 (t70) REVERT: D 212 ILE cc_start: 0.9713 (mt) cc_final: 0.9486 (pt) REVERT: D 213 LYS cc_start: 0.9272 (mttt) cc_final: 0.8723 (mttt) REVERT: D 216 MET cc_start: 0.9333 (mtm) cc_final: 0.9085 (mtm) REVERT: D 228 MET cc_start: 0.8802 (ttt) cc_final: 0.8558 (ttt) REVERT: D 245 ASN cc_start: 0.6113 (p0) cc_final: 0.5759 (p0) REVERT: D 250 MET cc_start: 0.9039 (pmm) cc_final: 0.8539 (pmm) REVERT: D 257 GLN cc_start: 0.8612 (mt0) cc_final: 0.7772 (pm20) REVERT: D 267 LYS cc_start: 0.7495 (mttm) cc_final: 0.6912 (mttt) REVERT: D 289 GLU cc_start: 0.9482 (tt0) cc_final: 0.9086 (tt0) REVERT: D 312 TYR cc_start: 0.9518 (t80) cc_final: 0.9288 (t80) REVERT: D 345 TRP cc_start: 0.9116 (p-90) cc_final: 0.8286 (p-90) REVERT: D 356 GLN cc_start: 0.9481 (tp40) cc_final: 0.9243 (tp-100) REVERT: D 386 LEU cc_start: 0.9824 (mt) cc_final: 0.9595 (mt) REVERT: D 391 THR cc_start: 0.9126 (p) cc_final: 0.8796 (t) REVERT: D 400 LEU cc_start: 0.9513 (mt) cc_final: 0.9053 (mt) REVERT: D 404 PHE cc_start: 0.9249 (m-80) cc_final: 0.8633 (m-80) REVERT: D 407 ASP cc_start: 0.9020 (t0) cc_final: 0.8748 (t70) REVERT: D 410 LYS cc_start: 0.9418 (mttt) cc_final: 0.9164 (mttt) REVERT: D 420 LYS cc_start: 0.8829 (ttpt) cc_final: 0.8387 (ttpt) REVERT: D 431 GLN cc_start: 0.8791 (tm-30) cc_final: 0.8551 (tm-30) REVERT: D 432 ASP cc_start: 0.7868 (t70) cc_final: 0.7643 (t0) REVERT: D 433 TYR cc_start: 0.8050 (p90) cc_final: 0.7650 (p90) REVERT: D 481 ILE cc_start: 0.9156 (mm) cc_final: 0.8693 (tp) REVERT: D 482 ASN cc_start: 0.8077 (t0) cc_final: 0.7379 (t0) REVERT: D 505 ASN cc_start: 0.9465 (t0) cc_final: 0.9180 (t0) REVERT: D 513 PHE cc_start: 0.9154 (m-80) cc_final: 0.8531 (m-80) REVERT: E 35 LYS cc_start: 0.8481 (tttm) cc_final: 0.8179 (tptt) REVERT: E 37 ASP cc_start: 0.8799 (p0) cc_final: 0.8397 (t0) REVERT: E 61 ILE cc_start: 0.8921 (mt) cc_final: 0.8379 (mt) REVERT: E 79 TYR cc_start: 0.9297 (m-10) cc_final: 0.8946 (m-80) REVERT: E 81 ASN cc_start: 0.9591 (m110) cc_final: 0.9384 (m110) REVERT: E 85 ASN cc_start: 0.8050 (m-40) cc_final: 0.7744 (m110) REVERT: E 112 ASN cc_start: 0.9440 (t0) cc_final: 0.8662 (p0) REVERT: E 146 HIS cc_start: 0.8540 (m-70) cc_final: 0.8275 (m-70) REVERT: E 204 GLU cc_start: 0.8382 (mt-10) cc_final: 0.7830 (mp0) REVERT: E 253 TYR cc_start: 0.9175 (m-80) cc_final: 0.8953 (m-80) REVERT: E 259 LYS cc_start: 0.9075 (tmmt) cc_final: 0.8757 (ttpp) REVERT: E 330 MET cc_start: 0.7351 (ptm) cc_final: 0.6868 (ptm) REVERT: E 360 GLU cc_start: 0.8784 (mm-30) cc_final: 0.8429 (mm-30) REVERT: E 371 MET cc_start: 0.9196 (mmp) cc_final: 0.8883 (mmp) REVERT: E 400 GLU cc_start: 0.9536 (tp30) cc_final: 0.9335 (tp30) REVERT: E 451 ASP cc_start: 0.9091 (t0) cc_final: 0.8637 (p0) REVERT: E 457 LEU cc_start: 0.9582 (mt) cc_final: 0.9317 (mt) REVERT: E 487 MET cc_start: 0.9138 (mtm) cc_final: 0.8932 (mtm) REVERT: E 498 ILE cc_start: 0.9572 (tt) cc_final: 0.9162 (mm) REVERT: E 499 GLU cc_start: 0.8606 (tt0) cc_final: 0.8353 (tt0) REVERT: E 503 LYS cc_start: 0.8975 (mttt) cc_final: 0.8698 (ttmt) REVERT: F 14 LYS cc_start: 0.9301 (mttt) cc_final: 0.8991 (mttt) REVERT: F 15 MET cc_start: 0.9580 (mtp) cc_final: 0.9345 (mtt) REVERT: F 17 GLU cc_start: 0.9030 (mt-10) cc_final: 0.8717 (mt-10) REVERT: F 69 MET cc_start: 0.6790 (ptp) cc_final: 0.6245 (ptp) REVERT: F 80 ARG cc_start: 0.9047 (mtt90) cc_final: 0.8519 (mpp80) REVERT: F 83 MET cc_start: 0.7458 (tmm) cc_final: 0.7258 (tmm) REVERT: F 98 ASP cc_start: 0.9210 (m-30) cc_final: 0.8906 (m-30) REVERT: F 124 ASN cc_start: 0.9613 (t0) cc_final: 0.9410 (t0) REVERT: F 125 MET cc_start: 0.8813 (mtm) cc_final: 0.8374 (mtt) REVERT: F 126 MET cc_start: 0.9039 (mmm) cc_final: 0.8369 (mmm) REVERT: F 127 LEU cc_start: 0.9138 (pp) cc_final: 0.8514 (mm) REVERT: F 132 ASP cc_start: 0.9148 (t70) cc_final: 0.8912 (t0) REVERT: F 146 HIS cc_start: 0.9183 (m-70) cc_final: 0.8663 (m-70) REVERT: F 147 PHE cc_start: 0.9339 (t80) cc_final: 0.9054 (t80) REVERT: F 150 TRP cc_start: 0.8083 (t60) cc_final: 0.7743 (t60) REVERT: F 151 TYR cc_start: 0.8994 (t80) cc_final: 0.8676 (t80) REVERT: F 181 GLN cc_start: 0.8343 (mt0) cc_final: 0.7919 (mt0) REVERT: F 186 ARG cc_start: 0.6616 (mmt90) cc_final: 0.6359 (mtp180) REVERT: F 230 ILE cc_start: 0.8669 (mm) cc_final: 0.8319 (mp) REVERT: F 239 HIS cc_start: 0.8491 (p90) cc_final: 0.8134 (p-80) REVERT: F 259 LYS cc_start: 0.7869 (tttp) cc_final: 0.7206 (tptt) REVERT: F 262 ASN cc_start: 0.9140 (m110) cc_final: 0.8881 (m110) REVERT: F 365 PHE cc_start: 0.9611 (m-80) cc_final: 0.9262 (m-80) REVERT: F 371 MET cc_start: 0.8297 (mtp) cc_final: 0.7967 (mtp) REVERT: F 420 ASP cc_start: 0.9141 (t70) cc_final: 0.8902 (t70) REVERT: F 425 ASN cc_start: 0.9005 (m-40) cc_final: 0.8388 (p0) REVERT: F 445 LYS cc_start: 0.9437 (mtpp) cc_final: 0.8641 (mmtt) REVERT: F 447 GLU cc_start: 0.9010 (mt-10) cc_final: 0.8383 (mp0) REVERT: F 453 TYR cc_start: 0.7513 (t80) cc_final: 0.7249 (t80) REVERT: F 459 GLU cc_start: 0.8839 (mt-10) cc_final: 0.8439 (mt-10) REVERT: F 464 GLU cc_start: 0.8783 (pp20) cc_final: 0.8351 (pp20) REVERT: F 465 ARG cc_start: 0.8425 (mtt180) cc_final: 0.8063 (ttm170) REVERT: F 479 LYS cc_start: 0.6762 (mttt) cc_final: 0.6342 (tptt) REVERT: F 487 MET cc_start: 0.9108 (mtp) cc_final: 0.8821 (mtt) REVERT: F 491 LEU cc_start: 0.9244 (mt) cc_final: 0.9001 (mt) REVERT: G 20 PHE cc_start: 0.8151 (m-10) cc_final: 0.7824 (m-80) REVERT: G 31 ILE cc_start: 0.8044 (mt) cc_final: 0.7701 (mt) REVERT: G 43 PHE cc_start: 0.9089 (t80) cc_final: 0.8754 (t80) REVERT: G 109 VAL cc_start: 0.8090 (p) cc_final: 0.7246 (p) REVERT: G 174 LEU cc_start: 0.9050 (mt) cc_final: 0.8527 (mt) REVERT: G 221 MET cc_start: 0.0153 (tmm) cc_final: -0.0070 (ttt) REVERT: G 265 LYS cc_start: 0.9157 (mtpt) cc_final: 0.8736 (mmmt) REVERT: G 371 MET cc_start: 0.8975 (ptm) cc_final: 0.8283 (tmm) REVERT: G 399 ASP cc_start: 0.8247 (t70) cc_final: 0.7453 (t70) REVERT: G 400 GLU cc_start: 0.9121 (mm-30) cc_final: 0.8745 (mm-30) REVERT: G 409 GLU cc_start: 0.9163 (mt-10) cc_final: 0.8614 (mt-10) REVERT: G 413 LYS cc_start: 0.9721 (mttt) cc_final: 0.9346 (mttp) REVERT: G 416 GLU cc_start: 0.8925 (tp30) cc_final: 0.8651 (tp30) REVERT: G 428 LEU cc_start: 0.9030 (mt) cc_final: 0.8712 (mt) REVERT: G 463 LEU cc_start: 0.9545 (tp) cc_final: 0.9271 (tp) REVERT: G 466 ARG cc_start: 0.8418 (mtt180) cc_final: 0.7864 (ttm110) REVERT: G 470 LEU cc_start: 0.9106 (mt) cc_final: 0.8809 (mt) REVERT: G 501 GLU cc_start: 0.8945 (mm-30) cc_final: 0.8707 (mm-30) REVERT: G 504 GLN cc_start: 0.8633 (tp40) cc_final: 0.8006 (tm-30) REVERT: G 505 ILE cc_start: 0.8725 (mt) cc_final: 0.8389 (mt) REVERT: H 98 ASP cc_start: 0.9545 (m-30) cc_final: 0.9103 (p0) REVERT: H 100 ILE cc_start: 0.8969 (mm) cc_final: 0.8420 (mm) REVERT: H 137 LEU cc_start: 0.9250 (tp) cc_final: 0.8590 (tp) REVERT: H 146 HIS cc_start: 0.8578 (m-70) cc_final: 0.7753 (m-70) REVERT: H 147 PHE cc_start: 0.9518 (t80) cc_final: 0.9308 (t80) REVERT: H 173 GLU cc_start: 0.8011 (pm20) cc_final: 0.7637 (mp0) REVERT: H 274 TYR cc_start: 0.7830 (t80) cc_final: 0.7501 (t80) REVERT: H 275 ARG cc_start: 0.9499 (tpt-90) cc_final: 0.9266 (mmm-85) REVERT: H 292 MET cc_start: 0.6141 (mtt) cc_final: 0.5838 (mtt) REVERT: H 305 MET cc_start: -0.2899 (ptm) cc_final: -0.3922 (ttp) REVERT: H 308 MET cc_start: 0.3728 (mmt) cc_final: 0.1866 (mmt) REVERT: H 321 ILE cc_start: 0.8720 (mm) cc_final: 0.8444 (mm) REVERT: H 363 ARG cc_start: 0.9129 (mtp180) cc_final: 0.8543 (ttm110) REVERT: H 365 PHE cc_start: 0.9482 (m-80) cc_final: 0.8952 (m-80) REVERT: H 401 LEU cc_start: 0.9449 (mt) cc_final: 0.9236 (mt) REVERT: H 403 PHE cc_start: 0.9273 (t80) cc_final: 0.8884 (t80) REVERT: H 407 ILE cc_start: 0.9641 (mm) cc_final: 0.8961 (mm) REVERT: H 409 GLU cc_start: 0.9584 (mt-10) cc_final: 0.9364 (mt-10) REVERT: H 413 LYS cc_start: 0.9274 (mmtt) cc_final: 0.8851 (mmtt) REVERT: H 414 PHE cc_start: 0.9444 (t80) cc_final: 0.8613 (t80) REVERT: H 417 VAL cc_start: 0.9131 (p) cc_final: 0.8468 (t) REVERT: H 419 LEU cc_start: 0.9563 (mm) cc_final: 0.9352 (mm) REVERT: H 420 ASP cc_start: 0.9182 (t70) cc_final: 0.8897 (t70) REVERT: H 457 LEU cc_start: 0.8595 (mp) cc_final: 0.8392 (mp) REVERT: H 459 GLU cc_start: 0.9235 (mt-10) cc_final: 0.8929 (mt-10) REVERT: H 472 MET cc_start: 0.8912 (mtm) cc_final: 0.8583 (mtp) REVERT: I 126 MET cc_start: 0.8961 (mtm) cc_final: 0.8598 (mtm) REVERT: I 155 ARG cc_start: 0.7375 (ptp-170) cc_final: 0.7113 (ptp-170) REVERT: I 157 PHE cc_start: 0.8634 (m-80) cc_final: 0.8045 (m-80) REVERT: I 181 GLN cc_start: 0.8321 (mp10) cc_final: 0.7924 (mm-40) REVERT: I 239 HIS cc_start: 0.7872 (p-80) cc_final: 0.7541 (p-80) REVERT: I 267 LEU cc_start: 0.8782 (mt) cc_final: 0.8436 (mt) REVERT: I 364 TRP cc_start: 0.9164 (t60) cc_final: 0.7733 (t60) REVERT: I 401 LEU cc_start: 0.9548 (mt) cc_final: 0.9271 (mt) REVERT: I 402 THR cc_start: 0.9674 (p) cc_final: 0.9428 (p) REVERT: I 469 MET cc_start: 0.9382 (mmm) cc_final: 0.8984 (mmm) REVERT: I 481 ILE cc_start: 0.9285 (mm) cc_final: 0.8956 (tp) REVERT: I 504 GLN cc_start: 0.9436 (tp-100) cc_final: 0.9022 (tp40) REVERT: J 49 GLU cc_start: 0.8169 (mt-10) cc_final: 0.7878 (mt-10) REVERT: J 94 GLU cc_start: 0.9481 (tt0) cc_final: 0.9080 (tt0) REVERT: J 113 LEU cc_start: 0.8148 (mt) cc_final: 0.7801 (mt) REVERT: J 126 MET cc_start: 0.8679 (mtt) cc_final: 0.8459 (mtt) REVERT: J 127 LEU cc_start: 0.8657 (mt) cc_final: 0.8303 (mt) REVERT: J 128 ASP cc_start: 0.9107 (m-30) cc_final: 0.8834 (p0) REVERT: J 146 HIS cc_start: 0.9260 (m-70) cc_final: 0.8326 (m-70) REVERT: J 156 ILE cc_start: 0.8499 (tt) cc_final: 0.8265 (tt) REVERT: J 157 PHE cc_start: 0.9363 (m-80) cc_final: 0.8867 (m-80) REVERT: J 158 PHE cc_start: 0.9454 (m-80) cc_final: 0.9165 (m-80) REVERT: J 176 ARG cc_start: 0.8597 (ttp-170) cc_final: 0.8262 (ptm160) REVERT: J 205 TYR cc_start: 0.8991 (p90) cc_final: 0.8704 (p90) REVERT: J 262 ASN cc_start: 0.9395 (m-40) cc_final: 0.9101 (p0) REVERT: J 278 ARG cc_start: 0.5636 (mtp180) cc_final: 0.5433 (mtp180) REVERT: J 348 ASP cc_start: 0.8792 (m-30) cc_final: 0.8579 (m-30) REVERT: J 364 TRP cc_start: 0.8959 (t-100) cc_final: 0.8705 (t-100) REVERT: J 367 GLN cc_start: 0.9323 (tp40) cc_final: 0.8392 (tp40) REVERT: J 371 MET cc_start: 0.9450 (mtp) cc_final: 0.8658 (mtm) REVERT: J 396 ILE cc_start: 0.7825 (mm) cc_final: 0.7145 (mm) REVERT: J 400 GLU cc_start: 0.9290 (tp30) cc_final: 0.9045 (tp30) REVERT: J 405 LYS cc_start: 0.9222 (mttm) cc_final: 0.8920 (mtpp) REVERT: J 409 GLU cc_start: 0.9228 (mt-10) cc_final: 0.8845 (mt-10) REVERT: J 413 LYS cc_start: 0.9276 (mmtt) cc_final: 0.8971 (mmtt) REVERT: J 414 PHE cc_start: 0.9419 (t80) cc_final: 0.8741 (t80) REVERT: J 423 LYS cc_start: 0.8380 (tmtt) cc_final: 0.7730 (ttpp) REVERT: J 448 PHE cc_start: 0.8145 (m-80) cc_final: 0.7884 (m-80) REVERT: J 451 ASP cc_start: 0.9271 (t0) cc_final: 0.8907 (t70) REVERT: J 457 LEU cc_start: 0.8764 (tt) cc_final: 0.8432 (tt) REVERT: J 458 LYS cc_start: 0.8409 (ttpt) cc_final: 0.7946 (ttpt) REVERT: J 461 GLU cc_start: 0.9167 (mt-10) cc_final: 0.8853 (mt-10) REVERT: J 468 ASN cc_start: 0.9241 (m110) cc_final: 0.8920 (m110) REVERT: J 483 HIS cc_start: 0.7623 (m170) cc_final: 0.7324 (m170) REVERT: J 498 ILE cc_start: 0.8588 (mt) cc_final: 0.8332 (mt) REVERT: K 125 MET cc_start: 0.8575 (mmp) cc_final: 0.8347 (mmp) REVERT: K 185 VAL cc_start: 0.8110 (p) cc_final: 0.7879 (p) REVERT: K 250 ILE cc_start: 0.9200 (pt) cc_final: 0.8733 (pt) REVERT: K 301 MET cc_start: 0.2939 (mmm) cc_final: 0.2676 (mmt) REVERT: K 315 ASP cc_start: 0.5510 (t0) cc_final: 0.5264 (t0) REVERT: K 359 MET cc_start: 0.9088 (ttp) cc_final: 0.8482 (ttp) REVERT: K 360 GLU cc_start: 0.9577 (mm-30) cc_final: 0.8989 (mp0) REVERT: K 396 ILE cc_start: 0.8619 (tt) cc_final: 0.8337 (tt) REVERT: K 401 LEU cc_start: 0.9128 (mt) cc_final: 0.8739 (mt) REVERT: K 410 LEU cc_start: 0.9748 (mt) cc_final: 0.9542 (mt) REVERT: K 411 GLN cc_start: 0.9183 (mt0) cc_final: 0.8501 (mm-40) REVERT: K 420 ASP cc_start: 0.9570 (t0) cc_final: 0.9325 (t0) REVERT: K 457 LEU cc_start: 0.8945 (mt) cc_final: 0.8620 (mt) REVERT: K 461 GLU cc_start: 0.8789 (mt-10) cc_final: 0.8529 (mt-10) REVERT: K 465 ARG cc_start: 0.9070 (tpm170) cc_final: 0.8459 (tpp-160) REVERT: K 472 MET cc_start: 0.9325 (mtm) cc_final: 0.8678 (mtp) REVERT: K 481 ILE cc_start: 0.8230 (tt) cc_final: 0.7930 (tp) REVERT: K 485 THR cc_start: 0.9109 (m) cc_final: 0.8667 (m) REVERT: K 488 LYS cc_start: 0.8366 (pttp) cc_final: 0.8102 (pttp) REVERT: K 497 GLU cc_start: 0.7426 (tt0) cc_final: 0.6995 (tt0) REVERT: L 14 LYS cc_start: 0.8514 (mttt) cc_final: 0.8129 (mmtp) REVERT: L 24 GLU cc_start: 0.8585 (tt0) cc_final: 0.7813 (mt-10) REVERT: L 83 MET cc_start: 0.9008 (ttp) cc_final: 0.8474 (tpp) REVERT: L 85 ASN cc_start: 0.9039 (m-40) cc_final: 0.8799 (m110) REVERT: L 111 LEU cc_start: 0.9315 (tp) cc_final: 0.9057 (tp) REVERT: L 112 ASN cc_start: 0.8534 (m110) cc_final: 0.8191 (m110) REVERT: L 113 LEU cc_start: 0.7112 (mt) cc_final: 0.6406 (mt) REVERT: L 150 TRP cc_start: 0.8151 (t-100) cc_final: 0.7631 (t-100) REVERT: L 202 TYR cc_start: 0.7250 (m-80) cc_final: 0.6743 (m-80) REVERT: L 215 TYR cc_start: 0.7400 (m-10) cc_final: 0.7131 (m-80) REVERT: L 235 VAL cc_start: 0.9443 (t) cc_final: 0.9216 (p) REVERT: L 256 ARG cc_start: 0.8389 (ttp-110) cc_final: 0.8110 (ttp-170) REVERT: L 268 GLU cc_start: 0.9277 (tt0) cc_final: 0.8488 (tm-30) REVERT: L 277 THR cc_start: 0.8265 (p) cc_final: 0.7984 (p) REVERT: L 305 MET cc_start: -0.1148 (ptt) cc_final: -0.1633 (ptt) REVERT: L 363 ARG cc_start: 0.8908 (mtt180) cc_final: 0.8244 (ttm110) REVERT: L 401 LEU cc_start: 0.9619 (mt) cc_final: 0.9400 (mt) REVERT: L 407 ILE cc_start: 0.9699 (mm) cc_final: 0.9222 (mm) REVERT: L 411 GLN cc_start: 0.9115 (mt0) cc_final: 0.8813 (tt0) REVERT: L 414 PHE cc_start: 0.9228 (t80) cc_final: 0.8976 (t80) REVERT: L 416 GLU cc_start: 0.9175 (mm-30) cc_final: 0.8944 (mm-30) REVERT: L 419 LEU cc_start: 0.9464 (mt) cc_final: 0.9235 (mt) REVERT: L 420 ASP cc_start: 0.9212 (t0) cc_final: 0.8951 (t0) REVERT: L 426 LEU cc_start: 0.9619 (mt) cc_final: 0.9405 (mt) REVERT: L 434 GLU cc_start: 0.8378 (tt0) cc_final: 0.7773 (pm20) REVERT: L 480 TYR cc_start: 0.8987 (m-80) cc_final: 0.8726 (m-80) REVERT: L 487 MET cc_start: 0.9240 (mmt) cc_final: 0.8889 (mmt) REVERT: L 504 GLN cc_start: 0.9149 (mt0) cc_final: 0.8806 (mt0) REVERT: M 45 VAL cc_start: 0.7709 (t) cc_final: 0.7435 (t) REVERT: M 74 GLU cc_start: 0.9361 (mt-10) cc_final: 0.9116 (mt-10) REVERT: M 75 LEU cc_start: 0.9024 (mt) cc_final: 0.8801 (mt) REVERT: M 78 THR cc_start: 0.8623 (m) cc_final: 0.8354 (p) REVERT: M 79 TYR cc_start: 0.9379 (m-10) cc_final: 0.9059 (m-80) REVERT: M 98 ASP cc_start: 0.9511 (m-30) cc_final: 0.8999 (m-30) REVERT: M 123 LYS cc_start: 0.9121 (mttt) cc_final: 0.8882 (mttt) REVERT: M 137 LEU cc_start: 0.9286 (mt) cc_final: 0.9079 (mt) REVERT: M 146 HIS cc_start: 0.9039 (m-70) cc_final: 0.8575 (m-70) REVERT: M 150 TRP cc_start: 0.8756 (t60) cc_final: 0.8443 (t60) REVERT: M 151 TYR cc_start: 0.9367 (t80) cc_final: 0.9040 (t80) REVERT: M 153 ASP cc_start: 0.9341 (m-30) cc_final: 0.8912 (t0) REVERT: M 179 PRO cc_start: 0.9757 (Cg_exo) cc_final: 0.9550 (Cg_endo) REVERT: M 239 HIS cc_start: 0.8221 (p-80) cc_final: 0.7182 (p-80) REVERT: M 336 LEU cc_start: 0.7135 (mm) cc_final: 0.6690 (mm) REVERT: M 350 LEU cc_start: 0.7859 (mt) cc_final: 0.7614 (mt) REVERT: M 367 GLN cc_start: 0.9073 (tp40) cc_final: 0.8437 (tp40) REVERT: M 371 MET cc_start: 0.9359 (mtp) cc_final: 0.8632 (mtp) REVERT: M 406 PHE cc_start: 0.9404 (t80) cc_final: 0.9177 (t80) REVERT: M 420 ASP cc_start: 0.9494 (t70) cc_final: 0.9221 (t0) REVERT: M 459 GLU cc_start: 0.9427 (mt-10) cc_final: 0.9086 (mt-10) REVERT: M 472 MET cc_start: 0.8792 (mtp) cc_final: 0.8540 (mtp) REVERT: M 487 MET cc_start: 0.8978 (mtt) cc_final: 0.8675 (mtt) REVERT: M 493 MET cc_start: 0.8634 (mtm) cc_final: 0.8332 (mtm) REVERT: M 500 GLN cc_start: 0.8903 (mm110) cc_final: 0.8590 (mm-40) REVERT: M 504 GLN cc_start: 0.8477 (tp40) cc_final: 0.8005 (tp40) REVERT: M 507 GLU cc_start: 0.9354 (mt-10) cc_final: 0.8971 (mm-30) REVERT: N 69 MET cc_start: 0.8603 (mmp) cc_final: 0.8207 (mmm) REVERT: N 73 ARG cc_start: 0.8313 (mtp180) cc_final: 0.7995 (mtp180) REVERT: N 101 VAL cc_start: 0.8589 (p) cc_final: 0.8134 (m) REVERT: N 130 PHE cc_start: 0.8863 (t80) cc_final: 0.8417 (t80) REVERT: N 147 PHE cc_start: 0.9031 (t80) cc_final: 0.8131 (t80) REVERT: N 150 TRP cc_start: 0.9143 (t60) cc_final: 0.7295 (t60) REVERT: N 183 GLN cc_start: 0.8446 (tp-100) cc_final: 0.7591 (tp-100) REVERT: N 221 MET cc_start: 0.2800 (mmt) cc_final: 0.2445 (mmt) REVERT: N 273 ILE cc_start: 0.9539 (OUTLIER) cc_final: 0.9149 (mp) REVERT: N 276 ILE cc_start: 0.9093 (mt) cc_final: 0.8872 (mt) REVERT: N 366 ARG cc_start: 0.8729 (mtp-110) cc_final: 0.8413 (ptm160) REVERT: N 375 VAL cc_start: 0.9069 (p) cc_final: 0.8844 (p) REVERT: N 400 GLU cc_start: 0.9305 (mm-30) cc_final: 0.8998 (mm-30) REVERT: N 403 PHE cc_start: 0.9181 (t80) cc_final: 0.8713 (t80) REVERT: N 410 LEU cc_start: 0.8976 (mt) cc_final: 0.8532 (mt) REVERT: N 414 PHE cc_start: 0.9369 (t80) cc_final: 0.7461 (t80) REVERT: N 416 GLU cc_start: 0.8653 (mm-30) cc_final: 0.8207 (tp30) REVERT: N 423 LYS cc_start: 0.8084 (pttt) cc_final: 0.7682 (ptpt) REVERT: N 498 ILE cc_start: 0.8950 (mt) cc_final: 0.8680 (mt) REVERT: N 507 GLU cc_start: 0.9145 (tt0) cc_final: 0.8576 (tm-30) REVERT: O 31 ILE cc_start: 0.8097 (mt) cc_final: 0.7703 (mt) REVERT: O 36 LEU cc_start: 0.8019 (mt) cc_final: 0.7746 (mt) REVERT: O 66 GLU cc_start: 0.8049 (tp30) cc_final: 0.7814 (tp30) REVERT: O 69 MET cc_start: 0.8441 (mmm) cc_final: 0.6931 (mmm) REVERT: O 73 ARG cc_start: 0.7729 (mtt-85) cc_final: 0.7441 (tpt-90) REVERT: O 83 MET cc_start: 0.8544 (ttp) cc_final: 0.7908 (tpp) REVERT: O 132 ASP cc_start: 0.9162 (t0) cc_final: 0.8805 (t0) REVERT: O 172 LYS cc_start: 0.7293 (mmtt) cc_final: 0.6866 (mtmt) REVERT: O 180 ARG cc_start: 0.7629 (mtm180) cc_final: 0.7291 (mpp80) REVERT: O 182 VAL cc_start: 0.9207 (t) cc_final: 0.8774 (p) REVERT: O 250 ILE cc_start: 0.8146 (mt) cc_final: 0.7600 (mt) REVERT: O 275 ARG cc_start: 0.8479 (mmm160) cc_final: 0.8094 (mmm160) REVERT: O 292 MET cc_start: 0.6426 (mtt) cc_final: 0.5618 (ttm) REVERT: O 334 TYR cc_start: 0.7434 (m-80) cc_final: 0.6335 (m-80) REVERT: O 337 GLN cc_start: 0.7644 (pp30) cc_final: 0.7442 (pp30) REVERT: O 350 LEU cc_start: 0.8262 (mt) cc_final: 0.7912 (mt) REVERT: O 364 TRP cc_start: 0.9281 (t60) cc_final: 0.8979 (t60) REVERT: O 409 GLU cc_start: 0.9271 (tt0) cc_final: 0.9033 (tp30) REVERT: O 413 LYS cc_start: 0.8956 (mttp) cc_final: 0.8553 (ttmm) REVERT: O 416 GLU cc_start: 0.8287 (mm-30) cc_final: 0.7598 (tt0) REVERT: O 420 ASP cc_start: 0.9625 (t0) cc_final: 0.9391 (t0) REVERT: O 469 MET cc_start: 0.9414 (mmp) cc_final: 0.8619 (ttm) REVERT: O 490 ILE cc_start: 0.9279 (mp) cc_final: 0.8657 (mp) REVERT: P 47 SER cc_start: 0.7727 (t) cc_final: 0.7215 (m) REVERT: P 80 ARG cc_start: 0.9044 (mmt90) cc_final: 0.8628 (mmm-85) REVERT: P 104 ASP cc_start: 0.9341 (m-30) cc_final: 0.8774 (p0) REVERT: P 105 ASP cc_start: 0.9061 (m-30) cc_final: 0.8818 (t70) REVERT: P 125 MET cc_start: 0.9128 (mmm) cc_final: 0.8800 (mtt) REVERT: P 132 ASP cc_start: 0.8733 (t0) cc_final: 0.8135 (m-30) REVERT: P 150 TRP cc_start: 0.8849 (t60) cc_final: 0.8428 (t60) REVERT: P 151 TYR cc_start: 0.9069 (t80) cc_final: 0.8816 (t80) REVERT: P 153 ASP cc_start: 0.9114 (m-30) cc_final: 0.8865 (m-30) REVERT: P 158 PHE cc_start: 0.9378 (m-80) cc_final: 0.8983 (m-80) REVERT: P 230 ILE cc_start: 0.8063 (mm) cc_final: 0.7665 (mp) REVERT: P 243 VAL cc_start: 0.7369 (p) cc_final: 0.7027 (t) REVERT: P 255 HIS cc_start: 0.9113 (t70) cc_final: 0.8805 (t70) REVERT: P 267 LEU cc_start: 0.9187 (mt) cc_final: 0.8878 (mt) REVERT: P 301 MET cc_start: 0.2456 (tpt) cc_final: 0.2194 (tpt) REVERT: P 328 MET cc_start: 0.7281 (ttm) cc_final: 0.6723 (ttm) REVERT: P 332 GLU cc_start: 0.8414 (mm-30) cc_final: 0.7898 (mm-30) REVERT: P 358 ASN cc_start: 0.8667 (m-40) cc_final: 0.7601 (t0) REVERT: P 360 GLU cc_start: 0.8515 (pt0) cc_final: 0.7640 (pt0) REVERT: P 396 ILE cc_start: 0.8031 (tt) cc_final: 0.7672 (tt) REVERT: P 436 GLU cc_start: 0.8577 (mt-10) cc_final: 0.7971 (mm-30) REVERT: P 457 LEU cc_start: 0.9563 (mt) cc_final: 0.9341 (mt) REVERT: P 461 GLU cc_start: 0.8589 (mt-10) cc_final: 0.7889 (mt-10) REVERT: P 493 MET cc_start: 0.8157 (mmp) cc_final: 0.7844 (mmm) REVERT: P 501 GLU cc_start: 0.9145 (mm-30) cc_final: 0.8694 (mm-30) REVERT: P 505 ILE cc_start: 0.7330 (mt) cc_final: 0.6566 (mt) outliers start: 24 outliers final: 3 residues processed: 7305 average time/residue: 1.2554 time to fit residues: 16056.6511 Evaluate side-chains 6181 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 6175 time to evaluate : 12.007 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=4.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 1732 optimal weight: 2.9990 chunk 1318 optimal weight: 0.6980 chunk 910 optimal weight: 4.9990 chunk 194 optimal weight: 1.9990 chunk 837 optimal weight: 6.9990 chunk 1177 optimal weight: 0.9990 chunk 1760 optimal weight: 5.9990 chunk 1863 optimal weight: 2.9990 chunk 919 optimal weight: 1.9990 chunk 1668 optimal weight: 2.9990 chunk 502 optimal weight: 0.9990 overall best weight: 1.3388 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 240 ASN b 257 GLN ** b 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 315 GLN b 381 ASN b 482 ASN c 240 ASN c 356 GLN ** c 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 123 GLN ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 468 GLN ** e 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** e 427 GLN ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** f 468 GLN ** f 490 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 72 HIS ** g 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** g 381 ASN g 431 GLN ** h 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** h 505 ASN ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** i 236 GLN ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 240 ASN ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 215 GLN ** k 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 381 ASN ** l 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 381 ASN ** n 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 374 ASN n 381 ASN n 384 ASN n 427 GLN ** n 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 191 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 311 ASN ** o 490 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 72 HIS p 171 GLN p 191 GLN ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 468 GLN ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN ** q 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 180 HIS ** r 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 105 ASN ** s 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 157 GLN t 257 GLN ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 257 GLN ** u 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** v 497 GLN w 180 HIS w 195 GLN w 215 GLN ** w 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 311 ASN y 90 GLN y 115 GLN ** y 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN z 183 GLN ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN ** z 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 257 GLN ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 505 ASN ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 497 GLN C 157 GLN ** C 180 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** C 240 ASN ** D 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 249 ASN E 262 ASN G 135 ASN ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 412 HIS G 438 ASN ** G 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 337 GLN I 146 HIS ** I 483 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 239 HIS ** J 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 411 GLN ** J 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 23 GLN K 183 GLN ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 255 HIS L 303 HIS L 358 ASN ** L 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 249 ASN ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 306 ASN ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 438 ASN O 327 ASN O 492 GLN P 263 GLN Total number of N/Q/H flips: 73 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7149 moved from start: 0.5406 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.091 153284 Z= 0.249 Angle : 0.724 13.973 207272 Z= 0.393 Chirality : 0.048 0.431 22633 Planarity : 0.005 0.108 27252 Dihedral : 5.786 48.369 21163 Min Nonbonded Distance : 2.064 Molprobity Statistics. All-atom Clashscore : 22.83 Ramachandran Plot: Outliers : 0.16 % Allowed : 7.47 % Favored : 92.37 % Rotamer: Outliers : 0.09 % Allowed : 2.48 % Favored : 97.43 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.15 (0.06), residues: 19365 helix: 0.65 (0.07), residues: 5974 sheet: -1.41 (0.09), residues: 3182 loop : -1.40 (0.06), residues: 10209 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.050 0.003 TRP u 247 HIS 0.017 0.002 HIS z 72 PHE 0.034 0.002 PHE C 350 TYR 0.049 0.002 TYR M 184 ARG 0.053 0.001 ARG r 380 *********************** REFINEMENT MACRO_CYCLE 4 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7265 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 14 poor density : 7251 time to evaluate : 12.101 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.8045 (m-70) cc_final: 0.7541 (m170) REVERT: a 83 GLN cc_start: 0.8518 (tp40) cc_final: 0.7960 (tm-30) REVERT: a 117 MET cc_start: 0.7466 (ttm) cc_final: 0.7219 (ttm) REVERT: a 124 VAL cc_start: 0.8796 (p) cc_final: 0.8536 (m) REVERT: a 134 ASP cc_start: 0.8482 (t0) cc_final: 0.8176 (t0) REVERT: a 142 GLU cc_start: 0.8668 (pt0) cc_final: 0.8396 (pt0) REVERT: a 145 HIS cc_start: 0.8689 (t-90) cc_final: 0.8456 (t-90) REVERT: a 147 MET cc_start: 0.8329 (mmm) cc_final: 0.7714 (mmt) REVERT: a 151 ASP cc_start: 0.8746 (t0) cc_final: 0.8495 (t0) REVERT: a 216 MET cc_start: 0.9713 (ptp) cc_final: 0.9398 (ptt) REVERT: a 256 LYS cc_start: 0.8699 (ptmt) cc_final: 0.8356 (ptmt) REVERT: a 289 GLU cc_start: 0.9221 (tm-30) cc_final: 0.8703 (tm-30) REVERT: a 294 LEU cc_start: 0.9443 (mt) cc_final: 0.9157 (mt) REVERT: a 322 THR cc_start: 0.8519 (p) cc_final: 0.8307 (p) REVERT: a 334 PHE cc_start: 0.9040 (m-80) cc_final: 0.8720 (m-80) REVERT: a 336 ASP cc_start: 0.8222 (t0) cc_final: 0.7695 (t0) REVERT: a 345 TRP cc_start: 0.8796 (p-90) cc_final: 0.8208 (p-90) REVERT: a 350 PHE cc_start: 0.9483 (m-80) cc_final: 0.8911 (m-80) REVERT: a 363 GLU cc_start: 0.9311 (tp30) cc_final: 0.8428 (pt0) REVERT: a 364 ILE cc_start: 0.9556 (mm) cc_final: 0.9329 (mm) REVERT: a 376 ILE cc_start: 0.9222 (tt) cc_final: 0.8999 (tt) REVERT: a 404 PHE cc_start: 0.8194 (m-80) cc_final: 0.7418 (m-80) REVERT: a 423 VAL cc_start: 0.9603 (t) cc_final: 0.9321 (t) REVERT: a 430 LYS cc_start: 0.9277 (mmpt) cc_final: 0.8772 (mmpt) REVERT: a 442 ASN cc_start: 0.8286 (t0) cc_final: 0.8069 (t0) REVERT: a 443 GLU cc_start: 0.8542 (mm-30) cc_final: 0.8318 (tp30) REVERT: a 444 MET cc_start: 0.8856 (ptp) cc_final: 0.8583 (ptp) REVERT: a 449 TYR cc_start: 0.8181 (m-10) cc_final: 0.7807 (m-80) REVERT: a 471 MET cc_start: 0.8163 (ppp) cc_final: 0.7899 (ppp) REVERT: a 481 ILE cc_start: 0.9402 (pt) cc_final: 0.8545 (pt) REVERT: a 482 ASN cc_start: 0.9219 (t0) cc_final: 0.8029 (t0) REVERT: a 490 GLN cc_start: 0.8551 (mm-40) cc_final: 0.8178 (mm-40) REVERT: a 497 GLN cc_start: 0.7725 (mm-40) cc_final: 0.7501 (mm-40) REVERT: a 505 ASN cc_start: 0.8404 (m110) cc_final: 0.8078 (m110) REVERT: b 105 ASN cc_start: 0.8684 (m-40) cc_final: 0.8230 (p0) REVERT: b 110 ASP cc_start: 0.7738 (m-30) cc_final: 0.7465 (m-30) REVERT: b 133 LYS cc_start: 0.7767 (mtpp) cc_final: 0.7263 (tptt) REVERT: b 147 MET cc_start: 0.7678 (mtm) cc_final: 0.7283 (mtm) REVERT: b 199 ASP cc_start: 0.8588 (t0) cc_final: 0.8185 (t0) REVERT: b 207 LYS cc_start: 0.9048 (mttt) cc_final: 0.8775 (mtmt) REVERT: b 209 ASP cc_start: 0.9109 (m-30) cc_final: 0.8572 (m-30) REVERT: b 221 LEU cc_start: 0.9586 (mt) cc_final: 0.8451 (mt) REVERT: b 223 GLU cc_start: 0.7271 (pm20) cc_final: 0.6947 (pm20) REVERT: b 232 ILE cc_start: 0.9400 (mt) cc_final: 0.8861 (mt) REVERT: b 234 GLU cc_start: 0.9077 (tt0) cc_final: 0.8829 (tt0) REVERT: b 247 TRP cc_start: 0.7693 (m100) cc_final: 0.6117 (m100) REVERT: b 252 PHE cc_start: 0.8411 (p90) cc_final: 0.7632 (p90) REVERT: b 285 ASP cc_start: 0.6930 (m-30) cc_final: 0.6603 (p0) REVERT: b 311 ASN cc_start: 0.9312 (m-40) cc_final: 0.9097 (m-40) REVERT: b 334 PHE cc_start: 0.7259 (m-80) cc_final: 0.7056 (m-80) REVERT: b 350 PHE cc_start: 0.9633 (m-10) cc_final: 0.9221 (m-10) REVERT: b 372 GLU cc_start: 0.9196 (tp30) cc_final: 0.8973 (tp30) REVERT: b 375 PHE cc_start: 0.9268 (p90) cc_final: 0.9051 (p90) REVERT: b 390 ASP cc_start: 0.8805 (t70) cc_final: 0.8514 (t70) REVERT: b 404 PHE cc_start: 0.7717 (m-80) cc_final: 0.7473 (m-80) REVERT: b 420 LYS cc_start: 0.8211 (tmtt) cc_final: 0.7925 (tptp) REVERT: b 426 ASP cc_start: 0.8525 (t0) cc_final: 0.7595 (t0) REVERT: b 427 GLN cc_start: 0.9144 (pt0) cc_final: 0.8773 (pt0) REVERT: b 428 TYR cc_start: 0.9267 (m-80) cc_final: 0.8361 (m-80) REVERT: b 442 ASN cc_start: 0.8739 (t0) cc_final: 0.8220 (t0) REVERT: b 466 ASN cc_start: 0.8745 (p0) cc_final: 0.8409 (m-40) REVERT: b 483 PRO cc_start: 0.9527 (Cg_exo) cc_final: 0.9153 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8679 (m-80) cc_final: 0.6766 (m-10) REVERT: b 486 GLU cc_start: 0.9056 (pm20) cc_final: 0.8494 (tm-30) REVERT: b 507 LEU cc_start: 0.7921 (tt) cc_final: 0.7620 (tt) REVERT: b 509 LYS cc_start: 0.9050 (mttt) cc_final: 0.8777 (mttm) REVERT: b 510 ASN cc_start: 0.9408 (t0) cc_final: 0.8462 (p0) REVERT: b 513 PHE cc_start: 0.9088 (m-80) cc_final: 0.8578 (m-80) REVERT: b 517 TYR cc_start: 0.7101 (m-10) cc_final: 0.6752 (m-10) REVERT: c 90 GLN cc_start: 0.8196 (mm-40) cc_final: 0.7860 (mm110) REVERT: c 96 MET cc_start: 0.4189 (ptp) cc_final: 0.3834 (ptt) REVERT: c 107 ILE cc_start: 0.8772 (mt) cc_final: 0.8360 (mt) REVERT: c 131 TYR cc_start: 0.8960 (p90) cc_final: 0.8464 (p90) REVERT: c 144 PHE cc_start: 0.9228 (m-80) cc_final: 0.8943 (m-80) REVERT: c 151 ASP cc_start: 0.8065 (t0) cc_final: 0.7252 (t0) REVERT: c 163 PHE cc_start: 0.8466 (m-10) cc_final: 0.8158 (m-10) REVERT: c 177 ILE cc_start: 0.9509 (mp) cc_final: 0.9155 (tp) REVERT: c 183 GLN cc_start: 0.9277 (tm-30) cc_final: 0.8933 (tm-30) REVERT: c 213 LYS cc_start: 0.9356 (ptpp) cc_final: 0.9043 (pttm) REVERT: c 223 GLU cc_start: 0.9436 (tt0) cc_final: 0.9203 (tp30) REVERT: c 264 ARG cc_start: 0.6533 (mmm160) cc_final: 0.5083 (mmm160) REVERT: c 289 GLU cc_start: 0.9127 (tm-30) cc_final: 0.8437 (tm-30) REVERT: c 293 ILE cc_start: 0.9324 (mt) cc_final: 0.9085 (mt) REVERT: c 294 LEU cc_start: 0.9649 (mt) cc_final: 0.9267 (mt) REVERT: c 301 GLU cc_start: 0.9175 (mt-10) cc_final: 0.8752 (mt-10) REVERT: c 305 GLU cc_start: 0.9424 (tt0) cc_final: 0.8964 (tt0) REVERT: c 333 ASP cc_start: 0.8915 (t0) cc_final: 0.8660 (t0) REVERT: c 336 ASP cc_start: 0.8063 (t0) cc_final: 0.7660 (t0) REVERT: c 348 GLU cc_start: 0.8793 (tt0) cc_final: 0.7775 (mp0) REVERT: c 351 LYS cc_start: 0.9716 (mttm) cc_final: 0.9305 (mttm) REVERT: c 363 GLU cc_start: 0.8560 (tp30) cc_final: 0.8311 (tp30) REVERT: c 390 ASP cc_start: 0.8335 (t0) cc_final: 0.8088 (t0) REVERT: c 400 LEU cc_start: 0.9601 (mt) cc_final: 0.9360 (mt) REVERT: c 417 LEU cc_start: 0.8999 (tp) cc_final: 0.8673 (tp) REVERT: c 463 ASP cc_start: 0.8832 (t0) cc_final: 0.8577 (t0) REVERT: c 477 TYR cc_start: 0.8681 (p90) cc_final: 0.8290 (p90) REVERT: c 490 GLN cc_start: 0.8844 (mp10) cc_final: 0.7211 (mt0) REVERT: c 497 GLN cc_start: 0.8592 (tp-100) cc_final: 0.8389 (tp-100) REVERT: d 96 MET cc_start: 0.8609 (tpp) cc_final: 0.7906 (tpp) REVERT: d 106 LEU cc_start: 0.9079 (mp) cc_final: 0.8797 (mp) REVERT: d 110 ASP cc_start: 0.8350 (m-30) cc_final: 0.8117 (m-30) REVERT: d 128 ARG cc_start: 0.8467 (mtm180) cc_final: 0.7818 (mtm180) REVERT: d 153 MET cc_start: 0.8004 (mtt) cc_final: 0.7793 (mtt) REVERT: d 182 PHE cc_start: 0.8873 (m-80) cc_final: 0.8281 (m-80) REVERT: d 183 GLN cc_start: 0.8796 (tm-30) cc_final: 0.8571 (tm-30) REVERT: d 190 LEU cc_start: 0.9142 (mt) cc_final: 0.8819 (mt) REVERT: d 209 ASP cc_start: 0.8274 (m-30) cc_final: 0.7860 (m-30) REVERT: d 216 MET cc_start: 0.9093 (mtp) cc_final: 0.8735 (mtm) REVERT: d 224 ILE cc_start: 0.8905 (tp) cc_final: 0.8143 (pt) REVERT: d 226 GLU cc_start: 0.7807 (tm-30) cc_final: 0.7430 (tm-30) REVERT: d 228 MET cc_start: 0.7967 (ttm) cc_final: 0.7721 (ttm) REVERT: d 250 MET cc_start: 0.8815 (mpp) cc_final: 0.8291 (mpp) REVERT: d 276 GLN cc_start: 0.9416 (mm-40) cc_final: 0.9178 (mt0) REVERT: d 279 ARG cc_start: 0.8561 (ttm-80) cc_final: 0.8161 (tpp80) REVERT: d 284 MET cc_start: 0.9003 (mmm) cc_final: 0.8492 (mmm) REVERT: d 294 LEU cc_start: 0.9867 (mm) cc_final: 0.9474 (mm) REVERT: d 328 LYS cc_start: 0.8193 (mmpt) cc_final: 0.7929 (tptp) REVERT: d 332 PHE cc_start: 0.9321 (t80) cc_final: 0.8387 (t80) REVERT: d 333 ASP cc_start: 0.7267 (t0) cc_final: 0.6688 (t0) REVERT: d 334 PHE cc_start: 0.7770 (m-80) cc_final: 0.7238 (m-80) REVERT: d 336 ASP cc_start: 0.8555 (t0) cc_final: 0.7884 (t0) REVERT: d 363 GLU cc_start: 0.9244 (tp30) cc_final: 0.8638 (tp30) REVERT: d 384 ASN cc_start: 0.9132 (m-40) cc_final: 0.8905 (m-40) REVERT: d 390 ASP cc_start: 0.8886 (t0) cc_final: 0.8443 (t0) REVERT: d 391 THR cc_start: 0.9336 (p) cc_final: 0.8836 (t) REVERT: d 412 VAL cc_start: 0.9172 (m) cc_final: 0.8736 (m) REVERT: d 424 TYR cc_start: 0.8819 (m-80) cc_final: 0.7683 (m-10) REVERT: d 432 ASP cc_start: 0.8217 (p0) cc_final: 0.7713 (p0) REVERT: d 513 PHE cc_start: 0.9552 (m-80) cc_final: 0.8933 (m-80) REVERT: d 515 ARG cc_start: 0.8814 (tmm160) cc_final: 0.8175 (tmm-80) REVERT: d 518 VAL cc_start: 0.9663 (p) cc_final: 0.9113 (p) REVERT: e 105 ASN cc_start: 0.9319 (t0) cc_final: 0.8836 (m-40) REVERT: e 107 ILE cc_start: 0.8995 (mp) cc_final: 0.8672 (mm) REVERT: e 117 MET cc_start: 0.9431 (mmm) cc_final: 0.9138 (mmm) REVERT: e 123 GLN cc_start: 0.9100 (pt0) cc_final: 0.8875 (pt0) REVERT: e 147 MET cc_start: 0.8716 (mmt) cc_final: 0.8105 (mmm) REVERT: e 195 GLN cc_start: 0.8830 (pm20) cc_final: 0.8210 (mp10) REVERT: e 228 MET cc_start: 0.8679 (ttp) cc_final: 0.8374 (ttp) REVERT: e 250 MET cc_start: 0.8084 (mpp) cc_final: 0.7345 (pmm) REVERT: e 252 PHE cc_start: 0.9451 (p90) cc_final: 0.8779 (p90) REVERT: e 266 LEU cc_start: 0.9666 (mt) cc_final: 0.9328 (mt) REVERT: e 309 TRP cc_start: 0.9261 (m100) cc_final: 0.8817 (m100) REVERT: e 315 GLN cc_start: 0.8062 (mt0) cc_final: 0.7635 (mt0) REVERT: e 321 MET cc_start: 0.7546 (mtm) cc_final: 0.7104 (ptp) REVERT: e 344 ARG cc_start: 0.7845 (mmt180) cc_final: 0.7281 (mmt90) REVERT: e 351 LYS cc_start: 0.8536 (mttm) cc_final: 0.8279 (mttm) REVERT: e 359 LYS cc_start: 0.9463 (mtpt) cc_final: 0.9039 (mtpt) REVERT: e 362 VAL cc_start: 0.9307 (t) cc_final: 0.8969 (t) REVERT: e 380 ARG cc_start: 0.9409 (ptp-170) cc_final: 0.9013 (ptp-170) REVERT: e 390 ASP cc_start: 0.8396 (t0) cc_final: 0.8120 (t70) REVERT: e 391 THR cc_start: 0.9261 (p) cc_final: 0.9057 (p) REVERT: e 405 SER cc_start: 0.8984 (m) cc_final: 0.8577 (p) REVERT: e 426 ASP cc_start: 0.9275 (t0) cc_final: 0.9064 (t0) REVERT: e 452 PRO cc_start: 0.9330 (Cg_endo) cc_final: 0.8846 (Cg_exo) REVERT: e 454 VAL cc_start: 0.8627 (t) cc_final: 0.8331 (t) REVERT: e 463 ASP cc_start: 0.9274 (t0) cc_final: 0.9000 (t0) REVERT: e 471 MET cc_start: 0.7005 (tmm) cc_final: 0.6684 (tmm) REVERT: e 482 ASN cc_start: 0.9193 (t0) cc_final: 0.8671 (t0) REVERT: e 497 GLN cc_start: 0.8829 (mm110) cc_final: 0.8538 (mm-40) REVERT: e 500 MET cc_start: 0.9182 (mtm) cc_final: 0.8981 (mtm) REVERT: e 513 PHE cc_start: 0.9547 (m-80) cc_final: 0.9048 (m-80) REVERT: e 517 TYR cc_start: 0.8554 (m-80) cc_final: 0.8317 (m-80) REVERT: f 96 MET cc_start: 0.8573 (mtm) cc_final: 0.7818 (mtm) REVERT: f 124 VAL cc_start: 0.8958 (p) cc_final: 0.8458 (p) REVERT: f 131 TYR cc_start: 0.8268 (p90) cc_final: 0.8056 (p90) REVERT: f 151 ASP cc_start: 0.9055 (t0) cc_final: 0.8800 (t0) REVERT: f 166 LEU cc_start: 0.9367 (mt) cc_final: 0.9118 (mt) REVERT: f 199 ASP cc_start: 0.8618 (m-30) cc_final: 0.8136 (t0) REVERT: f 211 GLU cc_start: 0.9098 (tp30) cc_final: 0.8718 (tt0) REVERT: f 247 TRP cc_start: 0.8864 (m-10) cc_final: 0.8518 (m100) REVERT: f 259 ILE cc_start: 0.9021 (mt) cc_final: 0.8799 (mt) REVERT: f 274 LEU cc_start: 0.9784 (tp) cc_final: 0.9469 (tp) REVERT: f 277 ASP cc_start: 0.9497 (m-30) cc_final: 0.9122 (p0) REVERT: f 299 MET cc_start: 0.8845 (mmm) cc_final: 0.8637 (mmm) REVERT: f 303 ASN cc_start: 0.8918 (t0) cc_final: 0.8605 (t0) REVERT: f 318 LYS cc_start: 0.9469 (mttm) cc_final: 0.8656 (mttm) REVERT: f 334 PHE cc_start: 0.9243 (m-80) cc_final: 0.8051 (m-80) REVERT: f 335 GLN cc_start: 0.9089 (mp10) cc_final: 0.8389 (tp40) REVERT: f 350 PHE cc_start: 0.9544 (m-80) cc_final: 0.8987 (m-80) REVERT: f 359 LYS cc_start: 0.9449 (tttt) cc_final: 0.9239 (mtmm) REVERT: f 386 LEU cc_start: 0.9772 (mt) cc_final: 0.9562 (mt) REVERT: f 390 ASP cc_start: 0.9262 (t0) cc_final: 0.9027 (t0) REVERT: f 391 THR cc_start: 0.9400 (p) cc_final: 0.9156 (p) REVERT: f 417 LEU cc_start: 0.9525 (tp) cc_final: 0.9255 (tp) REVERT: f 426 ASP cc_start: 0.9042 (t0) cc_final: 0.8639 (t0) REVERT: f 428 TYR cc_start: 0.9510 (m-80) cc_final: 0.8653 (m-80) REVERT: f 442 ASN cc_start: 0.7927 (p0) cc_final: 0.7655 (p0) REVERT: f 462 SER cc_start: 0.9022 (p) cc_final: 0.8487 (t) REVERT: f 463 ASP cc_start: 0.8873 (t0) cc_final: 0.8529 (t70) REVERT: f 510 ASN cc_start: 0.9074 (t0) cc_final: 0.8651 (t0) REVERT: g 123 GLN cc_start: 0.8604 (pt0) cc_final: 0.8249 (pt0) REVERT: g 128 ARG cc_start: 0.8806 (mtt-85) cc_final: 0.8063 (mtt180) REVERT: g 131 TYR cc_start: 0.8538 (p90) cc_final: 0.8065 (p90) REVERT: g 134 ASP cc_start: 0.8535 (t0) cc_final: 0.8184 (t0) REVERT: g 142 GLU cc_start: 0.7776 (tt0) cc_final: 0.7546 (tt0) REVERT: g 144 PHE cc_start: 0.9460 (m-80) cc_final: 0.9245 (m-80) REVERT: g 145 HIS cc_start: 0.9286 (t-90) cc_final: 0.8609 (t-90) REVERT: g 148 TYR cc_start: 0.9065 (m-80) cc_final: 0.8170 (m-80) REVERT: g 161 LYS cc_start: 0.9275 (mmpt) cc_final: 0.9051 (mmmm) REVERT: g 176 ASP cc_start: 0.8286 (t0) cc_final: 0.7651 (p0) REVERT: g 180 HIS cc_start: 0.7937 (t70) cc_final: 0.7710 (t70) REVERT: g 199 ASP cc_start: 0.8120 (t0) cc_final: 0.7796 (t0) REVERT: g 207 LYS cc_start: 0.9097 (mttt) cc_final: 0.8696 (mptt) REVERT: g 212 ILE cc_start: 0.9721 (mt) cc_final: 0.9322 (mt) REVERT: g 216 MET cc_start: 0.9681 (mtm) cc_final: 0.9120 (mtm) REVERT: g 228 MET cc_start: 0.9068 (tpt) cc_final: 0.8626 (mmt) REVERT: g 245 ASN cc_start: 0.8562 (t0) cc_final: 0.8199 (t0) REVERT: g 249 GLU cc_start: 0.7419 (pm20) cc_final: 0.6406 (pm20) REVERT: g 250 MET cc_start: 0.8768 (mtp) cc_final: 0.7629 (ptp) REVERT: g 260 GLU cc_start: 0.7547 (mt-10) cc_final: 0.7218 (mt-10) REVERT: g 266 LEU cc_start: 0.9623 (mt) cc_final: 0.9326 (mt) REVERT: g 270 TYR cc_start: 0.7826 (p90) cc_final: 0.7414 (p90) REVERT: g 273 GLU cc_start: 0.9077 (mp0) cc_final: 0.8070 (tp30) REVERT: g 299 MET cc_start: 0.8753 (ttt) cc_final: 0.8506 (ttt) REVERT: g 311 ASN cc_start: 0.9882 (m-40) cc_final: 0.9555 (t0) REVERT: g 334 PHE cc_start: 0.7825 (t80) cc_final: 0.7603 (t80) REVERT: g 350 PHE cc_start: 0.9513 (m-10) cc_final: 0.8915 (m-10) REVERT: g 351 LYS cc_start: 0.9363 (mmtt) cc_final: 0.9154 (mmtt) REVERT: g 363 GLU cc_start: 0.9534 (tp30) cc_final: 0.9231 (tp30) REVERT: g 366 ARG cc_start: 0.8896 (ttt-90) cc_final: 0.8070 (ttp80) REVERT: g 372 GLU cc_start: 0.8818 (pt0) cc_final: 0.8236 (mt-10) REVERT: g 395 TYR cc_start: 0.6395 (m-10) cc_final: 0.6049 (m-80) REVERT: g 404 PHE cc_start: 0.9274 (m-80) cc_final: 0.8987 (m-80) REVERT: g 426 ASP cc_start: 0.8601 (t0) cc_final: 0.8099 (t0) REVERT: g 442 ASN cc_start: 0.8742 (t0) cc_final: 0.8410 (t0) REVERT: g 449 TYR cc_start: 0.8717 (m-80) cc_final: 0.8156 (m-80) REVERT: g 471 MET cc_start: 0.8366 (mmm) cc_final: 0.8102 (mmm) REVERT: g 476 ARG cc_start: 0.8655 (mtp180) cc_final: 0.8352 (mtp85) REVERT: g 505 ASN cc_start: 0.9025 (t0) cc_final: 0.8766 (t0) REVERT: g 507 LEU cc_start: 0.8869 (tt) cc_final: 0.8650 (tt) REVERT: g 513 PHE cc_start: 0.9517 (m-80) cc_final: 0.9034 (m-80) REVERT: h 72 HIS cc_start: 0.6895 (m-70) cc_final: 0.6593 (m90) REVERT: h 112 CYS cc_start: 0.9282 (m) cc_final: 0.9026 (t) REVERT: h 153 MET cc_start: 0.9128 (mpp) cc_final: 0.8438 (mpp) REVERT: h 166 LEU cc_start: 0.9487 (mt) cc_final: 0.9071 (mt) REVERT: h 180 HIS cc_start: 0.8626 (t-90) cc_final: 0.8346 (t-90) REVERT: h 194 VAL cc_start: 0.8746 (t) cc_final: 0.8537 (p) REVERT: h 198 ILE cc_start: 0.8864 (tt) cc_final: 0.8231 (tt) REVERT: h 211 GLU cc_start: 0.9174 (tp30) cc_final: 0.8650 (tp30) REVERT: h 215 GLN cc_start: 0.9638 (mt0) cc_final: 0.9216 (mm110) REVERT: h 228 MET cc_start: 0.8044 (ptp) cc_final: 0.7596 (ptp) REVERT: h 239 PHE cc_start: 0.8809 (t80) cc_final: 0.8588 (t80) REVERT: h 247 TRP cc_start: 0.8877 (m-10) cc_final: 0.7820 (m100) REVERT: h 250 MET cc_start: 0.9364 (mtm) cc_final: 0.8231 (ptm) REVERT: h 284 MET cc_start: 0.7287 (mmp) cc_final: 0.7045 (mmm) REVERT: h 345 TRP cc_start: 0.8720 (p-90) cc_final: 0.7118 (p-90) REVERT: h 357 ILE cc_start: 0.9679 (mt) cc_final: 0.9373 (mt) REVERT: h 360 GLU cc_start: 0.9588 (mt-10) cc_final: 0.9218 (mt-10) REVERT: h 404 PHE cc_start: 0.6419 (m-80) cc_final: 0.6036 (m-80) REVERT: h 432 ASP cc_start: 0.8053 (t0) cc_final: 0.7429 (t70) REVERT: h 434 PHE cc_start: 0.7909 (p90) cc_final: 0.7547 (p90) REVERT: h 438 TYR cc_start: 0.8101 (t80) cc_final: 0.7889 (t80) REVERT: h 442 ASN cc_start: 0.8108 (t0) cc_final: 0.7892 (t0) REVERT: h 457 THR cc_start: 0.9057 (m) cc_final: 0.8805 (p) REVERT: h 484 PHE cc_start: 0.9103 (m-10) cc_final: 0.8459 (m-80) REVERT: h 504 LEU cc_start: 0.9118 (mt) cc_final: 0.8742 (tt) REVERT: i 71 ASP cc_start: 0.7850 (t0) cc_final: 0.7395 (t0) REVERT: i 103 ILE cc_start: 0.8269 (mt) cc_final: 0.7396 (mt) REVERT: i 110 ASP cc_start: 0.8093 (m-30) cc_final: 0.7628 (m-30) REVERT: i 145 HIS cc_start: 0.8716 (t-90) cc_final: 0.6484 (t-90) REVERT: i 147 MET cc_start: 0.8270 (mmm) cc_final: 0.7592 (mmm) REVERT: i 148 TYR cc_start: 0.8506 (m-80) cc_final: 0.7290 (m-80) REVERT: i 153 MET cc_start: 0.9010 (tpt) cc_final: 0.8800 (mmm) REVERT: i 177 ILE cc_start: 0.9439 (pt) cc_final: 0.9227 (pt) REVERT: i 179 THR cc_start: 0.7737 (p) cc_final: 0.7243 (p) REVERT: i 180 HIS cc_start: 0.8801 (t70) cc_final: 0.8405 (t-90) REVERT: i 191 GLN cc_start: 0.9569 (tt0) cc_final: 0.9144 (tp40) REVERT: i 199 ASP cc_start: 0.7898 (t70) cc_final: 0.7696 (t70) REVERT: i 216 MET cc_start: 0.9478 (mtp) cc_final: 0.9241 (mtp) REVERT: i 250 MET cc_start: 0.7636 (mtm) cc_final: 0.6561 (ptp) REVERT: i 309 TRP cc_start: 0.9419 (m100) cc_final: 0.7884 (m100) REVERT: i 315 GLN cc_start: 0.8388 (mt0) cc_final: 0.8148 (mt0) REVERT: i 323 LEU cc_start: 0.9194 (tp) cc_final: 0.8936 (tp) REVERT: i 332 PHE cc_start: 0.8219 (t80) cc_final: 0.7574 (t80) REVERT: i 333 ASP cc_start: 0.8367 (t0) cc_final: 0.8118 (t0) REVERT: i 336 ASP cc_start: 0.7441 (t0) cc_final: 0.7092 (t0) REVERT: i 348 GLU cc_start: 0.8985 (mt-10) cc_final: 0.8256 (mp0) REVERT: i 351 LYS cc_start: 0.9445 (ttmt) cc_final: 0.9210 (ttmt) REVERT: i 359 LYS cc_start: 0.9725 (ptmt) cc_final: 0.9214 (pptt) REVERT: i 390 ASP cc_start: 0.8990 (t0) cc_final: 0.8557 (t0) REVERT: i 398 GLN cc_start: 0.8521 (tm-30) cc_final: 0.7984 (tm-30) REVERT: i 426 ASP cc_start: 0.8609 (t0) cc_final: 0.8305 (t0) REVERT: i 444 MET cc_start: 0.8837 (mmm) cc_final: 0.7817 (tpp) REVERT: i 448 ILE cc_start: 0.8718 (mm) cc_final: 0.8265 (mm) REVERT: i 477 TYR cc_start: 0.9363 (p90) cc_final: 0.9096 (p90) REVERT: i 513 PHE cc_start: 0.8838 (m-10) cc_final: 0.8377 (m-10) REVERT: j 105 ASN cc_start: 0.9039 (t0) cc_final: 0.8730 (m-40) REVERT: j 117 MET cc_start: 0.7790 (mmt) cc_final: 0.7262 (mmm) REVERT: j 131 TYR cc_start: 0.8988 (p90) cc_final: 0.8709 (p90) REVERT: j 144 PHE cc_start: 0.9058 (m-80) cc_final: 0.7992 (m-80) REVERT: j 147 MET cc_start: 0.8900 (mtt) cc_final: 0.7618 (mmm) REVERT: j 182 PHE cc_start: 0.9327 (m-80) cc_final: 0.8347 (m-80) REVERT: j 209 ASP cc_start: 0.9565 (m-30) cc_final: 0.9125 (m-30) REVERT: j 213 LYS cc_start: 0.9238 (mttt) cc_final: 0.9017 (mttt) REVERT: j 216 MET cc_start: 0.8818 (mmm) cc_final: 0.8350 (mmm) REVERT: j 228 MET cc_start: 0.8094 (ttp) cc_final: 0.7782 (ptm) REVERT: j 250 MET cc_start: 0.8515 (mtp) cc_final: 0.7796 (ptm) REVERT: j 267 LYS cc_start: 0.8871 (ttpt) cc_final: 0.8612 (ttpt) REVERT: j 305 GLU cc_start: 0.9411 (tt0) cc_final: 0.8884 (tt0) REVERT: j 318 LYS cc_start: 0.8834 (tttt) cc_final: 0.7595 (tttm) REVERT: j 336 ASP cc_start: 0.7538 (t0) cc_final: 0.6924 (t0) REVERT: j 351 LYS cc_start: 0.9502 (mttm) cc_final: 0.9089 (mttm) REVERT: j 391 THR cc_start: 0.8749 (p) cc_final: 0.8274 (t) REVERT: j 395 TYR cc_start: 0.7505 (t80) cc_final: 0.7053 (t80) REVERT: j 404 PHE cc_start: 0.7992 (m-80) cc_final: 0.7236 (m-80) REVERT: j 420 LYS cc_start: 0.8790 (tptp) cc_final: 0.8270 (tptp) REVERT: j 448 ILE cc_start: 0.9395 (mm) cc_final: 0.9179 (mm) REVERT: j 484 PHE cc_start: 0.7816 (m-80) cc_final: 0.7515 (m-80) REVERT: j 486 GLU cc_start: 0.8126 (tt0) cc_final: 0.7844 (tt0) REVERT: k 105 ASN cc_start: 0.8575 (m110) cc_final: 0.8252 (m110) REVERT: k 115 GLN cc_start: 0.9288 (tp40) cc_final: 0.8804 (tm-30) REVERT: k 118 ASN cc_start: 0.9513 (p0) cc_final: 0.9308 (p0) REVERT: k 183 GLN cc_start: 0.8789 (mt0) cc_final: 0.8531 (mp10) REVERT: k 187 THR cc_start: 0.8340 (m) cc_final: 0.8010 (p) REVERT: k 189 TYR cc_start: 0.8211 (m-80) cc_final: 0.6710 (m-80) REVERT: k 199 ASP cc_start: 0.6798 (t0) cc_final: 0.6361 (t0) REVERT: k 245 ASN cc_start: 0.5128 (p0) cc_final: 0.4443 (p0) REVERT: k 247 TRP cc_start: 0.8718 (m-90) cc_final: 0.7633 (m-90) REVERT: k 256 LYS cc_start: 0.8576 (ttpt) cc_final: 0.8152 (ttpt) REVERT: k 265 GLN cc_start: 0.8776 (pt0) cc_final: 0.7980 (pt0) REVERT: k 274 LEU cc_start: 0.9562 (tp) cc_final: 0.9312 (tp) REVERT: k 276 GLN cc_start: 0.9498 (mm-40) cc_final: 0.8966 (mm-40) REVERT: k 282 HIS cc_start: 0.8775 (t-170) cc_final: 0.8536 (t-170) REVERT: k 293 ILE cc_start: 0.9151 (OUTLIER) cc_final: 0.8446 (tp) REVERT: k 297 GLU cc_start: 0.9112 (mm-30) cc_final: 0.8374 (mm-30) REVERT: k 299 MET cc_start: 0.8886 (mtp) cc_final: 0.8630 (mtm) REVERT: k 309 TRP cc_start: 0.9206 (m100) cc_final: 0.8192 (m100) REVERT: k 311 ASN cc_start: 0.9663 (m-40) cc_final: 0.9260 (m-40) REVERT: k 318 LYS cc_start: 0.9421 (mmtm) cc_final: 0.9038 (mmmm) REVERT: k 322 THR cc_start: 0.9049 (p) cc_final: 0.8484 (p) REVERT: k 324 THR cc_start: 0.9043 (m) cc_final: 0.8747 (p) REVERT: k 335 GLN cc_start: 0.8808 (mm-40) cc_final: 0.8369 (mm-40) REVERT: k 336 ASP cc_start: 0.8529 (t0) cc_final: 0.8213 (t0) REVERT: k 351 LYS cc_start: 0.9434 (mttm) cc_final: 0.9055 (mttm) REVERT: k 354 LEU cc_start: 0.9594 (mt) cc_final: 0.9306 (mt) REVERT: k 359 LYS cc_start: 0.9578 (tttt) cc_final: 0.9354 (tttt) REVERT: k 366 ARG cc_start: 0.8802 (ptm-80) cc_final: 0.8310 (ptm-80) REVERT: k 367 GLN cc_start: 0.8818 (mt0) cc_final: 0.8265 (mm-40) REVERT: k 384 ASN cc_start: 0.9433 (m-40) cc_final: 0.9206 (m-40) REVERT: k 390 ASP cc_start: 0.9340 (t0) cc_final: 0.9075 (t70) REVERT: k 391 THR cc_start: 0.9463 (p) cc_final: 0.9171 (p) REVERT: k 400 LEU cc_start: 0.9312 (mt) cc_final: 0.9051 (mt) REVERT: k 404 PHE cc_start: 0.9004 (m-80) cc_final: 0.8729 (m-80) REVERT: k 410 LYS cc_start: 0.8695 (mttt) cc_final: 0.8445 (mtmt) REVERT: k 433 TYR cc_start: 0.8690 (p90) cc_final: 0.8233 (p90) REVERT: k 443 GLU cc_start: 0.8799 (tp30) cc_final: 0.7761 (tp30) REVERT: k 444 MET cc_start: 0.8698 (mtp) cc_final: 0.8390 (mmp) REVERT: k 449 TYR cc_start: 0.9188 (m-80) cc_final: 0.8148 (m-80) REVERT: k 471 MET cc_start: 0.7462 (tmm) cc_final: 0.7119 (tmm) REVERT: k 473 PHE cc_start: 0.7926 (m-80) cc_final: 0.6530 (m-80) REVERT: k 481 ILE cc_start: 0.9031 (mp) cc_final: 0.8708 (mp) REVERT: k 482 ASN cc_start: 0.9462 (t0) cc_final: 0.8893 (t0) REVERT: k 486 GLU cc_start: 0.9157 (pp20) cc_final: 0.8905 (pp20) REVERT: k 490 GLN cc_start: 0.9453 (mp10) cc_final: 0.8707 (mm-40) REVERT: k 513 PHE cc_start: 0.9091 (m-80) cc_final: 0.8698 (m-80) REVERT: k 516 VAL cc_start: 0.9046 (m) cc_final: 0.8712 (t) REVERT: l 72 HIS cc_start: 0.8453 (m-70) cc_final: 0.7657 (m90) REVERT: l 74 TYR cc_start: 0.8581 (m-80) cc_final: 0.7918 (m-80) REVERT: l 98 MET cc_start: 0.7505 (ppp) cc_final: 0.7185 (ppp) REVERT: l 145 HIS cc_start: 0.9358 (t-170) cc_final: 0.8265 (t70) REVERT: l 147 MET cc_start: 0.8652 (mmp) cc_final: 0.7980 (mmp) REVERT: l 148 TYR cc_start: 0.8482 (m-10) cc_final: 0.8207 (m-10) REVERT: l 151 ASP cc_start: 0.9000 (t0) cc_final: 0.8545 (t0) REVERT: l 171 GLN cc_start: 0.9281 (pm20) cc_final: 0.8695 (tm-30) REVERT: l 198 ILE cc_start: 0.9515 (tp) cc_final: 0.9176 (tp) REVERT: l 199 ASP cc_start: 0.9006 (t0) cc_final: 0.8080 (t0) REVERT: l 211 GLU cc_start: 0.9083 (tp30) cc_final: 0.8847 (tp30) REVERT: l 245 ASN cc_start: 0.6342 (p0) cc_final: 0.6025 (p0) REVERT: l 247 TRP cc_start: 0.8317 (m100) cc_final: 0.7079 (m100) REVERT: l 267 LYS cc_start: 0.8599 (ttpt) cc_final: 0.8252 (ttpt) REVERT: l 301 GLU cc_start: 0.8241 (tt0) cc_final: 0.7610 (tt0) REVERT: l 309 TRP cc_start: 0.9025 (m100) cc_final: 0.7951 (m100) REVERT: l 312 TYR cc_start: 0.8986 (t80) cc_final: 0.8771 (t80) REVERT: l 334 PHE cc_start: 0.8705 (m-80) cc_final: 0.8293 (m-80) REVERT: l 350 PHE cc_start: 0.9661 (m-80) cc_final: 0.9242 (m-80) REVERT: l 356 GLN cc_start: 0.9358 (tp40) cc_final: 0.8988 (tp40) REVERT: l 363 GLU cc_start: 0.9271 (tp30) cc_final: 0.8691 (tp30) REVERT: l 366 ARG cc_start: 0.8942 (ttt-90) cc_final: 0.8646 (tmm-80) REVERT: l 370 ARG cc_start: 0.8956 (mmp-170) cc_final: 0.8562 (mmm160) REVERT: l 381 ASN cc_start: 0.9388 (m-40) cc_final: 0.8571 (p0) REVERT: l 386 LEU cc_start: 0.9568 (mt) cc_final: 0.9267 (mt) REVERT: l 390 ASP cc_start: 0.8509 (t70) cc_final: 0.8233 (t70) REVERT: l 404 PHE cc_start: 0.9213 (m-80) cc_final: 0.9009 (m-80) REVERT: l 420 LYS cc_start: 0.9238 (tptp) cc_final: 0.8832 (tppt) REVERT: l 432 ASP cc_start: 0.7560 (t0) cc_final: 0.4937 (t0) REVERT: l 434 PHE cc_start: 0.8254 (p90) cc_final: 0.7797 (p90) REVERT: l 442 ASN cc_start: 0.8743 (t0) cc_final: 0.8456 (p0) REVERT: l 443 GLU cc_start: 0.8641 (mt-10) cc_final: 0.8311 (mt-10) REVERT: l 466 ASN cc_start: 0.9537 (p0) cc_final: 0.9039 (p0) REVERT: l 468 GLN cc_start: 0.8607 (mm-40) cc_final: 0.8240 (mm-40) REVERT: l 481 ILE cc_start: 0.9065 (pt) cc_final: 0.8377 (pt) REVERT: l 500 MET cc_start: 0.9010 (ptp) cc_final: 0.8652 (mtp) REVERT: l 512 TYR cc_start: 0.9353 (m-80) cc_final: 0.8852 (m-10) REVERT: m 78 ASN cc_start: 0.8356 (p0) cc_final: 0.8114 (p0) REVERT: m 101 ARG cc_start: 0.7933 (mtp85) cc_final: 0.7641 (mmp80) REVERT: m 105 ASN cc_start: 0.8045 (m-40) cc_final: 0.7799 (m-40) REVERT: m 110 ASP cc_start: 0.8423 (m-30) cc_final: 0.7667 (t0) REVERT: m 131 TYR cc_start: 0.9236 (p90) cc_final: 0.8584 (p90) REVERT: m 157 GLN cc_start: 0.7701 (pp30) cc_final: 0.7056 (pp30) REVERT: m 161 LYS cc_start: 0.8993 (tmtt) cc_final: 0.8693 (tmtt) REVERT: m 163 PHE cc_start: 0.8972 (m-80) cc_final: 0.8648 (m-80) REVERT: m 216 MET cc_start: 0.9296 (mtp) cc_final: 0.8952 (mtp) REVERT: m 284 MET cc_start: 0.8093 (mtm) cc_final: 0.7446 (mtt) REVERT: m 289 GLU cc_start: 0.9373 (mm-30) cc_final: 0.8787 (mp0) REVERT: m 297 GLU cc_start: 0.9355 (mt-10) cc_final: 0.8986 (mt-10) REVERT: m 309 TRP cc_start: 0.9220 (m100) cc_final: 0.8858 (m100) REVERT: m 332 PHE cc_start: 0.8953 (t80) cc_final: 0.8459 (t80) REVERT: m 363 GLU cc_start: 0.9104 (pp20) cc_final: 0.8692 (pp20) REVERT: m 375 PHE cc_start: 0.9238 (p90) cc_final: 0.8852 (p90) REVERT: m 390 ASP cc_start: 0.8876 (t0) cc_final: 0.8600 (t70) REVERT: m 400 LEU cc_start: 0.9141 (mt) cc_final: 0.8793 (mt) REVERT: m 432 ASP cc_start: 0.7196 (t0) cc_final: 0.6924 (t0) REVERT: m 439 LYS cc_start: 0.9010 (tmmt) cc_final: 0.8695 (ttpt) REVERT: m 449 TYR cc_start: 0.8850 (m-80) cc_final: 0.7931 (m-80) REVERT: m 463 ASP cc_start: 0.9126 (t0) cc_final: 0.8865 (t0) REVERT: m 468 GLN cc_start: 0.9012 (mm-40) cc_final: 0.8687 (mm-40) REVERT: m 473 PHE cc_start: 0.9086 (m-80) cc_final: 0.8433 (m-80) REVERT: m 481 ILE cc_start: 0.9414 (mp) cc_final: 0.9172 (mp) REVERT: m 482 ASN cc_start: 0.9521 (t0) cc_final: 0.8786 (t0) REVERT: m 484 PHE cc_start: 0.8475 (m-80) cc_final: 0.8018 (m-10) REVERT: m 500 MET cc_start: 0.9331 (mtm) cc_final: 0.9053 (mpp) REVERT: m 515 ARG cc_start: 0.7092 (mtp180) cc_final: 0.6675 (ttt180) REVERT: m 517 TYR cc_start: 0.8592 (m-80) cc_final: 0.7960 (m-10) REVERT: n 96 MET cc_start: 0.7824 (tpt) cc_final: 0.7533 (tpt) REVERT: n 117 MET cc_start: 0.8285 (mtm) cc_final: 0.7998 (mtm) REVERT: n 145 HIS cc_start: 0.7864 (t-90) cc_final: 0.6277 (t-90) REVERT: n 148 TYR cc_start: 0.7994 (m-10) cc_final: 0.6291 (m-10) REVERT: n 153 MET cc_start: 0.8769 (mpp) cc_final: 0.8547 (mpp) REVERT: n 154 PHE cc_start: 0.8755 (t80) cc_final: 0.8392 (t80) REVERT: n 163 PHE cc_start: 0.8824 (m-80) cc_final: 0.8593 (m-80) REVERT: n 187 THR cc_start: 0.8665 (m) cc_final: 0.8447 (m) REVERT: n 211 GLU cc_start: 0.8662 (mm-30) cc_final: 0.8349 (mm-30) REVERT: n 226 GLU cc_start: 0.8226 (tt0) cc_final: 0.8026 (tt0) REVERT: n 253 ARG cc_start: 0.7996 (ptm-80) cc_final: 0.7149 (ptt90) REVERT: n 319 SER cc_start: 0.9774 (t) cc_final: 0.9569 (m) REVERT: n 333 ASP cc_start: 0.8561 (t0) cc_final: 0.7921 (t0) REVERT: n 336 ASP cc_start: 0.8957 (t0) cc_final: 0.8519 (t0) REVERT: n 353 LEU cc_start: 0.9653 (tp) cc_final: 0.9408 (tp) REVERT: n 356 GLN cc_start: 0.9363 (mm110) cc_final: 0.8816 (mm110) REVERT: n 359 LYS cc_start: 0.9750 (tttp) cc_final: 0.9435 (tttp) REVERT: n 360 GLU cc_start: 0.9550 (mm-30) cc_final: 0.8843 (mm-30) REVERT: n 368 THR cc_start: 0.8473 (t) cc_final: 0.7679 (t) REVERT: n 385 VAL cc_start: 0.9926 (t) cc_final: 0.9723 (p) REVERT: n 398 GLN cc_start: 0.9358 (tm-30) cc_final: 0.8746 (tm-30) REVERT: n 406 THR cc_start: 0.8956 (p) cc_final: 0.8741 (t) REVERT: n 426 ASP cc_start: 0.8862 (t0) cc_final: 0.8554 (t0) REVERT: n 434 PHE cc_start: 0.9430 (p90) cc_final: 0.9205 (p90) REVERT: n 442 ASN cc_start: 0.9049 (t0) cc_final: 0.8564 (t0) REVERT: n 443 GLU cc_start: 0.8824 (pp20) cc_final: 0.8565 (tm-30) REVERT: n 453 TYR cc_start: 0.8470 (t80) cc_final: 0.8033 (t80) REVERT: n 505 ASN cc_start: 0.8996 (t0) cc_final: 0.8591 (t0) REVERT: n 513 PHE cc_start: 0.9350 (m-80) cc_final: 0.8884 (m-80) REVERT: o 145 HIS cc_start: 0.8445 (t-90) cc_final: 0.8143 (t-90) REVERT: o 153 MET cc_start: 0.7618 (mmm) cc_final: 0.6812 (mmm) REVERT: o 154 PHE cc_start: 0.8575 (t80) cc_final: 0.8062 (t80) REVERT: o 184 GLU cc_start: 0.8776 (tp30) cc_final: 0.8215 (tp30) REVERT: o 191 GLN cc_start: 0.9028 (tt0) cc_final: 0.8819 (tp-100) REVERT: o 198 ILE cc_start: 0.9579 (tp) cc_final: 0.8836 (tp) REVERT: o 211 GLU cc_start: 0.9326 (tp30) cc_final: 0.8940 (tm-30) REVERT: o 212 ILE cc_start: 0.9677 (mt) cc_final: 0.9430 (mt) REVERT: o 213 LYS cc_start: 0.9533 (ptmm) cc_final: 0.9264 (ptmt) REVERT: o 250 MET cc_start: 0.7982 (mtm) cc_final: 0.7236 (mmm) REVERT: o 309 TRP cc_start: 0.8710 (m100) cc_final: 0.8283 (m100) REVERT: o 311 ASN cc_start: 0.9604 (m110) cc_final: 0.9371 (t0) REVERT: o 334 PHE cc_start: 0.9166 (m-80) cc_final: 0.8607 (m-80) REVERT: o 348 GLU cc_start: 0.8826 (mt-10) cc_final: 0.8511 (mt-10) REVERT: o 350 PHE cc_start: 0.8022 (p90) cc_final: 0.7180 (p90) REVERT: o 351 LYS cc_start: 0.9255 (mttm) cc_final: 0.8606 (mttm) REVERT: o 354 LEU cc_start: 0.9268 (tp) cc_final: 0.8964 (tp) REVERT: o 360 GLU cc_start: 0.9577 (mm-30) cc_final: 0.8266 (mm-30) REVERT: o 372 GLU cc_start: 0.9213 (pm20) cc_final: 0.8854 (pt0) REVERT: o 400 LEU cc_start: 0.8695 (mt) cc_final: 0.8190 (mt) REVERT: o 404 PHE cc_start: 0.7573 (m-80) cc_final: 0.7020 (m-80) REVERT: o 428 TYR cc_start: 0.9476 (m-80) cc_final: 0.9011 (m-10) REVERT: o 453 TYR cc_start: 0.8628 (t80) cc_final: 0.8166 (t80) REVERT: o 473 PHE cc_start: 0.8573 (p90) cc_final: 0.8075 (p90) REVERT: o 479 ILE cc_start: 0.8329 (pt) cc_final: 0.8097 (pt) REVERT: o 500 MET cc_start: 0.9111 (mmp) cc_final: 0.8259 (mmp) REVERT: o 510 ASN cc_start: 0.9019 (t0) cc_final: 0.7948 (t0) REVERT: o 513 PHE cc_start: 0.9342 (m-80) cc_final: 0.8654 (m-80) REVERT: p 96 MET cc_start: 0.8431 (mtm) cc_final: 0.7921 (mtm) REVERT: p 101 ARG cc_start: 0.8576 (mmm-85) cc_final: 0.7925 (tpp80) REVERT: p 117 MET cc_start: 0.8891 (mmp) cc_final: 0.8680 (mmm) REVERT: p 144 PHE cc_start: 0.9421 (m-80) cc_final: 0.9207 (m-80) REVERT: p 151 ASP cc_start: 0.7476 (t0) cc_final: 0.7169 (t0) REVERT: p 153 MET cc_start: 0.9449 (mtp) cc_final: 0.9135 (mtp) REVERT: p 157 GLN cc_start: 0.9002 (tp40) cc_final: 0.8562 (tp-100) REVERT: p 161 LYS cc_start: 0.9212 (pttt) cc_final: 0.8917 (pttp) REVERT: p 176 ASP cc_start: 0.8766 (t0) cc_final: 0.8549 (t70) REVERT: p 199 ASP cc_start: 0.6445 (t0) cc_final: 0.6142 (t0) REVERT: p 250 MET cc_start: 0.8896 (pmm) cc_final: 0.8607 (pmm) REVERT: p 267 LYS cc_start: 0.7285 (tppt) cc_final: 0.6278 (mttp) REVERT: p 274 LEU cc_start: 0.9501 (tp) cc_final: 0.9293 (tp) REVERT: p 276 GLN cc_start: 0.9327 (mt0) cc_final: 0.8766 (mt0) REVERT: p 278 LEU cc_start: 0.9553 (tp) cc_final: 0.9284 (tp) REVERT: p 284 MET cc_start: 0.7571 (mpp) cc_final: 0.6830 (mpp) REVERT: p 289 GLU cc_start: 0.9196 (mm-30) cc_final: 0.8941 (mp0) REVERT: p 318 LYS cc_start: 0.9400 (ttmt) cc_final: 0.8330 (tppt) REVERT: p 321 MET cc_start: 0.8962 (mmm) cc_final: 0.8600 (mmm) REVERT: p 363 GLU cc_start: 0.9256 (tp30) cc_final: 0.8962 (tp30) REVERT: p 366 ARG cc_start: 0.9299 (ttt180) cc_final: 0.9006 (ttt-90) REVERT: p 391 THR cc_start: 0.9227 (p) cc_final: 0.8585 (t) REVERT: p 404 PHE cc_start: 0.8448 (m-80) cc_final: 0.8176 (m-80) REVERT: p 412 VAL cc_start: 0.9521 (m) cc_final: 0.8925 (m) REVERT: p 413 PHE cc_start: 0.7382 (t80) cc_final: 0.7009 (t80) REVERT: p 484 PHE cc_start: 0.8523 (m-10) cc_final: 0.8257 (m-10) REVERT: q 98 MET cc_start: 0.7831 (ptt) cc_final: 0.7402 (ptm) REVERT: q 101 ARG cc_start: 0.7863 (tpp-160) cc_final: 0.6774 (tpp80) REVERT: q 106 LEU cc_start: 0.9493 (pp) cc_final: 0.9258 (pp) REVERT: q 112 CYS cc_start: 0.8426 (p) cc_final: 0.8139 (p) REVERT: q 115 GLN cc_start: 0.9212 (mm110) cc_final: 0.8980 (mt0) REVERT: q 123 GLN cc_start: 0.9007 (pt0) cc_final: 0.8382 (pt0) REVERT: q 145 HIS cc_start: 0.8801 (t-170) cc_final: 0.8478 (t-170) REVERT: q 147 MET cc_start: 0.8884 (mmp) cc_final: 0.8224 (mmp) REVERT: q 153 MET cc_start: 0.8469 (mtp) cc_final: 0.7415 (ttm) REVERT: q 163 PHE cc_start: 0.7942 (m-10) cc_final: 0.7473 (m-10) REVERT: q 172 THR cc_start: 0.8937 (p) cc_final: 0.8526 (p) REVERT: q 176 ASP cc_start: 0.9008 (t0) cc_final: 0.8490 (t70) REVERT: q 178 TYR cc_start: 0.8136 (m-80) cc_final: 0.7074 (m-10) REVERT: q 182 PHE cc_start: 0.9006 (m-80) cc_final: 0.8655 (m-80) REVERT: q 213 LYS cc_start: 0.8737 (mtmt) cc_final: 0.8401 (mttm) REVERT: q 215 GLN cc_start: 0.9417 (mp-120) cc_final: 0.9174 (mm110) REVERT: q 217 GLU cc_start: 0.9272 (pp20) cc_final: 0.8829 (pp20) REVERT: q 250 MET cc_start: 0.8345 (mtm) cc_final: 0.8040 (mpp) REVERT: q 256 LYS cc_start: 0.8785 (ptmt) cc_final: 0.8475 (ptmt) REVERT: q 265 GLN cc_start: 0.9442 (pm20) cc_final: 0.9235 (pm20) REVERT: q 312 TYR cc_start: 0.9355 (t80) cc_final: 0.9146 (t80) REVERT: q 328 LYS cc_start: 0.9547 (tptm) cc_final: 0.9344 (tppt) REVERT: q 363 GLU cc_start: 0.9196 (tp30) cc_final: 0.8774 (tp30) REVERT: q 406 THR cc_start: 0.9466 (p) cc_final: 0.9168 (t) REVERT: q 420 LYS cc_start: 0.8588 (tppt) cc_final: 0.8355 (tptm) REVERT: q 426 ASP cc_start: 0.8675 (t0) cc_final: 0.8208 (t0) REVERT: q 430 LYS cc_start: 0.9496 (mmtm) cc_final: 0.9258 (mmmt) REVERT: q 445 ASP cc_start: 0.9223 (t0) cc_final: 0.8862 (t0) REVERT: q 453 TYR cc_start: 0.8688 (t80) cc_final: 0.8424 (t80) REVERT: q 510 ASN cc_start: 0.9423 (t0) cc_final: 0.9213 (t0) REVERT: q 513 PHE cc_start: 0.9559 (m-10) cc_final: 0.9154 (m-10) REVERT: q 515 ARG cc_start: 0.8411 (ptt180) cc_final: 0.7948 (ttp-170) REVERT: r 68 ILE cc_start: 0.8464 (pt) cc_final: 0.7622 (mm) REVERT: r 134 ASP cc_start: 0.8747 (t0) cc_final: 0.8286 (t0) REVERT: r 151 ASP cc_start: 0.9235 (t0) cc_final: 0.8604 (t0) REVERT: r 176 ASP cc_start: 0.9243 (m-30) cc_final: 0.8849 (m-30) REVERT: r 185 THR cc_start: 0.8886 (p) cc_final: 0.8039 (p) REVERT: r 189 TYR cc_start: 0.8610 (m-80) cc_final: 0.7813 (m-80) REVERT: r 191 GLN cc_start: 0.9094 (tt0) cc_final: 0.8743 (tt0) REVERT: r 194 VAL cc_start: 0.9244 (t) cc_final: 0.8892 (p) REVERT: r 213 LYS cc_start: 0.8887 (mtpt) cc_final: 0.8503 (mtpt) REVERT: r 214 LYS cc_start: 0.9383 (mttt) cc_final: 0.9153 (mtpp) REVERT: r 216 MET cc_start: 0.8959 (mtp) cc_final: 0.8472 (mtp) REVERT: r 262 LYS cc_start: 0.8671 (mttt) cc_final: 0.8077 (mtpt) REVERT: r 274 LEU cc_start: 0.9465 (tp) cc_final: 0.9191 (tp) REVERT: r 293 ILE cc_start: 0.9572 (mt) cc_final: 0.9289 (mt) REVERT: r 297 GLU cc_start: 0.9083 (mm-30) cc_final: 0.8415 (mm-30) REVERT: r 300 LEU cc_start: 0.9400 (mt) cc_final: 0.9058 (mt) REVERT: r 309 TRP cc_start: 0.9253 (m100) cc_final: 0.8119 (m100) REVERT: r 321 MET cc_start: 0.9527 (mtm) cc_final: 0.9123 (ptp) REVERT: r 345 TRP cc_start: 0.8767 (p-90) cc_final: 0.8038 (p-90) REVERT: r 350 PHE cc_start: 0.9395 (m-10) cc_final: 0.9174 (m-80) REVERT: r 356 GLN cc_start: 0.9532 (tp40) cc_final: 0.9180 (tp-100) REVERT: r 390 ASP cc_start: 0.8229 (t0) cc_final: 0.7748 (t0) REVERT: r 404 PHE cc_start: 0.9062 (m-80) cc_final: 0.8148 (m-80) REVERT: r 405 SER cc_start: 0.9508 (t) cc_final: 0.9283 (p) REVERT: r 406 THR cc_start: 0.9266 (p) cc_final: 0.9015 (t) REVERT: r 413 PHE cc_start: 0.8137 (t80) cc_final: 0.7740 (t80) REVERT: r 420 LYS cc_start: 0.9200 (ttmm) cc_final: 0.8899 (ttmm) REVERT: r 442 ASN cc_start: 0.8785 (t0) cc_final: 0.8507 (t0) REVERT: r 484 PHE cc_start: 0.8252 (m-10) cc_final: 0.7882 (m-80) REVERT: r 497 GLN cc_start: 0.8310 (pt0) cc_final: 0.7483 (pt0) REVERT: r 515 ARG cc_start: 0.8595 (ttp80) cc_final: 0.8021 (ttp80) REVERT: s 90 GLN cc_start: 0.9271 (mm-40) cc_final: 0.8789 (mp10) REVERT: s 98 MET cc_start: 0.7180 (ppp) cc_final: 0.5239 (tmm) REVERT: s 117 MET cc_start: 0.7275 (mtm) cc_final: 0.7072 (mtm) REVERT: s 125 PHE cc_start: 0.8466 (m-80) cc_final: 0.7190 (m-80) REVERT: s 134 ASP cc_start: 0.8951 (t0) cc_final: 0.8551 (t0) REVERT: s 147 MET cc_start: 0.9151 (ttt) cc_final: 0.8641 (mmm) REVERT: s 151 ASP cc_start: 0.8500 (t0) cc_final: 0.8089 (t0) REVERT: s 153 MET cc_start: 0.9768 (mmt) cc_final: 0.9401 (mmm) REVERT: s 157 GLN cc_start: 0.8874 (tp-100) cc_final: 0.8107 (tp-100) REVERT: s 184 GLU cc_start: 0.8986 (tt0) cc_final: 0.8111 (tt0) REVERT: s 189 TYR cc_start: 0.8354 (m-80) cc_final: 0.7893 (m-80) REVERT: s 212 ILE cc_start: 0.9776 (mt) cc_final: 0.9414 (mt) REVERT: s 213 LYS cc_start: 0.8945 (mtmt) cc_final: 0.8604 (mttm) REVERT: s 216 MET cc_start: 0.9557 (mtt) cc_final: 0.9327 (mtt) REVERT: s 222 VAL cc_start: 0.9591 (t) cc_final: 0.9298 (p) REVERT: s 223 GLU cc_start: 0.8805 (pm20) cc_final: 0.8055 (tp30) REVERT: s 235 LEU cc_start: 0.8413 (tp) cc_final: 0.8128 (pp) REVERT: s 265 GLN cc_start: 0.8965 (pt0) cc_final: 0.7439 (pt0) REVERT: s 277 ASP cc_start: 0.9590 (m-30) cc_final: 0.9352 (m-30) REVERT: s 299 MET cc_start: 0.9078 (mtm) cc_final: 0.8554 (ptp) REVERT: s 304 ARG cc_start: 0.9175 (tpp80) cc_final: 0.8952 (mmm160) REVERT: s 309 TRP cc_start: 0.8754 (m100) cc_final: 0.8524 (m100) REVERT: s 311 ASN cc_start: 0.9534 (m-40) cc_final: 0.8977 (t0) REVERT: s 322 THR cc_start: 0.8924 (p) cc_final: 0.8543 (p) REVERT: s 333 ASP cc_start: 0.8787 (t0) cc_final: 0.8574 (t0) REVERT: s 334 PHE cc_start: 0.9067 (m-80) cc_final: 0.8429 (m-80) REVERT: s 336 ASP cc_start: 0.8495 (t0) cc_final: 0.8244 (t0) REVERT: s 345 TRP cc_start: 0.9077 (p-90) cc_final: 0.8541 (p-90) REVERT: s 350 PHE cc_start: 0.9480 (m-80) cc_final: 0.9111 (m-10) REVERT: s 367 GLN cc_start: 0.9217 (mt0) cc_final: 0.8125 (mm110) REVERT: s 370 ARG cc_start: 0.9236 (mmm160) cc_final: 0.8952 (mmm-85) REVERT: s 372 GLU cc_start: 0.8892 (tt0) cc_final: 0.8597 (tt0) REVERT: s 404 PHE cc_start: 0.8582 (m-80) cc_final: 0.7213 (m-80) REVERT: s 413 PHE cc_start: 0.9111 (t80) cc_final: 0.8825 (t80) REVERT: s 432 ASP cc_start: 0.8078 (t0) cc_final: 0.7537 (t0) REVERT: s 434 PHE cc_start: 0.9219 (p90) cc_final: 0.8817 (p90) REVERT: s 436 VAL cc_start: 0.9776 (m) cc_final: 0.9517 (m) REVERT: s 481 ILE cc_start: 0.9096 (mm) cc_final: 0.8657 (mm) REVERT: s 482 ASN cc_start: 0.8256 (t0) cc_final: 0.7462 (t0) REVERT: s 497 GLN cc_start: 0.7834 (mt0) cc_final: 0.7344 (mp10) REVERT: s 500 MET cc_start: 0.8954 (ttm) cc_final: 0.8707 (mmm) REVERT: s 510 ASN cc_start: 0.9247 (t0) cc_final: 0.8844 (t0) REVERT: s 514 ARG cc_start: 0.8390 (mtp85) cc_final: 0.7289 (tpp80) REVERT: t 96 MET cc_start: 0.8442 (mmp) cc_final: 0.8152 (mmm) REVERT: t 110 ASP cc_start: 0.7774 (m-30) cc_final: 0.7429 (t0) REVERT: t 131 TYR cc_start: 0.8278 (p90) cc_final: 0.8043 (p90) REVERT: t 142 GLU cc_start: 0.6647 (tt0) cc_final: 0.6383 (tt0) REVERT: t 144 PHE cc_start: 0.7994 (m-10) cc_final: 0.7761 (m-10) REVERT: t 147 MET cc_start: 0.8291 (mmt) cc_final: 0.7830 (mmt) REVERT: t 153 MET cc_start: 0.9264 (mtp) cc_final: 0.8999 (mtm) REVERT: t 154 PHE cc_start: 0.9125 (t80) cc_final: 0.8639 (t80) REVERT: t 166 LEU cc_start: 0.9230 (mt) cc_final: 0.8964 (mt) REVERT: t 183 GLN cc_start: 0.9076 (tp-100) cc_final: 0.8124 (pp30) REVERT: t 228 MET cc_start: 0.8654 (ptt) cc_final: 0.8296 (ptt) REVERT: t 255 ASP cc_start: 0.7263 (m-30) cc_final: 0.6575 (m-30) REVERT: t 260 GLU cc_start: 0.7998 (tt0) cc_final: 0.7280 (tt0) REVERT: t 272 ILE cc_start: 0.9067 (mt) cc_final: 0.8858 (mp) REVERT: t 299 MET cc_start: 0.8902 (mtp) cc_final: 0.8467 (mtm) REVERT: t 305 GLU cc_start: 0.8903 (mt-10) cc_final: 0.8141 (mt-10) REVERT: t 318 LYS cc_start: 0.9362 (mtpp) cc_final: 0.8564 (mtpp) REVERT: t 321 MET cc_start: 0.8677 (tpp) cc_final: 0.8379 (tpt) REVERT: t 350 PHE cc_start: 0.9632 (m-10) cc_final: 0.8813 (m-10) REVERT: t 356 GLN cc_start: 0.9287 (tp40) cc_final: 0.8784 (tp-100) REVERT: t 359 LYS cc_start: 0.9636 (tttp) cc_final: 0.9228 (mtmt) REVERT: t 360 GLU cc_start: 0.9513 (mt-10) cc_final: 0.9095 (mt-10) REVERT: t 363 GLU cc_start: 0.9162 (tp30) cc_final: 0.8916 (tp30) REVERT: t 364 ILE cc_start: 0.9608 (mt) cc_final: 0.9361 (mt) REVERT: t 375 PHE cc_start: 0.9523 (p90) cc_final: 0.9205 (p90) REVERT: t 381 ASN cc_start: 0.8929 (m-40) cc_final: 0.8413 (p0) REVERT: t 385 VAL cc_start: 0.9717 (t) cc_final: 0.9265 (p) REVERT: t 400 LEU cc_start: 0.9453 (mt) cc_final: 0.9204 (mt) REVERT: t 413 PHE cc_start: 0.8867 (t80) cc_final: 0.8422 (t80) REVERT: t 426 ASP cc_start: 0.9332 (t0) cc_final: 0.9030 (t0) REVERT: t 453 TYR cc_start: 0.6828 (t80) cc_final: 0.6482 (t80) REVERT: t 481 ILE cc_start: 0.9314 (mt) cc_final: 0.8851 (mp) REVERT: t 484 PHE cc_start: 0.7162 (m-80) cc_final: 0.6515 (m-80) REVERT: t 510 ASN cc_start: 0.9348 (t0) cc_final: 0.8747 (p0) REVERT: u 71 ASP cc_start: 0.7624 (t0) cc_final: 0.6995 (t0) REVERT: u 75 ASN cc_start: 0.8729 (t0) cc_final: 0.8457 (t0) REVERT: u 105 ASN cc_start: 0.8525 (m-40) cc_final: 0.7835 (t0) REVERT: u 117 MET cc_start: 0.8845 (mmm) cc_final: 0.8418 (mmm) REVERT: u 147 MET cc_start: 0.8748 (mtm) cc_final: 0.8446 (mtm) REVERT: u 148 TYR cc_start: 0.8758 (m-80) cc_final: 0.7753 (m-80) REVERT: u 153 MET cc_start: 0.7966 (mmm) cc_final: 0.7726 (mmt) REVERT: u 157 GLN cc_start: 0.8499 (tm-30) cc_final: 0.8176 (tm-30) REVERT: u 166 LEU cc_start: 0.8795 (mp) cc_final: 0.8554 (mp) REVERT: u 172 THR cc_start: 0.9415 (p) cc_final: 0.9019 (t) REVERT: u 188 VAL cc_start: 0.8840 (p) cc_final: 0.8482 (p) REVERT: u 199 ASP cc_start: 0.5983 (t0) cc_final: 0.5610 (t0) REVERT: u 204 ASP cc_start: 0.8746 (t0) cc_final: 0.8514 (t0) REVERT: u 216 MET cc_start: 0.9498 (tmm) cc_final: 0.9074 (tpp) REVERT: u 221 LEU cc_start: 0.9534 (mt) cc_final: 0.9212 (mt) REVERT: u 228 MET cc_start: 0.8993 (tpp) cc_final: 0.8445 (tpp) REVERT: u 240 ASN cc_start: 0.8110 (m110) cc_final: 0.7842 (m110) REVERT: u 250 MET cc_start: 0.8224 (mmm) cc_final: 0.7409 (mmm) REVERT: u 256 LYS cc_start: 0.5840 (pttt) cc_final: 0.5619 (pttt) REVERT: u 294 LEU cc_start: 0.9375 (pp) cc_final: 0.9066 (mp) REVERT: u 309 TRP cc_start: 0.9015 (m100) cc_final: 0.7842 (m100) REVERT: u 311 ASN cc_start: 0.9379 (m-40) cc_final: 0.8898 (m-40) REVERT: u 351 LYS cc_start: 0.9329 (mmmt) cc_final: 0.9107 (mttt) REVERT: u 356 GLN cc_start: 0.9344 (tp40) cc_final: 0.8958 (tp-100) REVERT: u 391 THR cc_start: 0.8667 (p) cc_final: 0.8395 (p) REVERT: u 404 PHE cc_start: 0.7912 (m-80) cc_final: 0.7211 (m-80) REVERT: u 426 ASP cc_start: 0.9564 (t0) cc_final: 0.9258 (t0) REVERT: u 428 TYR cc_start: 0.8996 (m-10) cc_final: 0.8698 (m-10) REVERT: u 433 TYR cc_start: 0.8476 (p90) cc_final: 0.7921 (p90) REVERT: u 459 LEU cc_start: 0.5076 (tp) cc_final: 0.4526 (tp) REVERT: u 481 ILE cc_start: 0.9174 (pt) cc_final: 0.8855 (pt) REVERT: u 510 ASN cc_start: 0.9477 (t0) cc_final: 0.8413 (p0) REVERT: u 515 ARG cc_start: 0.7237 (ttt180) cc_final: 0.5917 (ttt180) REVERT: v 90 GLN cc_start: 0.8975 (mm-40) cc_final: 0.8456 (mp10) REVERT: v 101 ARG cc_start: 0.8338 (mmt90) cc_final: 0.7425 (mmt90) REVERT: v 142 GLU cc_start: 0.8598 (tt0) cc_final: 0.8294 (tt0) REVERT: v 144 PHE cc_start: 0.7051 (m-80) cc_final: 0.6744 (m-80) REVERT: v 145 HIS cc_start: 0.8861 (t-90) cc_final: 0.7961 (t-90) REVERT: v 147 MET cc_start: 0.7851 (mtp) cc_final: 0.7528 (mtp) REVERT: v 154 PHE cc_start: 0.8869 (t80) cc_final: 0.8437 (t80) REVERT: v 157 GLN cc_start: 0.9269 (tp-100) cc_final: 0.8791 (tp-100) REVERT: v 163 PHE cc_start: 0.7858 (m-80) cc_final: 0.7541 (m-80) REVERT: v 166 LEU cc_start: 0.9358 (tp) cc_final: 0.9010 (tp) REVERT: v 180 HIS cc_start: 0.8704 (t-90) cc_final: 0.7474 (t-90) REVERT: v 181 PHE cc_start: 0.9320 (t80) cc_final: 0.9097 (t80) REVERT: v 216 MET cc_start: 0.9158 (tmm) cc_final: 0.8800 (tmm) REVERT: v 217 GLU cc_start: 0.9328 (tm-30) cc_final: 0.9065 (tm-30) REVERT: v 228 MET cc_start: 0.7815 (ttp) cc_final: 0.7269 (ttp) REVERT: v 273 GLU cc_start: 0.9579 (mp0) cc_final: 0.9240 (mp0) REVERT: v 279 ARG cc_start: 0.8797 (ttm-80) cc_final: 0.8508 (ttm-80) REVERT: v 284 MET cc_start: 0.7850 (mmm) cc_final: 0.7389 (mmm) REVERT: v 287 ASP cc_start: 0.9318 (p0) cc_final: 0.9076 (p0) REVERT: v 345 TRP cc_start: 0.7390 (m100) cc_final: 0.6580 (m100) REVERT: v 359 LYS cc_start: 0.9600 (mtmt) cc_final: 0.9340 (mtmm) REVERT: v 377 ILE cc_start: 0.9193 (mm) cc_final: 0.8800 (tp) REVERT: v 404 PHE cc_start: 0.9233 (m-80) cc_final: 0.8428 (m-80) REVERT: v 405 SER cc_start: 0.9413 (t) cc_final: 0.9064 (p) REVERT: v 412 VAL cc_start: 0.9697 (m) cc_final: 0.9429 (p) REVERT: v 413 PHE cc_start: 0.8637 (t80) cc_final: 0.8004 (t80) REVERT: v 449 TYR cc_start: 0.7199 (m-80) cc_final: 0.6625 (m-80) REVERT: v 471 MET cc_start: 0.8500 (ttt) cc_final: 0.8079 (ttp) REVERT: v 473 PHE cc_start: 0.9011 (m-80) cc_final: 0.8706 (m-10) REVERT: v 481 ILE cc_start: 0.9600 (pt) cc_final: 0.9331 (pt) REVERT: v 482 ASN cc_start: 0.9578 (t0) cc_final: 0.9153 (t0) REVERT: v 497 GLN cc_start: 0.8699 (mt0) cc_final: 0.8094 (mm110) REVERT: v 513 PHE cc_start: 0.9383 (m-80) cc_final: 0.9181 (m-80) REVERT: v 517 TYR cc_start: 0.8945 (m-80) cc_final: 0.8598 (m-80) REVERT: w 98 MET cc_start: 0.8043 (ptt) cc_final: 0.7718 (ptp) REVERT: w 117 MET cc_start: 0.8903 (mmp) cc_final: 0.8696 (mmp) REVERT: w 128 ARG cc_start: 0.9136 (mtt-85) cc_final: 0.8705 (mmt180) REVERT: w 130 VAL cc_start: 0.9565 (m) cc_final: 0.8726 (p) REVERT: w 144 PHE cc_start: 0.9350 (m-80) cc_final: 0.8258 (m-80) REVERT: w 147 MET cc_start: 0.8075 (mtt) cc_final: 0.7800 (mtt) REVERT: w 176 ASP cc_start: 0.9107 (t0) cc_final: 0.8668 (m-30) REVERT: w 177 ILE cc_start: 0.9568 (mm) cc_final: 0.9179 (mm) REVERT: w 178 TYR cc_start: 0.8936 (m-80) cc_final: 0.8234 (m-80) REVERT: w 209 ASP cc_start: 0.9510 (p0) cc_final: 0.9250 (p0) REVERT: w 216 MET cc_start: 0.9562 (tpp) cc_final: 0.9311 (tpp) REVERT: w 256 LYS cc_start: 0.9376 (pttt) cc_final: 0.8197 (ptpt) REVERT: w 257 GLN cc_start: 0.9445 (mt0) cc_final: 0.8807 (mt0) REVERT: w 265 GLN cc_start: 0.9207 (pt0) cc_final: 0.8657 (pt0) REVERT: w 287 ASP cc_start: 0.9262 (p0) cc_final: 0.8161 (p0) REVERT: w 294 LEU cc_start: 0.9433 (tp) cc_final: 0.8603 (tp) REVERT: w 309 TRP cc_start: 0.9223 (m100) cc_final: 0.8170 (m100) REVERT: w 311 ASN cc_start: 0.9769 (m-40) cc_final: 0.9064 (t0) REVERT: w 359 LYS cc_start: 0.9259 (tttp) cc_final: 0.8812 (tttt) REVERT: w 363 GLU cc_start: 0.8934 (tp30) cc_final: 0.7805 (tp30) REVERT: w 375 PHE cc_start: 0.9506 (p90) cc_final: 0.9227 (p90) REVERT: w 376 ILE cc_start: 0.9295 (mt) cc_final: 0.8613 (mm) REVERT: w 377 ILE cc_start: 0.8717 (mp) cc_final: 0.8081 (tp) REVERT: w 384 ASN cc_start: 0.9401 (m-40) cc_final: 0.9173 (m-40) REVERT: w 398 GLN cc_start: 0.8594 (tp40) cc_final: 0.8208 (tm-30) REVERT: w 404 PHE cc_start: 0.9092 (m-80) cc_final: 0.8317 (m-10) REVERT: w 420 LYS cc_start: 0.9352 (tttp) cc_final: 0.9143 (tptp) REVERT: w 426 ASP cc_start: 0.9342 (t0) cc_final: 0.9131 (t0) REVERT: w 460 ARG cc_start: 0.8954 (pmt-80) cc_final: 0.8567 (ttp80) REVERT: w 471 MET cc_start: 0.7640 (tmm) cc_final: 0.7152 (tmm) REVERT: w 473 PHE cc_start: 0.8831 (m-80) cc_final: 0.7566 (m-80) REVERT: w 481 ILE cc_start: 0.9158 (pt) cc_final: 0.8644 (pt) REVERT: w 484 PHE cc_start: 0.7412 (m-80) cc_final: 0.6764 (m-80) REVERT: w 516 VAL cc_start: 0.9692 (t) cc_final: 0.9467 (t) REVERT: x 90 GLN cc_start: 0.9107 (mm-40) cc_final: 0.8656 (mm110) REVERT: x 96 MET cc_start: 0.9025 (mmp) cc_final: 0.8681 (mmm) REVERT: x 105 ASN cc_start: 0.7834 (m110) cc_final: 0.7597 (m110) REVERT: x 117 MET cc_start: 0.8669 (mtp) cc_final: 0.7886 (mtp) REVERT: x 125 PHE cc_start: 0.8240 (m-80) cc_final: 0.7629 (m-80) REVERT: x 131 TYR cc_start: 0.7418 (p90) cc_final: 0.7186 (p90) REVERT: x 145 HIS cc_start: 0.8238 (t-90) cc_final: 0.7944 (t-90) REVERT: x 147 MET cc_start: 0.8593 (mmm) cc_final: 0.7807 (mmm) REVERT: x 148 TYR cc_start: 0.8237 (m-80) cc_final: 0.7738 (m-80) REVERT: x 151 ASP cc_start: 0.7635 (t0) cc_final: 0.6960 (t0) REVERT: x 178 TYR cc_start: 0.8876 (m-80) cc_final: 0.8216 (m-80) REVERT: x 182 PHE cc_start: 0.8770 (m-80) cc_final: 0.8004 (m-80) REVERT: x 199 ASP cc_start: 0.7376 (t0) cc_final: 0.6755 (t0) REVERT: x 204 ASP cc_start: 0.9501 (t0) cc_final: 0.9266 (t70) REVERT: x 207 LYS cc_start: 0.8562 (mttt) cc_final: 0.8272 (mmmt) REVERT: x 212 ILE cc_start: 0.9771 (mt) cc_final: 0.9465 (mt) REVERT: x 213 LYS cc_start: 0.9512 (mttt) cc_final: 0.8998 (mttt) REVERT: x 228 MET cc_start: 0.8938 (mtp) cc_final: 0.8500 (mtp) REVERT: x 240 ASN cc_start: 0.9477 (t0) cc_final: 0.9211 (t0) REVERT: x 249 GLU cc_start: 0.8748 (mt-10) cc_final: 0.8485 (mt-10) REVERT: x 257 GLN cc_start: 0.8640 (mm110) cc_final: 0.8384 (mm110) REVERT: x 262 LYS cc_start: 0.9171 (mttt) cc_final: 0.8920 (mttt) REVERT: x 267 LYS cc_start: 0.9143 (ptmt) cc_final: 0.8938 (ptmt) REVERT: x 276 GLN cc_start: 0.9315 (mt0) cc_final: 0.8944 (mt0) REVERT: x 302 ILE cc_start: 0.9586 (mt) cc_final: 0.9189 (mt) REVERT: x 303 ASN cc_start: 0.8924 (t0) cc_final: 0.8671 (t0) REVERT: x 304 ARG cc_start: 0.8907 (mmm160) cc_final: 0.8233 (mmm160) REVERT: x 311 ASN cc_start: 0.9780 (m-40) cc_final: 0.9194 (t0) REVERT: x 318 LYS cc_start: 0.9304 (ttmt) cc_final: 0.8885 (ttmm) REVERT: x 321 MET cc_start: 0.9262 (ptp) cc_final: 0.8898 (ptt) REVERT: x 360 GLU cc_start: 0.9620 (mm-30) cc_final: 0.9235 (mm-30) REVERT: x 398 GLN cc_start: 0.8865 (tm-30) cc_final: 0.8234 (tm-30) REVERT: x 410 LYS cc_start: 0.9384 (mmmm) cc_final: 0.9101 (mmmm) REVERT: x 424 TYR cc_start: 0.8755 (m-10) cc_final: 0.8482 (m-80) REVERT: x 428 TYR cc_start: 0.9038 (m-80) cc_final: 0.8836 (m-80) REVERT: x 430 LYS cc_start: 0.9147 (mmmt) cc_final: 0.8860 (mmmt) REVERT: x 439 LYS cc_start: 0.9238 (ttpp) cc_final: 0.8864 (ttpt) REVERT: x 442 ASN cc_start: 0.8302 (t0) cc_final: 0.7943 (t0) REVERT: x 459 LEU cc_start: 0.8699 (mt) cc_final: 0.8469 (mt) REVERT: x 463 ASP cc_start: 0.8174 (t0) cc_final: 0.7723 (t0) REVERT: x 476 ARG cc_start: 0.7203 (ttm170) cc_final: 0.6510 (ttm170) REVERT: x 481 ILE cc_start: 0.9130 (pt) cc_final: 0.8904 (pt) REVERT: x 482 ASN cc_start: 0.9473 (t0) cc_final: 0.9035 (t0) REVERT: x 500 MET cc_start: 0.7430 (mtm) cc_final: 0.6764 (mpp) REVERT: x 504 LEU cc_start: 0.9630 (mm) cc_final: 0.9420 (pt) REVERT: y 75 ASN cc_start: 0.8294 (t0) cc_final: 0.7961 (t0) REVERT: y 98 MET cc_start: 0.7949 (ptm) cc_final: 0.7419 (ptt) REVERT: y 106 LEU cc_start: 0.8531 (mt) cc_final: 0.8041 (mt) REVERT: y 115 GLN cc_start: 0.9359 (tp40) cc_final: 0.8608 (mm-40) REVERT: y 123 GLN cc_start: 0.9210 (pt0) cc_final: 0.8762 (pt0) REVERT: y 134 ASP cc_start: 0.9252 (t0) cc_final: 0.8919 (t0) REVERT: y 154 PHE cc_start: 0.8969 (t80) cc_final: 0.8514 (t80) REVERT: y 180 HIS cc_start: 0.8587 (t70) cc_final: 0.8258 (t70) REVERT: y 217 GLU cc_start: 0.9543 (tt0) cc_final: 0.8675 (tp30) REVERT: y 252 PHE cc_start: 0.9397 (p90) cc_final: 0.8249 (p90) REVERT: y 273 GLU cc_start: 0.9180 (mp0) cc_final: 0.8908 (mp0) REVERT: y 304 ARG cc_start: 0.9135 (mmm160) cc_final: 0.8807 (mmm160) REVERT: y 313 SER cc_start: 0.9542 (p) cc_final: 0.9075 (t) REVERT: y 321 MET cc_start: 0.8618 (mtp) cc_final: 0.8400 (mtp) REVERT: y 375 PHE cc_start: 0.9387 (p90) cc_final: 0.8749 (p90) REVERT: y 404 PHE cc_start: 0.8514 (m-80) cc_final: 0.7841 (m-80) REVERT: y 406 THR cc_start: 0.9444 (p) cc_final: 0.8873 (t) REVERT: y 426 ASP cc_start: 0.9244 (t0) cc_final: 0.9005 (t0) REVERT: y 432 ASP cc_start: 0.6520 (t0) cc_final: 0.5888 (t0) REVERT: y 444 MET cc_start: 0.9195 (mmm) cc_final: 0.8640 (mmm) REVERT: y 471 MET cc_start: 0.8180 (tpt) cc_final: 0.7838 (tpp) REVERT: y 481 ILE cc_start: 0.9198 (tp) cc_final: 0.8848 (tp) REVERT: y 484 PHE cc_start: 0.8458 (m-80) cc_final: 0.8219 (m-80) REVERT: y 497 GLN cc_start: 0.9027 (tp40) cc_final: 0.8519 (tm-30) REVERT: y 509 LYS cc_start: 0.9243 (mttp) cc_final: 0.8820 (mttt) REVERT: z 144 PHE cc_start: 0.9137 (m-80) cc_final: 0.8861 (m-80) REVERT: z 147 MET cc_start: 0.8046 (mtt) cc_final: 0.7607 (mtt) REVERT: z 153 MET cc_start: 0.9186 (mpp) cc_final: 0.8503 (mpp) REVERT: z 176 ASP cc_start: 0.8769 (m-30) cc_final: 0.8343 (m-30) REVERT: z 177 ILE cc_start: 0.9308 (mm) cc_final: 0.8659 (mm) REVERT: z 189 TYR cc_start: 0.7618 (m-80) cc_final: 0.6907 (m-80) REVERT: z 199 ASP cc_start: 0.8696 (t0) cc_final: 0.8252 (t0) REVERT: z 204 ASP cc_start: 0.9306 (t0) cc_final: 0.8874 (p0) REVERT: z 277 ASP cc_start: 0.9396 (m-30) cc_final: 0.9188 (m-30) REVERT: z 363 GLU cc_start: 0.9163 (tp30) cc_final: 0.8753 (tp30) REVERT: z 390 ASP cc_start: 0.8570 (t0) cc_final: 0.8307 (t0) REVERT: z 432 ASP cc_start: 0.7995 (p0) cc_final: 0.7328 (p0) REVERT: z 444 MET cc_start: 0.9357 (mmp) cc_final: 0.9047 (mmm) REVERT: z 518 VAL cc_start: 0.9000 (p) cc_final: 0.8678 (p) REVERT: A 72 HIS cc_start: 0.7766 (m90) cc_final: 0.7130 (m170) REVERT: A 78 ASN cc_start: 0.9395 (m110) cc_final: 0.9016 (p0) REVERT: A 134 ASP cc_start: 0.8429 (t70) cc_final: 0.8048 (t0) REVERT: A 147 MET cc_start: 0.9350 (mtm) cc_final: 0.8889 (mtm) REVERT: A 182 PHE cc_start: 0.8893 (m-80) cc_final: 0.8492 (m-80) REVERT: A 199 ASP cc_start: 0.8394 (t0) cc_final: 0.8070 (t0) REVERT: A 215 GLN cc_start: 0.9442 (mm-40) cc_final: 0.9213 (mm110) REVERT: A 226 GLU cc_start: 0.7777 (tt0) cc_final: 0.7424 (tt0) REVERT: A 231 SER cc_start: 0.9384 (p) cc_final: 0.9154 (p) REVERT: A 297 GLU cc_start: 0.9269 (tp30) cc_final: 0.8815 (tp30) REVERT: A 299 MET cc_start: 0.9590 (mmp) cc_final: 0.9259 (mmm) REVERT: A 311 ASN cc_start: 0.9841 (m110) cc_final: 0.9129 (m-40) REVERT: A 315 GLN cc_start: 0.6981 (mt0) cc_final: 0.6494 (mt0) REVERT: A 363 GLU cc_start: 0.9325 (tp30) cc_final: 0.8467 (tp30) REVERT: A 384 ASN cc_start: 0.9385 (m-40) cc_final: 0.8968 (m-40) REVERT: A 390 ASP cc_start: 0.8468 (t70) cc_final: 0.8207 (t0) REVERT: A 410 LYS cc_start: 0.9521 (mmmm) cc_final: 0.8991 (tptp) REVERT: A 430 LYS cc_start: 0.8197 (tmtt) cc_final: 0.7564 (tptp) REVERT: A 433 TYR cc_start: 0.7723 (p90) cc_final: 0.7035 (p90) REVERT: A 435 THR cc_start: 0.9435 (p) cc_final: 0.8474 (m) REVERT: B 112 CYS cc_start: 0.8233 (p) cc_final: 0.8033 (p) REVERT: B 145 HIS cc_start: 0.8837 (t-90) cc_final: 0.8263 (t-90) REVERT: B 147 MET cc_start: 0.9128 (mmm) cc_final: 0.8733 (mmm) REVERT: B 148 TYR cc_start: 0.8945 (m-80) cc_final: 0.8521 (m-80) REVERT: B 178 TYR cc_start: 0.7841 (m-80) cc_final: 0.7063 (m-80) REVERT: B 198 ILE cc_start: 0.9158 (mt) cc_final: 0.8639 (tp) REVERT: B 213 LYS cc_start: 0.9102 (ptpt) cc_final: 0.8875 (pptt) REVERT: B 226 GLU cc_start: 0.8934 (tp30) cc_final: 0.8570 (tp30) REVERT: B 297 GLU cc_start: 0.9396 (mm-30) cc_final: 0.9177 (mm-30) REVERT: B 304 ARG cc_start: 0.8821 (mmm160) cc_final: 0.8434 (mmm160) REVERT: B 305 GLU cc_start: 0.9081 (tt0) cc_final: 0.8840 (tt0) REVERT: B 318 LYS cc_start: 0.9283 (tppt) cc_final: 0.8841 (tppt) REVERT: B 321 MET cc_start: 0.8320 (mmp) cc_final: 0.7276 (mmm) REVERT: B 336 ASP cc_start: 0.8589 (t0) cc_final: 0.8154 (t70) REVERT: B 356 GLN cc_start: 0.9417 (tp40) cc_final: 0.9131 (tp40) REVERT: B 377 ILE cc_start: 0.9208 (mt) cc_final: 0.8879 (tp) REVERT: B 388 SER cc_start: 0.9441 (p) cc_final: 0.9226 (p) REVERT: B 390 ASP cc_start: 0.8384 (t0) cc_final: 0.8128 (t0) REVERT: B 413 PHE cc_start: 0.8882 (t80) cc_final: 0.8545 (t80) REVERT: B 442 ASN cc_start: 0.9286 (t0) cc_final: 0.9048 (t0) REVERT: B 463 ASP cc_start: 0.9041 (t0) cc_final: 0.8814 (t70) REVERT: B 466 ASN cc_start: 0.9054 (p0) cc_final: 0.8720 (p0) REVERT: B 486 GLU cc_start: 0.8488 (pp20) cc_final: 0.7538 (pm20) REVERT: B 505 ASN cc_start: 0.9509 (m-40) cc_final: 0.9193 (m-40) REVERT: B 510 ASN cc_start: 0.8526 (t0) cc_final: 0.8106 (t0) REVERT: B 512 TYR cc_start: 0.8180 (m-10) cc_final: 0.7956 (m-10) REVERT: B 513 PHE cc_start: 0.9125 (m-80) cc_final: 0.8695 (m-80) REVERT: C 96 MET cc_start: 0.8915 (mtm) cc_final: 0.8344 (mtm) REVERT: C 105 ASN cc_start: 0.8661 (m110) cc_final: 0.7818 (p0) REVERT: C 106 LEU cc_start: 0.9563 (pt) cc_final: 0.8752 (pt) REVERT: C 107 ILE cc_start: 0.9213 (mt) cc_final: 0.8883 (mt) REVERT: C 123 GLN cc_start: 0.9334 (pt0) cc_final: 0.8813 (pt0) REVERT: C 163 PHE cc_start: 0.8450 (m-80) cc_final: 0.7185 (m-10) REVERT: C 188 VAL cc_start: 0.8244 (t) cc_final: 0.8001 (t) REVERT: C 199 ASP cc_start: 0.7962 (t0) cc_final: 0.7391 (t0) REVERT: C 213 LYS cc_start: 0.9319 (mtmt) cc_final: 0.9027 (mmmt) REVERT: C 228 MET cc_start: 0.9006 (ttt) cc_final: 0.8551 (ttt) REVERT: C 249 GLU cc_start: 0.7468 (mt-10) cc_final: 0.6637 (mt-10) REVERT: C 250 MET cc_start: 0.8974 (mmm) cc_final: 0.8725 (mmt) REVERT: C 253 ARG cc_start: 0.8633 (ttm170) cc_final: 0.8286 (ttp-170) REVERT: C 273 GLU cc_start: 0.9263 (mp0) cc_final: 0.8934 (pm20) REVERT: C 285 ASP cc_start: 0.8976 (m-30) cc_final: 0.8626 (m-30) REVERT: C 287 ASP cc_start: 0.9332 (p0) cc_final: 0.8820 (t0) REVERT: C 312 TYR cc_start: 0.9384 (t80) cc_final: 0.8888 (t80) REVERT: C 321 MET cc_start: 0.8725 (pmm) cc_final: 0.8504 (pmm) REVERT: C 336 ASP cc_start: 0.7232 (t0) cc_final: 0.6836 (t70) REVERT: C 356 GLN cc_start: 0.9339 (tp40) cc_final: 0.8851 (tp-100) REVERT: C 360 GLU cc_start: 0.8685 (mm-30) cc_final: 0.8465 (mm-30) REVERT: C 452 PRO cc_start: 0.8910 (Cg_endo) cc_final: 0.7958 (Cg_exo) REVERT: C 481 ILE cc_start: 0.9385 (pt) cc_final: 0.8956 (mm) REVERT: C 490 GLN cc_start: 0.8993 (pm20) cc_final: 0.8406 (pm20) REVERT: C 510 ASN cc_start: 0.9484 (t0) cc_final: 0.9205 (t0) REVERT: D 71 ASP cc_start: 0.6895 (t0) cc_final: 0.5970 (t0) REVERT: D 83 GLN cc_start: 0.8085 (tm-30) cc_final: 0.7826 (tm-30) REVERT: D 96 MET cc_start: 0.8922 (ptp) cc_final: 0.8184 (ptm) REVERT: D 105 ASN cc_start: 0.8696 (t0) cc_final: 0.8337 (m-40) REVERT: D 109 PHE cc_start: 0.9157 (p90) cc_final: 0.8496 (p90) REVERT: D 119 SER cc_start: 0.9577 (t) cc_final: 0.9163 (p) REVERT: D 145 HIS cc_start: 0.9013 (t-90) cc_final: 0.8363 (t-90) REVERT: D 147 MET cc_start: 0.8833 (mmp) cc_final: 0.8610 (mmp) REVERT: D 148 TYR cc_start: 0.9438 (m-80) cc_final: 0.9021 (m-80) REVERT: D 166 LEU cc_start: 0.9105 (mt) cc_final: 0.8813 (mt) REVERT: D 171 GLN cc_start: 0.8901 (pm20) cc_final: 0.8106 (pp30) REVERT: D 177 ILE cc_start: 0.8955 (mp) cc_final: 0.8712 (mp) REVERT: D 182 PHE cc_start: 0.8828 (m-80) cc_final: 0.8254 (m-80) REVERT: D 191 GLN cc_start: 0.8910 (tt0) cc_final: 0.8269 (tp40) REVERT: D 199 ASP cc_start: 0.8116 (t0) cc_final: 0.7910 (t0) REVERT: D 211 GLU cc_start: 0.8703 (mm-30) cc_final: 0.8369 (tp30) REVERT: D 213 LYS cc_start: 0.9320 (mttt) cc_final: 0.8754 (mttt) REVERT: D 214 LYS cc_start: 0.9308 (mttt) cc_final: 0.9096 (mttm) REVERT: D 216 MET cc_start: 0.9429 (mtm) cc_final: 0.9107 (mtm) REVERT: D 228 MET cc_start: 0.8623 (ttt) cc_final: 0.8324 (ttt) REVERT: D 250 MET cc_start: 0.9084 (pmm) cc_final: 0.8655 (pmm) REVERT: D 264 ARG cc_start: 0.6290 (mtt90) cc_final: 0.5693 (mtt90) REVERT: D 289 GLU cc_start: 0.9446 (tt0) cc_final: 0.8892 (tt0) REVERT: D 309 TRP cc_start: 0.9015 (m100) cc_final: 0.8211 (m100) REVERT: D 345 TRP cc_start: 0.9119 (p-90) cc_final: 0.8492 (p-90) REVERT: D 348 GLU cc_start: 0.8552 (mt-10) cc_final: 0.8189 (mt-10) REVERT: D 350 PHE cc_start: 0.9178 (m-10) cc_final: 0.8927 (m-80) REVERT: D 384 ASN cc_start: 0.9275 (m-40) cc_final: 0.9071 (m-40) REVERT: D 386 LEU cc_start: 0.9814 (mt) cc_final: 0.9533 (mt) REVERT: D 400 LEU cc_start: 0.9464 (mt) cc_final: 0.9191 (mt) REVERT: D 404 PHE cc_start: 0.9195 (m-80) cc_final: 0.8500 (m-80) REVERT: D 439 LYS cc_start: 0.9075 (ttpt) cc_final: 0.8858 (mtmt) REVERT: D 481 ILE cc_start: 0.9079 (mm) cc_final: 0.8866 (tp) REVERT: D 505 ASN cc_start: 0.9288 (t0) cc_final: 0.8959 (t0) REVERT: D 513 PHE cc_start: 0.9309 (m-80) cc_final: 0.8691 (m-80) REVERT: E 35 LYS cc_start: 0.8510 (tttm) cc_final: 0.8216 (tptt) REVERT: E 37 ASP cc_start: 0.8831 (p0) cc_final: 0.8253 (t0) REVERT: E 41 ARG cc_start: 0.8033 (ttt180) cc_final: 0.7830 (ttp-110) REVERT: E 61 ILE cc_start: 0.8966 (mt) cc_final: 0.8483 (mt) REVERT: E 79 TYR cc_start: 0.9210 (m-10) cc_final: 0.8906 (m-80) REVERT: E 112 ASN cc_start: 0.9484 (t0) cc_final: 0.8954 (p0) REVERT: E 135 ASN cc_start: 0.9258 (m-40) cc_final: 0.9046 (m110) REVERT: E 146 HIS cc_start: 0.8676 (m-70) cc_final: 0.8433 (m-70) REVERT: E 183 GLN cc_start: 0.5802 (tm-30) cc_final: 0.5405 (tm-30) REVERT: E 186 ARG cc_start: 0.6369 (mtm180) cc_final: 0.5508 (mtm180) REVERT: E 204 GLU cc_start: 0.8402 (mt-10) cc_final: 0.8158 (mp0) REVERT: E 232 LYS cc_start: 0.7316 (tptm) cc_final: 0.6053 (tptm) REVERT: E 259 LYS cc_start: 0.9108 (tmmt) cc_final: 0.8825 (ttpp) REVERT: E 330 MET cc_start: 0.7330 (ptm) cc_final: 0.6773 (ptm) REVERT: E 360 GLU cc_start: 0.8784 (mm-30) cc_final: 0.8389 (mm-30) REVERT: E 371 MET cc_start: 0.9356 (mmp) cc_final: 0.8728 (mmp) REVERT: E 444 ILE cc_start: 0.8938 (pt) cc_final: 0.8512 (mm) REVERT: E 457 LEU cc_start: 0.9559 (mt) cc_final: 0.9338 (mt) REVERT: E 472 MET cc_start: 0.9450 (mtm) cc_final: 0.9238 (mtm) REVERT: E 498 ILE cc_start: 0.9461 (tt) cc_final: 0.9066 (mm) REVERT: E 499 GLU cc_start: 0.8658 (tt0) cc_final: 0.8450 (tt0) REVERT: E 503 LYS cc_start: 0.8918 (mttt) cc_final: 0.8639 (ttmt) REVERT: F 15 MET cc_start: 0.9588 (mtp) cc_final: 0.9270 (mmp) REVERT: F 17 GLU cc_start: 0.8928 (mt-10) cc_final: 0.8523 (mt-10) REVERT: F 80 ARG cc_start: 0.8945 (mtt90) cc_final: 0.8452 (mpp80) REVERT: F 83 MET cc_start: 0.7476 (tmm) cc_final: 0.7162 (tmm) REVERT: F 125 MET cc_start: 0.8676 (mtm) cc_final: 0.8376 (mtt) REVERT: F 126 MET cc_start: 0.9019 (mmm) cc_final: 0.8771 (mmm) REVERT: F 132 ASP cc_start: 0.9055 (t70) cc_final: 0.8781 (t0) REVERT: F 146 HIS cc_start: 0.9230 (m-70) cc_final: 0.8676 (m-70) REVERT: F 176 ARG cc_start: 0.8921 (ppt170) cc_final: 0.8639 (ppt170) REVERT: F 181 GLN cc_start: 0.8235 (mt0) cc_final: 0.7684 (mt0) REVERT: F 199 VAL cc_start: 0.7291 (p) cc_final: 0.6979 (p) REVERT: F 205 TYR cc_start: 0.7199 (m-80) cc_final: 0.6825 (m-80) REVERT: F 208 TYR cc_start: 0.5471 (t80) cc_final: 0.5181 (t80) REVERT: F 230 ILE cc_start: 0.8594 (mm) cc_final: 0.8377 (mm) REVERT: F 236 VAL cc_start: 0.8789 (t) cc_final: 0.8587 (t) REVERT: F 239 HIS cc_start: 0.8323 (p90) cc_final: 0.8074 (p-80) REVERT: F 259 LYS cc_start: 0.7765 (tttp) cc_final: 0.7164 (tppt) REVERT: F 281 ASP cc_start: 0.7665 (t0) cc_final: 0.7010 (p0) REVERT: F 301 MET cc_start: 0.5623 (mmm) cc_final: 0.5336 (mmm) REVERT: F 365 PHE cc_start: 0.9559 (m-80) cc_final: 0.9127 (m-80) REVERT: F 371 MET cc_start: 0.8154 (mtp) cc_final: 0.7711 (mtp) REVERT: F 409 GLU cc_start: 0.9721 (mt-10) cc_final: 0.9378 (mt-10) REVERT: F 420 ASP cc_start: 0.9125 (t70) cc_final: 0.8844 (t70) REVERT: F 425 ASN cc_start: 0.9059 (m-40) cc_final: 0.8609 (p0) REVERT: F 436 GLU cc_start: 0.8800 (tp30) cc_final: 0.8528 (tp30) REVERT: F 445 LYS cc_start: 0.9494 (mtpp) cc_final: 0.8787 (mmtt) REVERT: F 447 GLU cc_start: 0.9023 (mt-10) cc_final: 0.8335 (mp0) REVERT: F 459 GLU cc_start: 0.8698 (mt-10) cc_final: 0.8324 (mt-10) REVERT: F 464 GLU cc_start: 0.8728 (pp20) cc_final: 0.8333 (pp20) REVERT: F 465 ARG cc_start: 0.8425 (mtt180) cc_final: 0.8139 (ttm170) REVERT: F 472 MET cc_start: 0.8884 (mmp) cc_final: 0.8278 (mtt) REVERT: F 479 LYS cc_start: 0.6916 (mttt) cc_final: 0.6452 (tptt) REVERT: F 480 TYR cc_start: 0.9117 (m-80) cc_final: 0.8114 (m-80) REVERT: F 485 THR cc_start: 0.9231 (m) cc_final: 0.8976 (m) REVERT: F 487 MET cc_start: 0.8978 (mtp) cc_final: 0.8756 (mmp) REVERT: F 491 LEU cc_start: 0.9444 (mt) cc_final: 0.9130 (mt) REVERT: F 493 MET cc_start: 0.6836 (mtm) cc_final: 0.6617 (mtm) REVERT: F 504 GLN cc_start: 0.9542 (tp-100) cc_final: 0.9320 (tp-100) REVERT: G 31 ILE cc_start: 0.7899 (mt) cc_final: 0.7484 (mt) REVERT: G 43 PHE cc_start: 0.8935 (t80) cc_final: 0.8643 (t80) REVERT: G 48 ASN cc_start: 0.8386 (t0) cc_final: 0.8181 (t0) REVERT: G 70 LYS cc_start: 0.8655 (tptm) cc_final: 0.8414 (mttp) REVERT: G 109 VAL cc_start: 0.8168 (p) cc_final: 0.7696 (p) REVERT: G 178 ASP cc_start: 0.8563 (t0) cc_final: 0.8336 (t0) REVERT: G 221 MET cc_start: 0.0143 (tmm) cc_final: -0.0108 (ttt) REVERT: G 259 LYS cc_start: 0.8939 (tttt) cc_final: 0.8462 (tppt) REVERT: G 265 LYS cc_start: 0.9138 (mtpt) cc_final: 0.8699 (mmmt) REVERT: G 292 MET cc_start: 0.4074 (tpp) cc_final: 0.3232 (tmm) REVERT: G 371 MET cc_start: 0.8922 (ptm) cc_final: 0.8241 (tmm) REVERT: G 406 PHE cc_start: 0.8748 (t80) cc_final: 0.8312 (t80) REVERT: G 409 GLU cc_start: 0.9154 (mt-10) cc_final: 0.8837 (mt-10) REVERT: G 413 LYS cc_start: 0.9715 (mttt) cc_final: 0.9505 (mtpt) REVERT: G 416 GLU cc_start: 0.8807 (tp30) cc_final: 0.8455 (tp30) REVERT: G 428 LEU cc_start: 0.9090 (mt) cc_final: 0.8788 (mt) REVERT: G 463 LEU cc_start: 0.9602 (tp) cc_final: 0.9322 (tp) REVERT: G 465 ARG cc_start: 0.9002 (mmm-85) cc_final: 0.8361 (ttm170) REVERT: G 466 ARG cc_start: 0.8387 (mtt180) cc_final: 0.7747 (mtm-85) REVERT: G 469 MET cc_start: 0.8601 (mmp) cc_final: 0.8090 (mmp) REVERT: G 476 PHE cc_start: 0.9328 (m-80) cc_final: 0.8837 (m-10) REVERT: G 487 MET cc_start: 0.8355 (ttt) cc_final: 0.7535 (tmm) REVERT: G 504 GLN cc_start: 0.8550 (tp40) cc_final: 0.8022 (tp40) REVERT: G 507 GLU cc_start: 0.8944 (mt-10) cc_final: 0.8680 (mt-10) REVERT: H 16 ASP cc_start: 0.7936 (m-30) cc_final: 0.7670 (m-30) REVERT: H 74 GLU cc_start: 0.9088 (mt-10) cc_final: 0.8837 (mt-10) REVERT: H 81 ASN cc_start: 0.9093 (m-40) cc_final: 0.8568 (t0) REVERT: H 98 ASP cc_start: 0.9514 (m-30) cc_final: 0.9067 (p0) REVERT: H 103 GLU cc_start: 0.8095 (mt-10) cc_final: 0.7073 (mt-10) REVERT: H 137 LEU cc_start: 0.9230 (tp) cc_final: 0.8569 (tp) REVERT: H 146 HIS cc_start: 0.8650 (m-70) cc_final: 0.7901 (m-70) REVERT: H 147 PHE cc_start: 0.9461 (t80) cc_final: 0.9261 (t80) REVERT: H 152 VAL cc_start: 0.8704 (p) cc_final: 0.8192 (t) REVERT: H 159 HIS cc_start: 0.9243 (t-90) cc_final: 0.9026 (t-90) REVERT: H 173 GLU cc_start: 0.7944 (pm20) cc_final: 0.7532 (pm20) REVERT: H 274 TYR cc_start: 0.7721 (t80) cc_final: 0.7334 (t80) REVERT: H 275 ARG cc_start: 0.9456 (tpt-90) cc_final: 0.9041 (ttp80) REVERT: H 292 MET cc_start: 0.6558 (mtt) cc_final: 0.6176 (ptp) REVERT: H 305 MET cc_start: -0.2187 (ptm) cc_final: -0.2543 (ptm) REVERT: H 308 MET cc_start: 0.3294 (mmt) cc_final: 0.1799 (mmt) REVERT: H 359 MET cc_start: 0.5158 (mmt) cc_final: 0.4958 (mmt) REVERT: H 363 ARG cc_start: 0.9086 (mtp180) cc_final: 0.8496 (ttm110) REVERT: H 365 PHE cc_start: 0.9389 (m-80) cc_final: 0.8861 (m-80) REVERT: H 403 PHE cc_start: 0.9235 (t80) cc_final: 0.8813 (t80) REVERT: H 407 ILE cc_start: 0.9595 (mm) cc_final: 0.8880 (mm) REVERT: H 409 GLU cc_start: 0.9584 (mt-10) cc_final: 0.9345 (mt-10) REVERT: H 413 LYS cc_start: 0.9319 (mmtt) cc_final: 0.8854 (mmtt) REVERT: H 414 PHE cc_start: 0.9399 (t80) cc_final: 0.8599 (t80) REVERT: H 417 VAL cc_start: 0.8988 (p) cc_final: 0.8320 (t) REVERT: H 419 LEU cc_start: 0.9557 (mm) cc_final: 0.9330 (mm) REVERT: H 472 MET cc_start: 0.8996 (mtm) cc_final: 0.8744 (mtp) REVERT: I 76 ILE cc_start: 0.8801 (mt) cc_final: 0.8437 (mt) REVERT: I 79 TYR cc_start: 0.9253 (m-10) cc_final: 0.8096 (m-80) REVERT: I 117 LYS cc_start: 0.5806 (mmtt) cc_final: 0.5228 (mmtt) REVERT: I 123 LYS cc_start: 0.8939 (pttm) cc_final: 0.8455 (pttm) REVERT: I 126 MET cc_start: 0.8912 (mtm) cc_final: 0.8562 (mtm) REVERT: I 155 ARG cc_start: 0.7447 (ptp-170) cc_final: 0.6942 (ptp-170) REVERT: I 156 ILE cc_start: 0.8890 (tp) cc_final: 0.8560 (tp) REVERT: I 175 ARG cc_start: 0.7832 (mmp80) cc_final: 0.7321 (tpp80) REVERT: I 180 ARG cc_start: 0.8748 (mpp80) cc_final: 0.8438 (mtm-85) REVERT: I 181 GLN cc_start: 0.7335 (mm110) cc_final: 0.6727 (mm-40) REVERT: I 267 LEU cc_start: 0.8711 (mt) cc_final: 0.8359 (mt) REVERT: I 364 TRP cc_start: 0.9161 (t60) cc_final: 0.7760 (t60) REVERT: I 401 LEU cc_start: 0.9524 (mt) cc_final: 0.9297 (mt) REVERT: I 481 ILE cc_start: 0.9183 (mm) cc_final: 0.8849 (tp) REVERT: I 501 GLU cc_start: 0.9344 (mm-30) cc_final: 0.8762 (pp20) REVERT: I 504 GLN cc_start: 0.9403 (tp-100) cc_final: 0.8796 (tp-100) REVERT: I 505 ILE cc_start: 0.9028 (mt) cc_final: 0.8812 (mt) REVERT: J 49 GLU cc_start: 0.8076 (mt-10) cc_final: 0.7782 (mt-10) REVERT: J 94 GLU cc_start: 0.9437 (tt0) cc_final: 0.8927 (tt0) REVERT: J 98 ASP cc_start: 0.8786 (m-30) cc_final: 0.8338 (m-30) REVERT: J 126 MET cc_start: 0.8577 (mtt) cc_final: 0.8212 (mtt) REVERT: J 127 LEU cc_start: 0.8679 (mt) cc_final: 0.8286 (mt) REVERT: J 128 ASP cc_start: 0.9340 (m-30) cc_final: 0.8856 (t0) REVERT: J 146 HIS cc_start: 0.9267 (m-70) cc_final: 0.8456 (m90) REVERT: J 157 PHE cc_start: 0.9316 (m-80) cc_final: 0.8919 (m-80) REVERT: J 158 PHE cc_start: 0.9495 (m-80) cc_final: 0.9197 (m-80) REVERT: J 176 ARG cc_start: 0.8719 (ttp-170) cc_final: 0.8138 (ttt180) REVERT: J 183 GLN cc_start: 0.8918 (mp10) cc_final: 0.8133 (mp10) REVERT: J 205 TYR cc_start: 0.8883 (p90) cc_final: 0.8516 (p90) REVERT: J 207 ILE cc_start: 0.8788 (mm) cc_final: 0.8478 (mm) REVERT: J 285 TRP cc_start: 0.5119 (m100) cc_final: 0.4812 (m100) REVERT: J 348 ASP cc_start: 0.8734 (m-30) cc_final: 0.8520 (m-30) REVERT: J 367 GLN cc_start: 0.9314 (tp40) cc_final: 0.8506 (tp40) REVERT: J 371 MET cc_start: 0.9316 (mtp) cc_final: 0.8654 (mtm) REVERT: J 396 ILE cc_start: 0.7824 (mm) cc_final: 0.7133 (mm) REVERT: J 400 GLU cc_start: 0.9261 (tp30) cc_final: 0.8980 (tp30) REVERT: J 401 LEU cc_start: 0.9121 (mm) cc_final: 0.8872 (mm) REVERT: J 405 LYS cc_start: 0.9220 (mttm) cc_final: 0.8904 (mtpp) REVERT: J 408 ARG cc_start: 0.8410 (mmm160) cc_final: 0.7913 (mmm160) REVERT: J 409 GLU cc_start: 0.9170 (mt-10) cc_final: 0.8856 (mt-10) REVERT: J 413 LYS cc_start: 0.9267 (mmtt) cc_final: 0.8957 (mmtt) REVERT: J 448 PHE cc_start: 0.8213 (m-80) cc_final: 0.8004 (m-80) REVERT: J 451 ASP cc_start: 0.9296 (t0) cc_final: 0.8921 (t70) REVERT: J 457 LEU cc_start: 0.8884 (tt) cc_final: 0.8437 (tt) REVERT: J 458 LYS cc_start: 0.8241 (ttpt) cc_final: 0.7851 (ttpt) REVERT: J 461 GLU cc_start: 0.9190 (mt-10) cc_final: 0.8854 (mt-10) REVERT: J 487 MET cc_start: 0.8245 (mtm) cc_final: 0.8002 (mtp) REVERT: J 499 GLU cc_start: 0.9165 (mt-10) cc_final: 0.8605 (pt0) REVERT: J 505 ILE cc_start: 0.9038 (mt) cc_final: 0.8739 (mt) REVERT: K 31 ILE cc_start: 0.7618 (mp) cc_final: 0.6926 (tp) REVERT: K 86 TYR cc_start: 0.6418 (t80) cc_final: 0.5910 (t80) REVERT: K 87 GLU cc_start: 0.8863 (mm-30) cc_final: 0.7750 (mm-30) REVERT: K 122 ILE cc_start: 0.8365 (mt) cc_final: 0.8073 (mt) REVERT: K 125 MET cc_start: 0.8594 (mmp) cc_final: 0.8311 (mmp) REVERT: K 126 MET cc_start: 0.9256 (mtm) cc_final: 0.8762 (mtm) REVERT: K 127 LEU cc_start: 0.9042 (mt) cc_final: 0.8782 (mt) REVERT: K 202 TYR cc_start: 0.8748 (m-80) cc_final: 0.8330 (m-80) REVERT: K 253 TYR cc_start: 0.8052 (m-10) cc_final: 0.7837 (m-10) REVERT: K 256 ARG cc_start: 0.8174 (mtt90) cc_final: 0.7721 (mtm180) REVERT: K 301 MET cc_start: 0.2081 (mmm) cc_final: 0.1697 (mmt) REVERT: K 359 MET cc_start: 0.8844 (ttp) cc_final: 0.8499 (ptt) REVERT: K 360 GLU cc_start: 0.9516 (mm-30) cc_final: 0.8829 (mp0) REVERT: K 379 ARG cc_start: 0.8478 (mmp80) cc_final: 0.8162 (mmm160) REVERT: K 396 ILE cc_start: 0.8745 (tt) cc_final: 0.8527 (tt) REVERT: K 401 LEU cc_start: 0.9164 (mt) cc_final: 0.8918 (mt) REVERT: K 410 LEU cc_start: 0.9635 (mt) cc_final: 0.9420 (mt) REVERT: K 419 LEU cc_start: 0.9249 (mt) cc_final: 0.8954 (mt) REVERT: K 420 ASP cc_start: 0.9550 (t0) cc_final: 0.9109 (t0) REVERT: K 423 LYS cc_start: 0.8351 (ptpp) cc_final: 0.7939 (tttp) REVERT: K 457 LEU cc_start: 0.9012 (mt) cc_final: 0.8765 (mt) REVERT: K 461 GLU cc_start: 0.8751 (mt-10) cc_final: 0.8482 (mt-10) REVERT: K 465 ARG cc_start: 0.9010 (tpm170) cc_final: 0.8353 (tpp-160) REVERT: K 472 MET cc_start: 0.9355 (mtm) cc_final: 0.8639 (mtp) REVERT: K 487 MET cc_start: 0.8986 (mtm) cc_final: 0.8748 (ttm) REVERT: K 488 LYS cc_start: 0.8231 (pttp) cc_final: 0.7916 (pttp) REVERT: K 497 GLU cc_start: 0.7152 (tt0) cc_final: 0.6713 (tt0) REVERT: K 498 ILE cc_start: 0.9460 (mt) cc_final: 0.9166 (mt) REVERT: K 501 GLU cc_start: 0.9246 (mm-30) cc_final: 0.8924 (mm-30) REVERT: K 503 LYS cc_start: 0.7956 (tttm) cc_final: 0.7618 (mmmm) REVERT: L 24 GLU cc_start: 0.8568 (tt0) cc_final: 0.7864 (mt-10) REVERT: L 83 MET cc_start: 0.9310 (ttp) cc_final: 0.8852 (tpt) REVERT: L 85 ASN cc_start: 0.9160 (m-40) cc_final: 0.8899 (m110) REVERT: L 88 VAL cc_start: 0.9561 (t) cc_final: 0.9348 (t) REVERT: L 111 LEU cc_start: 0.9346 (tp) cc_final: 0.9116 (tp) REVERT: L 112 ASN cc_start: 0.8542 (m110) cc_final: 0.8327 (m110) REVERT: L 113 LEU cc_start: 0.7073 (mt) cc_final: 0.6486 (mt) REVERT: L 128 ASP cc_start: 0.9622 (m-30) cc_final: 0.9235 (t0) REVERT: L 136 HIS cc_start: 0.7677 (m170) cc_final: 0.7383 (m170) REVERT: L 150 TRP cc_start: 0.8109 (t-100) cc_final: 0.7681 (t-100) REVERT: L 173 GLU cc_start: 0.8059 (mp0) cc_final: 0.7632 (mp0) REVERT: L 202 TYR cc_start: 0.7384 (m-80) cc_final: 0.6913 (m-80) REVERT: L 215 TYR cc_start: 0.7348 (m-10) cc_final: 0.7059 (m-80) REVERT: L 256 ARG cc_start: 0.8286 (ttp-110) cc_final: 0.7922 (ttp-170) REVERT: L 262 ASN cc_start: 0.8956 (t0) cc_final: 0.8672 (m110) REVERT: L 268 GLU cc_start: 0.9279 (tt0) cc_final: 0.8434 (tm-30) REVERT: L 277 THR cc_start: 0.8411 (p) cc_final: 0.8091 (p) REVERT: L 301 MET cc_start: 0.0095 (ptm) cc_final: -0.0306 (mtp) REVERT: L 359 MET cc_start: 0.7955 (pmm) cc_final: 0.7665 (pmm) REVERT: L 363 ARG cc_start: 0.8826 (mtt180) cc_final: 0.8195 (ttm110) REVERT: L 401 LEU cc_start: 0.9672 (mt) cc_final: 0.9459 (mt) REVERT: L 407 ILE cc_start: 0.9701 (mm) cc_final: 0.9279 (mm) REVERT: L 414 PHE cc_start: 0.9169 (t80) cc_final: 0.8921 (t80) REVERT: L 419 LEU cc_start: 0.9344 (mt) cc_final: 0.9067 (mt) REVERT: L 420 ASP cc_start: 0.9174 (t0) cc_final: 0.8889 (t0) REVERT: L 468 ASN cc_start: 0.9637 (m110) cc_final: 0.9344 (p0) REVERT: L 487 MET cc_start: 0.9300 (mmt) cc_final: 0.8789 (mmt) REVERT: L 493 MET cc_start: 0.7963 (mpp) cc_final: 0.7740 (mpp) REVERT: L 504 GLN cc_start: 0.9111 (mt0) cc_final: 0.8713 (mm110) REVERT: M 41 ARG cc_start: 0.8842 (ptp90) cc_final: 0.8371 (ptp90) REVERT: M 45 VAL cc_start: 0.7630 (t) cc_final: 0.7226 (t) REVERT: M 74 GLU cc_start: 0.9328 (mt-10) cc_final: 0.9079 (mt-10) REVERT: M 75 LEU cc_start: 0.9069 (mt) cc_final: 0.8808 (mt) REVERT: M 78 THR cc_start: 0.8565 (m) cc_final: 0.8329 (p) REVERT: M 79 TYR cc_start: 0.9416 (m-10) cc_final: 0.8956 (m-80) REVERT: M 84 ASN cc_start: 0.8520 (m110) cc_final: 0.7863 (m110) REVERT: M 86 TYR cc_start: 0.7816 (t80) cc_final: 0.7583 (t80) REVERT: M 98 ASP cc_start: 0.9398 (m-30) cc_final: 0.9081 (m-30) REVERT: M 123 LYS cc_start: 0.9107 (mttt) cc_final: 0.8896 (mttm) REVERT: M 128 ASP cc_start: 0.9431 (m-30) cc_final: 0.9230 (m-30) REVERT: M 146 HIS cc_start: 0.9053 (m-70) cc_final: 0.8538 (m-70) REVERT: M 150 TRP cc_start: 0.8609 (t60) cc_final: 0.8376 (t60) REVERT: M 151 TYR cc_start: 0.9432 (t80) cc_final: 0.9018 (t80) REVERT: M 153 ASP cc_start: 0.9357 (m-30) cc_final: 0.8806 (t0) REVERT: M 179 PRO cc_start: 0.9730 (Cg_exo) cc_final: 0.9492 (Cg_endo) REVERT: M 239 HIS cc_start: 0.8215 (p-80) cc_final: 0.7040 (p-80) REVERT: M 271 VAL cc_start: 0.9163 (p) cc_final: 0.8957 (p) REVERT: M 350 LEU cc_start: 0.8062 (mt) cc_final: 0.7830 (mt) REVERT: M 367 GLN cc_start: 0.8945 (tp40) cc_final: 0.8229 (tp40) REVERT: M 371 MET cc_start: 0.9361 (mtp) cc_final: 0.8610 (mtp) REVERT: M 406 PHE cc_start: 0.9474 (t80) cc_final: 0.9225 (t80) REVERT: M 420 ASP cc_start: 0.9447 (t70) cc_final: 0.9163 (t0) REVERT: M 459 GLU cc_start: 0.9334 (mt-10) cc_final: 0.9062 (mt-10) REVERT: M 472 MET cc_start: 0.8841 (mtp) cc_final: 0.8480 (mtt) REVERT: M 487 MET cc_start: 0.8972 (mtt) cc_final: 0.8591 (mtt) REVERT: M 491 LEU cc_start: 0.9326 (mt) cc_final: 0.9118 (mt) REVERT: M 493 MET cc_start: 0.8606 (mtm) cc_final: 0.8299 (mtm) REVERT: M 496 GLU cc_start: 0.8881 (pp20) cc_final: 0.8448 (tm-30) REVERT: M 500 GLN cc_start: 0.8896 (mm110) cc_final: 0.8556 (mm-40) REVERT: M 504 GLN cc_start: 0.8457 (tp40) cc_final: 0.7962 (tp40) REVERT: M 507 GLU cc_start: 0.9343 (mt-10) cc_final: 0.8949 (mm-30) REVERT: N 6 LEU cc_start: 0.5084 (mm) cc_final: 0.4882 (mm) REVERT: N 28 LEU cc_start: 0.8649 (mt) cc_final: 0.8444 (mt) REVERT: N 45 VAL cc_start: 0.7923 (m) cc_final: 0.7641 (m) REVERT: N 66 GLU cc_start: 0.6661 (mp0) cc_final: 0.6327 (mp0) REVERT: N 101 VAL cc_start: 0.8540 (p) cc_final: 0.7796 (m) REVERT: N 111 LEU cc_start: 0.8809 (tp) cc_final: 0.8598 (tp) REVERT: N 130 PHE cc_start: 0.8877 (t80) cc_final: 0.8661 (t80) REVERT: N 147 PHE cc_start: 0.8996 (t80) cc_final: 0.8213 (t80) REVERT: N 150 TRP cc_start: 0.8905 (t60) cc_final: 0.7341 (t60) REVERT: N 171 ILE cc_start: 0.7452 (tp) cc_final: 0.7226 (mm) REVERT: N 180 ARG cc_start: 0.7465 (mtt90) cc_final: 0.7077 (mtt90) REVERT: N 221 MET cc_start: 0.3453 (mmt) cc_final: 0.2638 (mmt) REVERT: N 273 ILE cc_start: 0.9443 (mp) cc_final: 0.9046 (mp) REVERT: N 305 MET cc_start: 0.3579 (ptm) cc_final: 0.3378 (ptm) REVERT: N 366 ARG cc_start: 0.8723 (mtp-110) cc_final: 0.8216 (ptm160) REVERT: N 400 GLU cc_start: 0.9212 (mm-30) cc_final: 0.8739 (mm-30) REVERT: N 410 LEU cc_start: 0.8997 (mt) cc_final: 0.8570 (mt) REVERT: N 414 PHE cc_start: 0.9217 (t80) cc_final: 0.7668 (t80) REVERT: N 432 ILE cc_start: 0.9055 (mp) cc_final: 0.8799 (tp) REVERT: N 459 GLU cc_start: 0.9429 (mm-30) cc_final: 0.9223 (mm-30) REVERT: N 464 GLU cc_start: 0.9261 (tt0) cc_final: 0.9049 (tt0) REVERT: N 507 GLU cc_start: 0.9135 (tt0) cc_final: 0.8568 (tm-30) REVERT: O 15 MET cc_start: 0.6163 (mtm) cc_final: 0.5806 (mtm) REVERT: O 69 MET cc_start: 0.8443 (mmm) cc_final: 0.6977 (mmm) REVERT: O 73 ARG cc_start: 0.7677 (mtt-85) cc_final: 0.7322 (tpp-160) REVERT: O 79 TYR cc_start: 0.8976 (m-80) cc_final: 0.8735 (m-80) REVERT: O 83 MET cc_start: 0.8730 (ttp) cc_final: 0.7974 (tpp) REVERT: O 137 LEU cc_start: 0.9701 (mt) cc_final: 0.9477 (mt) REVERT: O 159 HIS cc_start: 0.9372 (t70) cc_final: 0.9068 (t70) REVERT: O 172 LYS cc_start: 0.7159 (mmtt) cc_final: 0.6741 (mtmt) REVERT: O 180 ARG cc_start: 0.7659 (mtm180) cc_final: 0.7379 (mpp80) REVERT: O 182 VAL cc_start: 0.9211 (t) cc_final: 0.8957 (p) REVERT: O 250 ILE cc_start: 0.8337 (mt) cc_final: 0.8116 (mt) REVERT: O 274 TYR cc_start: 0.9086 (t80) cc_final: 0.8408 (t80) REVERT: O 275 ARG cc_start: 0.8680 (mmm160) cc_final: 0.8101 (mmm160) REVERT: O 276 ILE cc_start: 0.7988 (tp) cc_final: 0.7737 (tp) REVERT: O 292 MET cc_start: 0.6426 (mtt) cc_final: 0.5480 (ttm) REVERT: O 334 TYR cc_start: 0.7491 (m-80) cc_final: 0.6500 (m-80) REVERT: O 360 GLU cc_start: 0.9552 (mt-10) cc_final: 0.9297 (mp0) REVERT: O 364 TRP cc_start: 0.9310 (t60) cc_final: 0.8875 (t60) REVERT: O 367 GLN cc_start: 0.9382 (mt0) cc_final: 0.8958 (mt0) REVERT: O 413 LYS cc_start: 0.8966 (mttp) cc_final: 0.8537 (ttmm) REVERT: O 416 GLU cc_start: 0.8111 (mm-30) cc_final: 0.7315 (tt0) REVERT: O 420 ASP cc_start: 0.9579 (t0) cc_final: 0.9262 (t0) REVERT: O 432 ILE cc_start: 0.9054 (tt) cc_final: 0.8837 (tt) REVERT: O 447 GLU cc_start: 0.8518 (mt-10) cc_final: 0.8237 (mp0) REVERT: O 469 MET cc_start: 0.9386 (mmp) cc_final: 0.8740 (ttm) REVERT: O 490 ILE cc_start: 0.8929 (mp) cc_final: 0.8519 (mp) REVERT: P 80 ARG cc_start: 0.9113 (mmt90) cc_final: 0.8825 (mtp180) REVERT: P 86 TYR cc_start: 0.8299 (t80) cc_final: 0.7592 (t80) REVERT: P 104 ASP cc_start: 0.9359 (m-30) cc_final: 0.8681 (p0) REVERT: P 105 ASP cc_start: 0.9004 (m-30) cc_final: 0.8762 (t70) REVERT: P 125 MET cc_start: 0.9200 (mmm) cc_final: 0.8855 (mtt) REVERT: P 132 ASP cc_start: 0.8664 (t0) cc_final: 0.8260 (m-30) REVERT: P 148 ARG cc_start: 0.7550 (ttm110) cc_final: 0.7233 (ttt180) REVERT: P 153 ASP cc_start: 0.9125 (m-30) cc_final: 0.8899 (m-30) REVERT: P 156 ILE cc_start: 0.8388 (tt) cc_final: 0.8046 (tt) REVERT: P 158 PHE cc_start: 0.9228 (m-80) cc_final: 0.8821 (m-80) REVERT: P 174 LEU cc_start: 0.8694 (mt) cc_final: 0.8381 (mt) REVERT: P 203 LYS cc_start: 0.8622 (mmtm) cc_final: 0.8210 (mmtt) REVERT: P 230 ILE cc_start: 0.7973 (mm) cc_final: 0.7582 (mp) REVERT: P 243 VAL cc_start: 0.7447 (p) cc_final: 0.7096 (t) REVERT: P 255 HIS cc_start: 0.9115 (t70) cc_final: 0.8813 (t70) REVERT: P 263 GLN cc_start: 0.9381 (tt0) cc_final: 0.9106 (tt0) REVERT: P 308 MET cc_start: 0.0080 (mmt) cc_final: -0.0869 (mtt) REVERT: P 328 MET cc_start: 0.7202 (ttm) cc_final: 0.6663 (ttm) REVERT: P 332 GLU cc_start: 0.8381 (mm-30) cc_final: 0.7938 (mm-30) REVERT: P 358 ASN cc_start: 0.8708 (m-40) cc_final: 0.7667 (t0) REVERT: P 360 GLU cc_start: 0.8518 (pt0) cc_final: 0.7694 (pt0) REVERT: P 365 PHE cc_start: 0.9619 (m-80) cc_final: 0.9223 (m-80) REVERT: P 373 LEU cc_start: 0.9224 (mt) cc_final: 0.9002 (mt) REVERT: P 396 ILE cc_start: 0.8183 (tt) cc_final: 0.7759 (tt) REVERT: P 436 GLU cc_start: 0.8493 (mt-10) cc_final: 0.7950 (mm-30) REVERT: P 453 TYR cc_start: 0.8959 (t80) cc_final: 0.8644 (t80) REVERT: P 456 GLU cc_start: 0.9181 (mp0) cc_final: 0.8671 (pp20) REVERT: P 459 GLU cc_start: 0.9175 (mt-10) cc_final: 0.8800 (mm-30) REVERT: P 461 GLU cc_start: 0.8479 (mt-10) cc_final: 0.8006 (mt-10) REVERT: P 469 MET cc_start: 0.9334 (tpt) cc_final: 0.8455 (tpt) REVERT: P 501 GLU cc_start: 0.9154 (mm-30) cc_final: 0.8713 (mm-30) REVERT: P 505 ILE cc_start: 0.7117 (mt) cc_final: 0.6570 (mt) outliers start: 14 outliers final: 4 residues processed: 7257 average time/residue: 1.3015 time to fit residues: 16631.8614 Evaluate side-chains 6265 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 6260 time to evaluate : 12.096 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 1552 optimal weight: 3.9990 chunk 1057 optimal weight: 0.6980 chunk 27 optimal weight: 1.9990 chunk 1387 optimal weight: 4.9990 chunk 768 optimal weight: 3.9990 chunk 1590 optimal weight: 6.9990 chunk 1288 optimal weight: 5.9990 chunk 2 optimal weight: 9.9990 chunk 951 optimal weight: 10.0000 chunk 1672 optimal weight: 0.9980 chunk 470 optimal weight: 0.9980 overall best weight: 1.7384 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 191 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** b 157 GLN ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 240 ASN ** b 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 240 ASN ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 123 GLN ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 257 GLN ** e 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 497 GLN f 180 HIS ** f 490 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 303 ASN g 381 ASN g 431 GLN h 78 ASN h 191 GLN ** h 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 381 ASN ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 180 HIS ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 381 ASN ** n 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 427 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 490 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 115 GLN ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 381 ASN q 398 GLN ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 105 ASN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 303 ASN ** s 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 157 GLN t 303 ASN ** t 466 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 381 ASN v 90 GLN ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 90 GLN ** x 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** y 183 GLN y 195 GLN y 381 ASN y 497 GLN z 265 GLN ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN ** z 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 240 ASN ** C 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 262 ASN E 442 ASN ** E 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 181 GLN G 135 ASN G 146 HIS G 159 HIS ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 355 ASN ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 442 ASN G 504 GLN I 48 ASN ** I 90 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** I 212 HIS ** I 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 483 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** J 23 GLN ** J 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** K 262 ASN ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 90 ASN ** L 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 323 ASN L 358 ASN ** M 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** M 212 HIS ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 425 ASN ** M 438 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 23 GLN ** P 303 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** P 504 GLN Total number of N/Q/H flips: 55 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7213 moved from start: 0.5857 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.102 153284 Z= 0.280 Angle : 0.725 13.827 207272 Z= 0.394 Chirality : 0.048 0.407 22633 Planarity : 0.005 0.175 27252 Dihedral : 5.777 45.996 21163 Min Nonbonded Distance : 2.039 Molprobity Statistics. All-atom Clashscore : 24.72 Ramachandran Plot: Outliers : 0.13 % Allowed : 8.68 % Favored : 91.19 % Rotamer: Outliers : 0.06 % Allowed : 2.26 % Favored : 97.67 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.28 (0.06), residues: 19365 helix: 0.59 (0.07), residues: 6018 sheet: -1.55 (0.09), residues: 3182 loop : -1.51 (0.06), residues: 10165 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.051 0.003 TRP J 150 HIS 0.011 0.002 HIS q 180 PHE 0.038 0.002 PHE P 403 TYR 0.047 0.002 TYR M 184 ARG 0.016 0.001 ARG i 380 *********************** REFINEMENT MACRO_CYCLE 5 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7087 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 10 poor density : 7077 time to evaluate : 12.095 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.8075 (m-70) cc_final: 0.7457 (m170) REVERT: a 79 ILE cc_start: 0.8193 (mt) cc_final: 0.7928 (mt) REVERT: a 83 GLN cc_start: 0.8627 (tp40) cc_final: 0.8084 (tm-30) REVERT: a 124 VAL cc_start: 0.8783 (p) cc_final: 0.8495 (m) REVERT: a 134 ASP cc_start: 0.8582 (t0) cc_final: 0.8269 (t0) REVERT: a 142 GLU cc_start: 0.8527 (pt0) cc_final: 0.7766 (pt0) REVERT: a 145 HIS cc_start: 0.8786 (t-90) cc_final: 0.8562 (t-90) REVERT: a 147 MET cc_start: 0.8393 (mmm) cc_final: 0.7820 (mmt) REVERT: a 256 LYS cc_start: 0.8710 (ptmt) cc_final: 0.8413 (ptpt) REVERT: a 289 GLU cc_start: 0.9171 (tm-30) cc_final: 0.8813 (tm-30) REVERT: a 294 LEU cc_start: 0.9454 (mt) cc_final: 0.9166 (mt) REVERT: a 301 GLU cc_start: 0.9382 (tt0) cc_final: 0.9038 (tt0) REVERT: a 334 PHE cc_start: 0.9085 (m-80) cc_final: 0.8732 (m-80) REVERT: a 336 ASP cc_start: 0.8266 (t0) cc_final: 0.7786 (t0) REVERT: a 345 TRP cc_start: 0.8903 (p-90) cc_final: 0.8320 (p-90) REVERT: a 350 PHE cc_start: 0.9487 (m-80) cc_final: 0.9015 (m-80) REVERT: a 363 GLU cc_start: 0.9323 (tp30) cc_final: 0.8297 (pt0) REVERT: a 364 ILE cc_start: 0.9479 (mm) cc_final: 0.9209 (mm) REVERT: a 376 ILE cc_start: 0.9246 (tt) cc_final: 0.8995 (tt) REVERT: a 400 LEU cc_start: 0.9095 (mt) cc_final: 0.8892 (mt) REVERT: a 404 PHE cc_start: 0.8296 (m-80) cc_final: 0.7682 (m-80) REVERT: a 430 LYS cc_start: 0.9171 (mmpt) cc_final: 0.8872 (mmpt) REVERT: a 432 ASP cc_start: 0.8351 (t70) cc_final: 0.8007 (t70) REVERT: a 443 GLU cc_start: 0.8758 (mm-30) cc_final: 0.8355 (mm-30) REVERT: a 444 MET cc_start: 0.8822 (ptp) cc_final: 0.8536 (ptp) REVERT: a 449 TYR cc_start: 0.8216 (m-10) cc_final: 0.7792 (m-80) REVERT: a 471 MET cc_start: 0.8234 (ppp) cc_final: 0.7897 (ppp) REVERT: a 481 ILE cc_start: 0.9430 (pt) cc_final: 0.8552 (pt) REVERT: a 490 GLN cc_start: 0.8399 (mm-40) cc_final: 0.7533 (mm-40) REVERT: a 505 ASN cc_start: 0.8320 (m110) cc_final: 0.8103 (m110) REVERT: b 105 ASN cc_start: 0.8851 (m-40) cc_final: 0.8187 (p0) REVERT: b 110 ASP cc_start: 0.7606 (m-30) cc_final: 0.7313 (t0) REVERT: b 133 LYS cc_start: 0.7726 (mtpp) cc_final: 0.7238 (tptt) REVERT: b 147 MET cc_start: 0.8026 (mtm) cc_final: 0.7423 (mtm) REVERT: b 153 MET cc_start: 0.8545 (mpp) cc_final: 0.8270 (mpp) REVERT: b 207 LYS cc_start: 0.9024 (mttt) cc_final: 0.8760 (mtmt) REVERT: b 209 ASP cc_start: 0.8940 (m-30) cc_final: 0.8404 (m-30) REVERT: b 216 MET cc_start: 0.9218 (mmm) cc_final: 0.8899 (mmm) REVERT: b 221 LEU cc_start: 0.9440 (mt) cc_final: 0.9087 (mt) REVERT: b 223 GLU cc_start: 0.7297 (pm20) cc_final: 0.6850 (pm20) REVERT: b 226 GLU cc_start: 0.9225 (pp20) cc_final: 0.8779 (pp20) REVERT: b 228 MET cc_start: 0.7812 (ptm) cc_final: 0.7505 (ptm) REVERT: b 234 GLU cc_start: 0.8953 (tt0) cc_final: 0.8670 (tt0) REVERT: b 247 TRP cc_start: 0.7842 (m100) cc_final: 0.6235 (m100) REVERT: b 252 PHE cc_start: 0.8461 (p90) cc_final: 0.7905 (p90) REVERT: b 257 GLN cc_start: 0.9053 (pt0) cc_final: 0.7764 (pm20) REVERT: b 311 ASN cc_start: 0.9299 (m-40) cc_final: 0.9070 (m-40) REVERT: b 334 PHE cc_start: 0.7289 (m-80) cc_final: 0.6968 (m-80) REVERT: b 350 PHE cc_start: 0.9666 (m-10) cc_final: 0.9274 (m-10) REVERT: b 372 GLU cc_start: 0.9209 (tp30) cc_final: 0.8930 (tp30) REVERT: b 375 PHE cc_start: 0.9330 (p90) cc_final: 0.9105 (p90) REVERT: b 390 ASP cc_start: 0.8699 (t70) cc_final: 0.8401 (t70) REVERT: b 404 PHE cc_start: 0.7962 (m-80) cc_final: 0.7612 (m-80) REVERT: b 420 LYS cc_start: 0.7963 (tmtt) cc_final: 0.7631 (tptp) REVERT: b 427 GLN cc_start: 0.9171 (pt0) cc_final: 0.8922 (pt0) REVERT: b 428 TYR cc_start: 0.9334 (m-80) cc_final: 0.8259 (m-80) REVERT: b 442 ASN cc_start: 0.8707 (t0) cc_final: 0.8447 (t0) REVERT: b 443 GLU cc_start: 0.8414 (pp20) cc_final: 0.7960 (pp20) REVERT: b 459 LEU cc_start: 0.5741 (tp) cc_final: 0.5470 (tt) REVERT: b 483 PRO cc_start: 0.9427 (Cg_exo) cc_final: 0.8537 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8719 (m-80) cc_final: 0.6663 (m-10) REVERT: b 486 GLU cc_start: 0.9054 (pm20) cc_final: 0.8377 (tm-30) REVERT: b 507 LEU cc_start: 0.7907 (tt) cc_final: 0.7624 (tt) REVERT: b 509 LYS cc_start: 0.9053 (mttt) cc_final: 0.8813 (mttm) REVERT: b 510 ASN cc_start: 0.9437 (t0) cc_final: 0.8407 (p0) REVERT: b 513 PHE cc_start: 0.9149 (m-80) cc_final: 0.8513 (m-80) REVERT: c 96 MET cc_start: 0.4268 (ptp) cc_final: 0.3978 (ptt) REVERT: c 131 TYR cc_start: 0.8712 (p90) cc_final: 0.8038 (p90) REVERT: c 144 PHE cc_start: 0.9260 (m-80) cc_final: 0.9034 (m-80) REVERT: c 151 ASP cc_start: 0.8051 (t0) cc_final: 0.7362 (t0) REVERT: c 166 LEU cc_start: 0.9164 (mt) cc_final: 0.8948 (mt) REVERT: c 183 GLN cc_start: 0.9235 (tm-30) cc_final: 0.8980 (tm-30) REVERT: c 191 GLN cc_start: 0.8947 (tt0) cc_final: 0.8024 (mm-40) REVERT: c 213 LYS cc_start: 0.9235 (ptpp) cc_final: 0.9017 (pttm) REVERT: c 250 MET cc_start: 0.6883 (mtt) cc_final: 0.6100 (mmt) REVERT: c 294 LEU cc_start: 0.9666 (mt) cc_final: 0.9317 (mt) REVERT: c 301 GLU cc_start: 0.9230 (mt-10) cc_final: 0.8696 (mt-10) REVERT: c 305 GLU cc_start: 0.9434 (tt0) cc_final: 0.9023 (tt0) REVERT: c 333 ASP cc_start: 0.8968 (t0) cc_final: 0.8715 (t0) REVERT: c 336 ASP cc_start: 0.8218 (t0) cc_final: 0.7799 (t0) REVERT: c 351 LYS cc_start: 0.9709 (mttm) cc_final: 0.9304 (mttm) REVERT: c 363 GLU cc_start: 0.8688 (tp30) cc_final: 0.8305 (tp30) REVERT: c 366 ARG cc_start: 0.8397 (ttm-80) cc_final: 0.8162 (ttm-80) REVERT: c 390 ASP cc_start: 0.8482 (t0) cc_final: 0.8256 (t0) REVERT: c 400 LEU cc_start: 0.9613 (mt) cc_final: 0.9321 (mt) REVERT: c 463 ASP cc_start: 0.8833 (t0) cc_final: 0.8456 (t0) REVERT: c 512 TYR cc_start: 0.9550 (m-80) cc_final: 0.9327 (m-80) REVERT: d 96 MET cc_start: 0.8637 (tpp) cc_final: 0.8055 (tpp) REVERT: d 106 LEU cc_start: 0.9030 (mp) cc_final: 0.8697 (mp) REVERT: d 182 PHE cc_start: 0.8840 (m-80) cc_final: 0.8293 (m-80) REVERT: d 183 GLN cc_start: 0.8835 (tm-30) cc_final: 0.8574 (tm-30) REVERT: d 209 ASP cc_start: 0.8202 (m-30) cc_final: 0.7796 (m-30) REVERT: d 224 ILE cc_start: 0.8952 (tp) cc_final: 0.8266 (pt) REVERT: d 226 GLU cc_start: 0.7730 (tm-30) cc_final: 0.7470 (tm-30) REVERT: d 250 MET cc_start: 0.8943 (mpp) cc_final: 0.8404 (mpp) REVERT: d 276 GLN cc_start: 0.9436 (mm-40) cc_final: 0.9186 (mt0) REVERT: d 279 ARG cc_start: 0.8501 (ttm-80) cc_final: 0.8198 (tpp80) REVERT: d 284 MET cc_start: 0.9032 (mmm) cc_final: 0.8523 (mmm) REVERT: d 294 LEU cc_start: 0.9818 (mm) cc_final: 0.9513 (mm) REVERT: d 318 LYS cc_start: 0.9613 (tptp) cc_final: 0.9049 (tmtt) REVERT: d 328 LYS cc_start: 0.8243 (mmpt) cc_final: 0.7753 (tptp) REVERT: d 332 PHE cc_start: 0.9228 (t80) cc_final: 0.8384 (t80) REVERT: d 333 ASP cc_start: 0.7409 (t0) cc_final: 0.6858 (t0) REVERT: d 334 PHE cc_start: 0.8112 (m-80) cc_final: 0.7554 (m-80) REVERT: d 336 ASP cc_start: 0.8584 (t0) cc_final: 0.7839 (t0) REVERT: d 363 GLU cc_start: 0.9244 (tp30) cc_final: 0.8641 (tp30) REVERT: d 384 ASN cc_start: 0.9109 (m-40) cc_final: 0.8894 (m-40) REVERT: d 390 ASP cc_start: 0.9030 (t0) cc_final: 0.8662 (t70) REVERT: d 391 THR cc_start: 0.9395 (p) cc_final: 0.8838 (t) REVERT: d 412 VAL cc_start: 0.9249 (m) cc_final: 0.8901 (m) REVERT: d 424 TYR cc_start: 0.8872 (m-80) cc_final: 0.7847 (m-10) REVERT: d 428 TYR cc_start: 0.8973 (m-80) cc_final: 0.8663 (m-10) REVERT: d 513 PHE cc_start: 0.9524 (m-80) cc_final: 0.9201 (m-80) REVERT: d 515 ARG cc_start: 0.8855 (tmm160) cc_final: 0.8227 (tmm-80) REVERT: e 105 ASN cc_start: 0.9272 (t0) cc_final: 0.8954 (m-40) REVERT: e 117 MET cc_start: 0.9476 (mmm) cc_final: 0.9263 (mmm) REVERT: e 123 GLN cc_start: 0.9220 (pt0) cc_final: 0.8755 (pt0) REVERT: e 147 MET cc_start: 0.8694 (mmt) cc_final: 0.8199 (mmm) REVERT: e 194 VAL cc_start: 0.8325 (t) cc_final: 0.7974 (t) REVERT: e 195 GLN cc_start: 0.8846 (pm20) cc_final: 0.8264 (mp10) REVERT: e 228 MET cc_start: 0.8763 (ttp) cc_final: 0.8386 (ttp) REVERT: e 250 MET cc_start: 0.8138 (mpp) cc_final: 0.7531 (pmm) REVERT: e 252 PHE cc_start: 0.9524 (p90) cc_final: 0.8811 (p90) REVERT: e 266 LEU cc_start: 0.9664 (mt) cc_final: 0.9387 (mt) REVERT: e 309 TRP cc_start: 0.9261 (m100) cc_final: 0.8937 (m100) REVERT: e 315 GLN cc_start: 0.8100 (mt0) cc_final: 0.7791 (mt0) REVERT: e 321 MET cc_start: 0.7610 (mtm) cc_final: 0.7252 (ptp) REVERT: e 344 ARG cc_start: 0.7762 (mmt180) cc_final: 0.7207 (mmt90) REVERT: e 351 LYS cc_start: 0.8561 (mttm) cc_final: 0.8319 (mttm) REVERT: e 359 LYS cc_start: 0.9495 (mtpt) cc_final: 0.9083 (mtpt) REVERT: e 381 ASN cc_start: 0.9678 (m110) cc_final: 0.9459 (m110) REVERT: e 390 ASP cc_start: 0.8464 (t0) cc_final: 0.8215 (t70) REVERT: e 391 THR cc_start: 0.9291 (p) cc_final: 0.9051 (p) REVERT: e 400 LEU cc_start: 0.9324 (mt) cc_final: 0.9099 (mt) REVERT: e 405 SER cc_start: 0.9022 (m) cc_final: 0.8712 (p) REVERT: e 426 ASP cc_start: 0.9339 (t0) cc_final: 0.9108 (t0) REVERT: e 452 PRO cc_start: 0.9327 (Cg_endo) cc_final: 0.8642 (Cg_exo) REVERT: e 454 VAL cc_start: 0.8655 (t) cc_final: 0.8397 (t) REVERT: e 463 ASP cc_start: 0.9276 (t0) cc_final: 0.9016 (t0) REVERT: e 471 MET cc_start: 0.6986 (tmm) cc_final: 0.6669 (tmm) REVERT: e 474 LYS cc_start: 0.9241 (mtpp) cc_final: 0.8949 (mtpt) REVERT: e 482 ASN cc_start: 0.9236 (t0) cc_final: 0.8688 (t0) REVERT: e 497 GLN cc_start: 0.8901 (mm-40) cc_final: 0.8465 (mm-40) REVERT: e 513 PHE cc_start: 0.9566 (m-80) cc_final: 0.8913 (m-80) REVERT: e 514 ARG cc_start: 0.8972 (mtp85) cc_final: 0.8558 (mtp85) REVERT: f 96 MET cc_start: 0.8620 (mtm) cc_final: 0.7879 (mtm) REVERT: f 124 VAL cc_start: 0.8731 (p) cc_final: 0.8521 (p) REVERT: f 131 TYR cc_start: 0.8371 (p90) cc_final: 0.7909 (p90) REVERT: f 145 HIS cc_start: 0.9294 (t-90) cc_final: 0.7770 (t-90) REVERT: f 147 MET cc_start: 0.8491 (mmm) cc_final: 0.7458 (mmm) REVERT: f 166 LEU cc_start: 0.9446 (mt) cc_final: 0.9232 (mt) REVERT: f 177 ILE cc_start: 0.9010 (mp) cc_final: 0.8789 (mm) REVERT: f 199 ASP cc_start: 0.8514 (m-30) cc_final: 0.8278 (t0) REVERT: f 247 TRP cc_start: 0.8816 (m-10) cc_final: 0.8362 (m100) REVERT: f 267 LYS cc_start: 0.9110 (pttt) cc_final: 0.8794 (pttp) REVERT: f 277 ASP cc_start: 0.9536 (m-30) cc_final: 0.9284 (m-30) REVERT: f 299 MET cc_start: 0.8806 (mmm) cc_final: 0.8531 (mmm) REVERT: f 303 ASN cc_start: 0.8880 (t0) cc_final: 0.8415 (t0) REVERT: f 311 ASN cc_start: 0.9562 (m-40) cc_final: 0.9288 (m-40) REVERT: f 318 LYS cc_start: 0.9501 (mttm) cc_final: 0.8645 (mttm) REVERT: f 334 PHE cc_start: 0.9310 (m-80) cc_final: 0.8897 (m-80) REVERT: f 350 PHE cc_start: 0.9550 (m-80) cc_final: 0.9020 (m-80) REVERT: f 359 LYS cc_start: 0.9473 (tttt) cc_final: 0.9234 (mtmm) REVERT: f 360 GLU cc_start: 0.9554 (mm-30) cc_final: 0.8937 (mm-30) REVERT: f 375 PHE cc_start: 0.9482 (p90) cc_final: 0.9119 (p90) REVERT: f 386 LEU cc_start: 0.9791 (mt) cc_final: 0.9561 (mt) REVERT: f 390 ASP cc_start: 0.9129 (t0) cc_final: 0.8879 (t0) REVERT: f 391 THR cc_start: 0.9399 (p) cc_final: 0.9167 (p) REVERT: f 404 PHE cc_start: 0.9104 (m-80) cc_final: 0.8764 (m-80) REVERT: f 417 LEU cc_start: 0.9503 (tp) cc_final: 0.9244 (tp) REVERT: f 426 ASP cc_start: 0.9154 (t0) cc_final: 0.8737 (t0) REVERT: f 428 TYR cc_start: 0.9592 (m-80) cc_final: 0.8759 (m-80) REVERT: f 442 ASN cc_start: 0.8252 (p0) cc_final: 0.7474 (p0) REVERT: f 462 SER cc_start: 0.9174 (p) cc_final: 0.8786 (t) REVERT: f 463 ASP cc_start: 0.8918 (t0) cc_final: 0.8420 (t70) REVERT: f 486 GLU cc_start: 0.8635 (tm-30) cc_final: 0.7905 (mp0) REVERT: f 510 ASN cc_start: 0.9135 (t0) cc_final: 0.8439 (t0) REVERT: f 513 PHE cc_start: 0.9255 (m-80) cc_final: 0.8904 (m-80) REVERT: g 128 ARG cc_start: 0.8682 (mtt-85) cc_final: 0.7606 (mtt180) REVERT: g 131 TYR cc_start: 0.8507 (p90) cc_final: 0.8076 (p90) REVERT: g 134 ASP cc_start: 0.8633 (t0) cc_final: 0.8268 (t0) REVERT: g 142 GLU cc_start: 0.7761 (tt0) cc_final: 0.6673 (tt0) REVERT: g 144 PHE cc_start: 0.9521 (m-80) cc_final: 0.9321 (m-80) REVERT: g 145 HIS cc_start: 0.9317 (t-90) cc_final: 0.8870 (t-90) REVERT: g 147 MET cc_start: 0.8969 (tpt) cc_final: 0.8559 (tpp) REVERT: g 148 TYR cc_start: 0.9172 (m-80) cc_final: 0.8118 (m-80) REVERT: g 161 LYS cc_start: 0.9261 (mmpt) cc_final: 0.9036 (mmmm) REVERT: g 176 ASP cc_start: 0.8281 (t0) cc_final: 0.7674 (p0) REVERT: g 178 TYR cc_start: 0.8839 (m-10) cc_final: 0.8623 (m-10) REVERT: g 180 HIS cc_start: 0.7823 (t70) cc_final: 0.7284 (t-90) REVERT: g 199 ASP cc_start: 0.8095 (t0) cc_final: 0.7770 (t0) REVERT: g 207 LYS cc_start: 0.9070 (mttt) cc_final: 0.8772 (mttp) REVERT: g 212 ILE cc_start: 0.9767 (mt) cc_final: 0.9334 (mt) REVERT: g 216 MET cc_start: 0.9683 (mtm) cc_final: 0.9161 (mtm) REVERT: g 245 ASN cc_start: 0.8472 (t0) cc_final: 0.8139 (t0) REVERT: g 249 GLU cc_start: 0.7413 (pm20) cc_final: 0.6537 (pm20) REVERT: g 250 MET cc_start: 0.8882 (mtp) cc_final: 0.7727 (ptp) REVERT: g 266 LEU cc_start: 0.9571 (mt) cc_final: 0.9317 (mt) REVERT: g 270 TYR cc_start: 0.7865 (p90) cc_final: 0.7555 (p90) REVERT: g 273 GLU cc_start: 0.9095 (mp0) cc_final: 0.8034 (tp30) REVERT: g 287 ASP cc_start: 0.9370 (t70) cc_final: 0.8928 (t0) REVERT: g 299 MET cc_start: 0.8796 (ttt) cc_final: 0.8503 (ttt) REVERT: g 311 ASN cc_start: 0.9887 (m-40) cc_final: 0.9568 (t0) REVERT: g 315 GLN cc_start: 0.7226 (mt0) cc_final: 0.6787 (mp10) REVERT: g 351 LYS cc_start: 0.9398 (mmtt) cc_final: 0.9125 (mmtt) REVERT: g 363 GLU cc_start: 0.9539 (tp30) cc_final: 0.9329 (tp30) REVERT: g 372 GLU cc_start: 0.8851 (pt0) cc_final: 0.8100 (mt-10) REVERT: g 404 PHE cc_start: 0.9344 (m-80) cc_final: 0.9006 (m-80) REVERT: g 426 ASP cc_start: 0.8702 (t0) cc_final: 0.8226 (t0) REVERT: g 442 ASN cc_start: 0.8754 (t0) cc_final: 0.8500 (t0) REVERT: g 471 MET cc_start: 0.8306 (mmm) cc_final: 0.8030 (mmm) REVERT: g 481 ILE cc_start: 0.9390 (mp) cc_final: 0.9173 (mp) REVERT: g 482 ASN cc_start: 0.8812 (t0) cc_final: 0.7605 (m-40) REVERT: g 500 MET cc_start: 0.9122 (ttm) cc_final: 0.8720 (mmt) REVERT: g 513 PHE cc_start: 0.9507 (m-80) cc_final: 0.8838 (m-80) REVERT: h 72 HIS cc_start: 0.7030 (m-70) cc_final: 0.6691 (m90) REVERT: h 112 CYS cc_start: 0.9353 (m) cc_final: 0.8881 (t) REVERT: h 115 GLN cc_start: 0.6336 (mp10) cc_final: 0.6075 (mp10) REVERT: h 117 MET cc_start: 0.8924 (mtp) cc_final: 0.8545 (mtp) REVERT: h 151 ASP cc_start: 0.8152 (t0) cc_final: 0.7421 (t70) REVERT: h 153 MET cc_start: 0.9075 (mpp) cc_final: 0.8471 (mpp) REVERT: h 166 LEU cc_start: 0.9481 (mt) cc_final: 0.8990 (mt) REVERT: h 180 HIS cc_start: 0.8674 (t-90) cc_final: 0.8295 (t-90) REVERT: h 194 VAL cc_start: 0.8846 (t) cc_final: 0.8559 (p) REVERT: h 198 ILE cc_start: 0.9031 (tt) cc_final: 0.8429 (tt) REVERT: h 211 GLU cc_start: 0.9197 (tp30) cc_final: 0.8691 (tp30) REVERT: h 215 GLN cc_start: 0.9658 (mt0) cc_final: 0.9238 (mm110) REVERT: h 228 MET cc_start: 0.8258 (ptp) cc_final: 0.7916 (ptp) REVERT: h 247 TRP cc_start: 0.8914 (m-10) cc_final: 0.7642 (m100) REVERT: h 250 MET cc_start: 0.9019 (mtm) cc_final: 0.7812 (ptm) REVERT: h 257 GLN cc_start: 0.8911 (pt0) cc_final: 0.8682 (pt0) REVERT: h 258 VAL cc_start: 0.9707 (p) cc_final: 0.9380 (p) REVERT: h 304 ARG cc_start: 0.9029 (tpp-160) cc_final: 0.8697 (tpm170) REVERT: h 339 ASP cc_start: 0.8288 (m-30) cc_final: 0.8087 (m-30) REVERT: h 345 TRP cc_start: 0.8699 (p-90) cc_final: 0.7263 (p-90) REVERT: h 357 ILE cc_start: 0.9678 (mt) cc_final: 0.9349 (mt) REVERT: h 360 GLU cc_start: 0.9560 (mt-10) cc_final: 0.9359 (mt-10) REVERT: h 363 GLU cc_start: 0.9562 (tp30) cc_final: 0.8929 (tp30) REVERT: h 372 GLU cc_start: 0.9208 (pm20) cc_final: 0.8964 (mp0) REVERT: h 404 PHE cc_start: 0.6755 (m-80) cc_final: 0.6307 (m-80) REVERT: h 426 ASP cc_start: 0.9308 (t0) cc_final: 0.8745 (t0) REVERT: h 432 ASP cc_start: 0.8225 (t0) cc_final: 0.7685 (t70) REVERT: h 442 ASN cc_start: 0.8532 (t0) cc_final: 0.8306 (t0) REVERT: h 457 THR cc_start: 0.9088 (m) cc_final: 0.8820 (p) REVERT: h 484 PHE cc_start: 0.9150 (m-10) cc_final: 0.8521 (m-80) REVERT: h 504 LEU cc_start: 0.9128 (mt) cc_final: 0.8726 (tt) REVERT: h 518 VAL cc_start: 0.9093 (m) cc_final: 0.8882 (m) REVERT: i 71 ASP cc_start: 0.7823 (t0) cc_final: 0.7289 (t0) REVERT: i 103 ILE cc_start: 0.8289 (mt) cc_final: 0.7504 (mt) REVERT: i 110 ASP cc_start: 0.8206 (m-30) cc_final: 0.7832 (m-30) REVERT: i 117 MET cc_start: 0.6528 (ttt) cc_final: 0.5895 (ttt) REVERT: i 145 HIS cc_start: 0.8538 (t-90) cc_final: 0.6781 (t-90) REVERT: i 147 MET cc_start: 0.8481 (mmm) cc_final: 0.7786 (mmm) REVERT: i 148 TYR cc_start: 0.8615 (m-80) cc_final: 0.7653 (m-80) REVERT: i 151 ASP cc_start: 0.8664 (t0) cc_final: 0.8428 (t0) REVERT: i 163 PHE cc_start: 0.7567 (m-10) cc_final: 0.7364 (m-10) REVERT: i 176 ASP cc_start: 0.8577 (m-30) cc_final: 0.8375 (m-30) REVERT: i 191 GLN cc_start: 0.9611 (tt0) cc_final: 0.9304 (tp-100) REVERT: i 199 ASP cc_start: 0.7947 (t70) cc_final: 0.7727 (t70) REVERT: i 216 MET cc_start: 0.9530 (mtp) cc_final: 0.9264 (mtp) REVERT: i 250 MET cc_start: 0.7782 (mtm) cc_final: 0.6935 (ptp) REVERT: i 257 GLN cc_start: 0.8781 (pt0) cc_final: 0.8278 (pt0) REVERT: i 289 GLU cc_start: 0.9333 (mm-30) cc_final: 0.9128 (mm-30) REVERT: i 300 LEU cc_start: 0.9074 (mt) cc_final: 0.8858 (mt) REVERT: i 336 ASP cc_start: 0.7639 (t0) cc_final: 0.7235 (t0) REVERT: i 348 GLU cc_start: 0.9039 (mt-10) cc_final: 0.8164 (mp0) REVERT: i 351 LYS cc_start: 0.9455 (ttmt) cc_final: 0.9110 (ttmt) REVERT: i 353 LEU cc_start: 0.9669 (tp) cc_final: 0.9334 (tp) REVERT: i 356 GLN cc_start: 0.9127 (mp10) cc_final: 0.8779 (mp10) REVERT: i 359 LYS cc_start: 0.9757 (ptmt) cc_final: 0.9225 (pptt) REVERT: i 390 ASP cc_start: 0.9008 (t0) cc_final: 0.8641 (t70) REVERT: i 426 ASP cc_start: 0.8588 (t0) cc_final: 0.8303 (t0) REVERT: i 444 MET cc_start: 0.8940 (mmm) cc_final: 0.8112 (tpp) REVERT: i 448 ILE cc_start: 0.8736 (mm) cc_final: 0.8314 (mm) REVERT: i 463 ASP cc_start: 0.9259 (t0) cc_final: 0.8999 (t0) REVERT: i 513 PHE cc_start: 0.8891 (m-10) cc_final: 0.8538 (m-10) REVERT: i 514 ARG cc_start: 0.6216 (mmm160) cc_final: 0.5786 (mmm-85) REVERT: j 68 ILE cc_start: 0.9332 (mp) cc_final: 0.8725 (mp) REVERT: j 117 MET cc_start: 0.7853 (mmt) cc_final: 0.7332 (mmm) REVERT: j 131 TYR cc_start: 0.9009 (p90) cc_final: 0.8645 (p90) REVERT: j 144 PHE cc_start: 0.9080 (m-80) cc_final: 0.8021 (m-80) REVERT: j 154 PHE cc_start: 0.9024 (t80) cc_final: 0.8686 (t80) REVERT: j 182 PHE cc_start: 0.9393 (m-80) cc_final: 0.8533 (m-80) REVERT: j 204 ASP cc_start: 0.9005 (t70) cc_final: 0.8770 (t70) REVERT: j 209 ASP cc_start: 0.9547 (m-30) cc_final: 0.8891 (m-30) REVERT: j 213 LYS cc_start: 0.9232 (mttt) cc_final: 0.8505 (tppt) REVERT: j 215 GLN cc_start: 0.9211 (mm110) cc_final: 0.8994 (mm110) REVERT: j 216 MET cc_start: 0.8850 (mmm) cc_final: 0.8423 (mmm) REVERT: j 250 MET cc_start: 0.8465 (mtp) cc_final: 0.7796 (ptm) REVERT: j 305 GLU cc_start: 0.9450 (tt0) cc_final: 0.8857 (tt0) REVERT: j 309 TRP cc_start: 0.9536 (m100) cc_final: 0.9264 (m100) REVERT: j 336 ASP cc_start: 0.7639 (t0) cc_final: 0.7174 (t0) REVERT: j 395 TYR cc_start: 0.7276 (t80) cc_final: 0.6885 (t80) REVERT: j 404 PHE cc_start: 0.8048 (m-80) cc_final: 0.7115 (m-80) REVERT: j 420 LYS cc_start: 0.8768 (tptp) cc_final: 0.8239 (tptp) REVERT: j 428 TYR cc_start: 0.9238 (m-80) cc_final: 0.8961 (m-10) REVERT: j 459 LEU cc_start: 0.7705 (mt) cc_final: 0.7395 (mt) REVERT: j 486 GLU cc_start: 0.8119 (tt0) cc_final: 0.7815 (tt0) REVERT: k 110 ASP cc_start: 0.8912 (t0) cc_final: 0.8493 (t0) REVERT: k 115 GLN cc_start: 0.9302 (tp40) cc_final: 0.8908 (tm-30) REVERT: k 118 ASN cc_start: 0.9558 (p0) cc_final: 0.9293 (p0) REVERT: k 125 PHE cc_start: 0.8313 (m-80) cc_final: 0.7647 (m-80) REVERT: k 183 GLN cc_start: 0.8816 (mt0) cc_final: 0.8588 (mp10) REVERT: k 189 TYR cc_start: 0.8384 (m-80) cc_final: 0.6881 (m-80) REVERT: k 199 ASP cc_start: 0.7069 (t0) cc_final: 0.6557 (t0) REVERT: k 212 ILE cc_start: 0.9772 (mt) cc_final: 0.9542 (mt) REVERT: k 214 LYS cc_start: 0.8123 (tttt) cc_final: 0.7845 (ptmm) REVERT: k 247 TRP cc_start: 0.8457 (m-90) cc_final: 0.7515 (m-90) REVERT: k 274 LEU cc_start: 0.9565 (tp) cc_final: 0.9329 (tp) REVERT: k 279 ARG cc_start: 0.9015 (tpt170) cc_final: 0.8354 (mtp180) REVERT: k 282 HIS cc_start: 0.8874 (t-170) cc_final: 0.8603 (t-170) REVERT: k 293 ILE cc_start: 0.9164 (OUTLIER) cc_final: 0.8482 (tp) REVERT: k 297 GLU cc_start: 0.9258 (mm-30) cc_final: 0.8427 (mm-30) REVERT: k 299 MET cc_start: 0.8948 (mtp) cc_final: 0.8682 (mtm) REVERT: k 309 TRP cc_start: 0.9115 (m100) cc_final: 0.8084 (m100) REVERT: k 311 ASN cc_start: 0.9680 (m-40) cc_final: 0.9194 (t0) REVERT: k 322 THR cc_start: 0.9254 (p) cc_final: 0.8963 (p) REVERT: k 333 ASP cc_start: 0.9041 (t0) cc_final: 0.8816 (t0) REVERT: k 336 ASP cc_start: 0.8715 (t0) cc_final: 0.8450 (t0) REVERT: k 351 LYS cc_start: 0.9449 (mttm) cc_final: 0.8992 (mttm) REVERT: k 354 LEU cc_start: 0.9589 (mt) cc_final: 0.9292 (mt) REVERT: k 359 LYS cc_start: 0.9603 (tttt) cc_final: 0.9322 (tttt) REVERT: k 376 ILE cc_start: 0.9499 (tp) cc_final: 0.9270 (tp) REVERT: k 384 ASN cc_start: 0.9399 (m-40) cc_final: 0.9157 (m-40) REVERT: k 390 ASP cc_start: 0.9328 (t0) cc_final: 0.9012 (t70) REVERT: k 391 THR cc_start: 0.9479 (p) cc_final: 0.9041 (t) REVERT: k 400 LEU cc_start: 0.9300 (mt) cc_final: 0.9093 (mt) REVERT: k 404 PHE cc_start: 0.9034 (m-80) cc_final: 0.8756 (m-80) REVERT: k 410 LYS cc_start: 0.8704 (mttt) cc_final: 0.8460 (mttt) REVERT: k 443 GLU cc_start: 0.9000 (tp30) cc_final: 0.8260 (tp30) REVERT: k 444 MET cc_start: 0.8765 (mtp) cc_final: 0.8560 (mmp) REVERT: k 449 TYR cc_start: 0.9042 (m-80) cc_final: 0.8075 (m-80) REVERT: k 471 MET cc_start: 0.7530 (tmm) cc_final: 0.7201 (tmm) REVERT: k 473 PHE cc_start: 0.8143 (m-80) cc_final: 0.6770 (m-80) REVERT: k 481 ILE cc_start: 0.8920 (mp) cc_final: 0.8621 (mp) REVERT: k 482 ASN cc_start: 0.9329 (t0) cc_final: 0.8892 (t0) REVERT: k 490 GLN cc_start: 0.9438 (mp10) cc_final: 0.8684 (mm-40) REVERT: k 513 PHE cc_start: 0.9085 (m-80) cc_final: 0.8677 (m-80) REVERT: k 518 VAL cc_start: 0.9688 (m) cc_final: 0.9458 (m) REVERT: l 72 HIS cc_start: 0.8478 (m-70) cc_final: 0.7720 (m90) REVERT: l 74 TYR cc_start: 0.8619 (m-80) cc_final: 0.8303 (m-80) REVERT: l 98 MET cc_start: 0.7592 (ppp) cc_final: 0.7140 (ppp) REVERT: l 105 ASN cc_start: 0.9424 (t0) cc_final: 0.8983 (p0) REVERT: l 144 PHE cc_start: 0.9392 (m-80) cc_final: 0.7973 (m-80) REVERT: l 145 HIS cc_start: 0.9254 (t-170) cc_final: 0.7320 (t-170) REVERT: l 147 MET cc_start: 0.8756 (mmp) cc_final: 0.8098 (mmp) REVERT: l 148 TYR cc_start: 0.8438 (m-10) cc_final: 0.7925 (m-10) REVERT: l 151 ASP cc_start: 0.9109 (t0) cc_final: 0.8641 (t0) REVERT: l 163 PHE cc_start: 0.8269 (m-80) cc_final: 0.8015 (m-80) REVERT: l 198 ILE cc_start: 0.9545 (tp) cc_final: 0.9211 (tp) REVERT: l 199 ASP cc_start: 0.8999 (t0) cc_final: 0.8091 (t0) REVERT: l 207 LYS cc_start: 0.8974 (mttt) cc_final: 0.8422 (ptmt) REVERT: l 211 GLU cc_start: 0.9085 (tp30) cc_final: 0.8850 (tp30) REVERT: l 216 MET cc_start: 0.9441 (mtm) cc_final: 0.9175 (mtm) REVERT: l 236 GLN cc_start: 0.8896 (mm-40) cc_final: 0.8260 (mm-40) REVERT: l 245 ASN cc_start: 0.6340 (p0) cc_final: 0.5713 (p0) REVERT: l 247 TRP cc_start: 0.8646 (m100) cc_final: 0.7881 (m100) REVERT: l 252 PHE cc_start: 0.9355 (p90) cc_final: 0.9087 (p90) REVERT: l 260 GLU cc_start: 0.7788 (tp30) cc_final: 0.7372 (tp30) REVERT: l 267 LYS cc_start: 0.8564 (ttpt) cc_final: 0.8197 (ttpt) REVERT: l 297 GLU cc_start: 0.9557 (tp30) cc_final: 0.8637 (tp30) REVERT: l 301 GLU cc_start: 0.8205 (tt0) cc_final: 0.7767 (tt0) REVERT: l 309 TRP cc_start: 0.8997 (m100) cc_final: 0.7908 (m100) REVERT: l 315 GLN cc_start: 0.8269 (mm110) cc_final: 0.8007 (mm110) REVERT: l 321 MET cc_start: 0.9228 (mpp) cc_final: 0.8830 (mpp) REVERT: l 350 PHE cc_start: 0.9663 (m-80) cc_final: 0.9229 (m-80) REVERT: l 363 GLU cc_start: 0.9353 (tp30) cc_final: 0.8610 (tp30) REVERT: l 366 ARG cc_start: 0.9160 (ttt-90) cc_final: 0.8285 (tmm-80) REVERT: l 370 ARG cc_start: 0.8988 (mmp-170) cc_final: 0.8772 (mmm-85) REVERT: l 381 ASN cc_start: 0.9368 (m-40) cc_final: 0.9036 (m-40) REVERT: l 386 LEU cc_start: 0.9591 (mt) cc_final: 0.9288 (mt) REVERT: l 390 ASP cc_start: 0.8573 (t70) cc_final: 0.8225 (t70) REVERT: l 443 GLU cc_start: 0.8614 (mt-10) cc_final: 0.8334 (mt-10) REVERT: l 466 ASN cc_start: 0.9496 (p0) cc_final: 0.8689 (p0) REVERT: l 481 ILE cc_start: 0.9087 (pt) cc_final: 0.8379 (pt) REVERT: l 500 MET cc_start: 0.8992 (ptp) cc_final: 0.8648 (mtp) REVERT: l 512 TYR cc_start: 0.9230 (m-80) cc_final: 0.8785 (m-10) REVERT: l 514 ARG cc_start: 0.9245 (tpp80) cc_final: 0.8882 (tpp80) REVERT: m 96 MET cc_start: 0.8396 (ppp) cc_final: 0.8050 (ppp) REVERT: m 131 TYR cc_start: 0.9215 (p90) cc_final: 0.8617 (p90) REVERT: m 145 HIS cc_start: 0.8677 (t-90) cc_final: 0.7600 (t-90) REVERT: m 161 LYS cc_start: 0.9032 (tmtt) cc_final: 0.8812 (tptp) REVERT: m 163 PHE cc_start: 0.9024 (m-80) cc_final: 0.8617 (m-80) REVERT: m 216 MET cc_start: 0.9322 (mtp) cc_final: 0.8901 (mtp) REVERT: m 272 ILE cc_start: 0.7988 (mt) cc_final: 0.7296 (mt) REVERT: m 276 GLN cc_start: 0.9003 (pt0) cc_final: 0.8695 (pp30) REVERT: m 309 TRP cc_start: 0.9297 (m100) cc_final: 0.8787 (m100) REVERT: m 332 PHE cc_start: 0.9094 (t80) cc_final: 0.8600 (t80) REVERT: m 390 ASP cc_start: 0.8963 (t0) cc_final: 0.8560 (t0) REVERT: m 400 LEU cc_start: 0.9144 (mt) cc_final: 0.8666 (mt) REVERT: m 421 TYR cc_start: 0.8839 (m-10) cc_final: 0.8559 (m-80) REVERT: m 426 ASP cc_start: 0.8870 (t0) cc_final: 0.8535 (t0) REVERT: m 432 ASP cc_start: 0.7461 (t0) cc_final: 0.6460 (t0) REVERT: m 433 TYR cc_start: 0.8110 (p90) cc_final: 0.7807 (p90) REVERT: m 463 ASP cc_start: 0.9171 (t0) cc_final: 0.8953 (t0) REVERT: m 468 GLN cc_start: 0.8963 (mm-40) cc_final: 0.8667 (mm-40) REVERT: m 473 PHE cc_start: 0.8743 (m-80) cc_final: 0.8078 (m-80) REVERT: m 484 PHE cc_start: 0.8631 (m-80) cc_final: 0.8045 (m-10) REVERT: m 500 MET cc_start: 0.9308 (mtm) cc_final: 0.9076 (mpp) REVERT: n 117 MET cc_start: 0.8170 (mtm) cc_final: 0.7917 (mtm) REVERT: n 145 HIS cc_start: 0.7892 (t-90) cc_final: 0.6460 (t-90) REVERT: n 148 TYR cc_start: 0.8124 (m-10) cc_final: 0.6049 (m-10) REVERT: n 153 MET cc_start: 0.8831 (mpp) cc_final: 0.8454 (mpp) REVERT: n 154 PHE cc_start: 0.8766 (t80) cc_final: 0.8189 (t80) REVERT: n 166 LEU cc_start: 0.9279 (mt) cc_final: 0.8892 (mt) REVERT: n 172 THR cc_start: 0.9438 (p) cc_final: 0.8028 (t) REVERT: n 187 THR cc_start: 0.8862 (m) cc_final: 0.8638 (m) REVERT: n 190 LEU cc_start: 0.9711 (mm) cc_final: 0.9492 (mm) REVERT: n 191 GLN cc_start: 0.8652 (tt0) cc_final: 0.7987 (tp-100) REVERT: n 226 GLU cc_start: 0.8356 (tt0) cc_final: 0.8059 (tt0) REVERT: n 228 MET cc_start: 0.8135 (ptm) cc_final: 0.7666 (ptm) REVERT: n 250 MET cc_start: 0.8506 (pmm) cc_final: 0.8014 (pmm) REVERT: n 273 GLU cc_start: 0.9152 (mp0) cc_final: 0.8941 (pm20) REVERT: n 319 SER cc_start: 0.9770 (t) cc_final: 0.9569 (m) REVERT: n 333 ASP cc_start: 0.8594 (t0) cc_final: 0.7878 (t0) REVERT: n 336 ASP cc_start: 0.9010 (t0) cc_final: 0.8573 (t0) REVERT: n 345 TRP cc_start: 0.9013 (t-100) cc_final: 0.8459 (t-100) REVERT: n 350 PHE cc_start: 0.9209 (m-10) cc_final: 0.8720 (m-80) REVERT: n 353 LEU cc_start: 0.9683 (tp) cc_final: 0.9467 (tp) REVERT: n 359 LYS cc_start: 0.9780 (tttp) cc_final: 0.9422 (tttp) REVERT: n 360 GLU cc_start: 0.9586 (mm-30) cc_final: 0.9060 (mm-30) REVERT: n 368 THR cc_start: 0.8602 (t) cc_final: 0.7708 (t) REVERT: n 395 TYR cc_start: 0.6183 (t80) cc_final: 0.5979 (t80) REVERT: n 398 GLN cc_start: 0.9398 (tm-30) cc_final: 0.8695 (tm-30) REVERT: n 434 PHE cc_start: 0.9468 (p90) cc_final: 0.9240 (p90) REVERT: n 442 ASN cc_start: 0.9110 (t0) cc_final: 0.8803 (t0) REVERT: n 443 GLU cc_start: 0.8904 (pp20) cc_final: 0.8437 (tm-30) REVERT: n 450 TYR cc_start: 0.9288 (t80) cc_final: 0.8896 (t80) REVERT: n 453 TYR cc_start: 0.8318 (t80) cc_final: 0.7862 (t80) REVERT: n 467 PHE cc_start: 0.6735 (m-80) cc_final: 0.6484 (m-80) REVERT: n 482 ASN cc_start: 0.9246 (t0) cc_final: 0.8984 (t0) REVERT: n 513 PHE cc_start: 0.9368 (m-80) cc_final: 0.8895 (m-80) REVERT: o 147 MET cc_start: 0.9141 (tpt) cc_final: 0.8563 (tpt) REVERT: o 154 PHE cc_start: 0.8615 (t80) cc_final: 0.8213 (t80) REVERT: o 184 GLU cc_start: 0.8793 (tp30) cc_final: 0.8322 (tp30) REVERT: o 187 THR cc_start: 0.8303 (m) cc_final: 0.8054 (m) REVERT: o 198 ILE cc_start: 0.9621 (tp) cc_final: 0.9050 (tp) REVERT: o 207 LYS cc_start: 0.9553 (mttt) cc_final: 0.9157 (mtmm) REVERT: o 211 GLU cc_start: 0.9389 (tp30) cc_final: 0.8953 (tm-30) REVERT: o 250 MET cc_start: 0.7829 (mtm) cc_final: 0.7559 (mpp) REVERT: o 272 ILE cc_start: 0.8371 (mm) cc_final: 0.8001 (mm) REVERT: o 309 TRP cc_start: 0.8793 (m100) cc_final: 0.8303 (m100) REVERT: o 322 THR cc_start: 0.8444 (p) cc_final: 0.8241 (p) REVERT: o 334 PHE cc_start: 0.9197 (m-80) cc_final: 0.8607 (m-80) REVERT: o 348 GLU cc_start: 0.9073 (mt-10) cc_final: 0.8695 (mt-10) REVERT: o 350 PHE cc_start: 0.7964 (p90) cc_final: 0.7153 (p90) REVERT: o 351 LYS cc_start: 0.9213 (mttm) cc_final: 0.8651 (mttm) REVERT: o 354 LEU cc_start: 0.9297 (tp) cc_final: 0.9029 (tp) REVERT: o 360 GLU cc_start: 0.9553 (mm-30) cc_final: 0.8676 (mm-30) REVERT: o 363 GLU cc_start: 0.8985 (pp20) cc_final: 0.8114 (pp20) REVERT: o 372 GLU cc_start: 0.9250 (pm20) cc_final: 0.8886 (pt0) REVERT: o 375 PHE cc_start: 0.8264 (p90) cc_final: 0.8059 (p90) REVERT: o 400 LEU cc_start: 0.8525 (mt) cc_final: 0.8078 (mt) REVERT: o 404 PHE cc_start: 0.7480 (m-80) cc_final: 0.7081 (m-80) REVERT: o 428 TYR cc_start: 0.9416 (m-80) cc_final: 0.8970 (m-10) REVERT: o 434 PHE cc_start: 0.9385 (p90) cc_final: 0.9099 (p90) REVERT: o 453 TYR cc_start: 0.8638 (t80) cc_final: 0.8117 (t80) REVERT: o 473 PHE cc_start: 0.8602 (p90) cc_final: 0.8054 (p90) REVERT: o 500 MET cc_start: 0.9220 (mmp) cc_final: 0.8597 (mmp) REVERT: o 510 ASN cc_start: 0.9190 (t0) cc_final: 0.7829 (t0) REVERT: o 513 PHE cc_start: 0.9464 (m-80) cc_final: 0.8743 (m-80) REVERT: o 514 ARG cc_start: 0.8013 (mmt90) cc_final: 0.6790 (tpp80) REVERT: p 78 ASN cc_start: 0.8723 (m-40) cc_final: 0.8221 (m-40) REVERT: p 96 MET cc_start: 0.8518 (mtm) cc_final: 0.8060 (mtm) REVERT: p 101 ARG cc_start: 0.8353 (mmm-85) cc_final: 0.7471 (mmm-85) REVERT: p 117 MET cc_start: 0.9039 (mmp) cc_final: 0.8711 (mmm) REVERT: p 151 ASP cc_start: 0.7858 (t0) cc_final: 0.7579 (t0) REVERT: p 153 MET cc_start: 0.9421 (mtp) cc_final: 0.9047 (mmm) REVERT: p 157 GLN cc_start: 0.9025 (tp40) cc_final: 0.8510 (tp-100) REVERT: p 161 LYS cc_start: 0.9315 (pttt) cc_final: 0.9029 (pttp) REVERT: p 199 ASP cc_start: 0.6388 (t0) cc_final: 0.6032 (t0) REVERT: p 270 TYR cc_start: 0.8325 (p90) cc_final: 0.8061 (p90) REVERT: p 276 GLN cc_start: 0.9323 (mt0) cc_final: 0.8810 (mt0) REVERT: p 278 LEU cc_start: 0.9625 (tp) cc_final: 0.9315 (tp) REVERT: p 284 MET cc_start: 0.7441 (mpp) cc_final: 0.6541 (mpp) REVERT: p 289 GLU cc_start: 0.9282 (mm-30) cc_final: 0.9054 (mp0) REVERT: p 318 LYS cc_start: 0.9298 (ttmt) cc_final: 0.8436 (tppt) REVERT: p 321 MET cc_start: 0.8913 (mmm) cc_final: 0.8331 (mmm) REVERT: p 391 THR cc_start: 0.9223 (p) cc_final: 0.8580 (t) REVERT: p 404 PHE cc_start: 0.8557 (m-80) cc_final: 0.8315 (m-80) REVERT: p 412 VAL cc_start: 0.9582 (m) cc_final: 0.9087 (m) REVERT: p 465 LYS cc_start: 0.9265 (mppt) cc_final: 0.9038 (mmtm) REVERT: p 484 PHE cc_start: 0.8546 (m-10) cc_final: 0.8288 (m-10) REVERT: q 98 MET cc_start: 0.7903 (ptt) cc_final: 0.7478 (ptt) REVERT: q 115 GLN cc_start: 0.9249 (mm-40) cc_final: 0.8245 (tt0) REVERT: q 123 GLN cc_start: 0.9123 (pt0) cc_final: 0.8416 (pt0) REVERT: q 145 HIS cc_start: 0.8871 (t-170) cc_final: 0.8566 (t-170) REVERT: q 147 MET cc_start: 0.8697 (mmp) cc_final: 0.7967 (mmp) REVERT: q 153 MET cc_start: 0.8753 (mtp) cc_final: 0.7770 (ttm) REVERT: q 172 THR cc_start: 0.8962 (p) cc_final: 0.8330 (p) REVERT: q 176 ASP cc_start: 0.8995 (t0) cc_final: 0.8607 (t70) REVERT: q 178 TYR cc_start: 0.8194 (m-80) cc_final: 0.7221 (m-10) REVERT: q 182 PHE cc_start: 0.9079 (m-80) cc_final: 0.8834 (m-80) REVERT: q 191 GLN cc_start: 0.9046 (tt0) cc_final: 0.8425 (tm-30) REVERT: q 215 GLN cc_start: 0.9400 (mp-120) cc_final: 0.9110 (mp10) REVERT: q 217 GLU cc_start: 0.9394 (pp20) cc_final: 0.9004 (pp20) REVERT: q 224 ILE cc_start: 0.9048 (tt) cc_final: 0.8811 (tt) REVERT: q 228 MET cc_start: 0.8881 (ptp) cc_final: 0.8533 (ptp) REVERT: q 250 MET cc_start: 0.8255 (mtm) cc_final: 0.7971 (mpp) REVERT: q 282 HIS cc_start: 0.9285 (t-90) cc_final: 0.9071 (t-90) REVERT: q 299 MET cc_start: 0.9101 (mmm) cc_final: 0.8385 (mmm) REVERT: q 328 LYS cc_start: 0.9458 (tptm) cc_final: 0.8882 (tppt) REVERT: q 406 THR cc_start: 0.9495 (p) cc_final: 0.9241 (t) REVERT: q 410 LYS cc_start: 0.8872 (mmtt) cc_final: 0.8395 (mtmt) REVERT: q 426 ASP cc_start: 0.8771 (t0) cc_final: 0.8402 (t0) REVERT: q 430 LYS cc_start: 0.9532 (mmtm) cc_final: 0.9314 (mmmt) REVERT: q 453 TYR cc_start: 0.8626 (t80) cc_final: 0.8403 (t80) REVERT: q 471 MET cc_start: 0.8472 (tpp) cc_final: 0.8197 (tpp) REVERT: q 510 ASN cc_start: 0.9593 (t0) cc_final: 0.9188 (t0) REVERT: q 513 PHE cc_start: 0.9642 (m-10) cc_final: 0.9111 (m-10) REVERT: q 514 ARG cc_start: 0.9215 (tpp80) cc_final: 0.8711 (tpp80) REVERT: q 515 ARG cc_start: 0.8563 (ptt180) cc_final: 0.7856 (ttp-170) REVERT: r 68 ILE cc_start: 0.8586 (pt) cc_final: 0.7718 (mm) REVERT: r 96 MET cc_start: 0.7761 (ptm) cc_final: 0.7471 (ptp) REVERT: r 98 MET cc_start: 0.6718 (ptt) cc_final: 0.6290 (ptt) REVERT: r 134 ASP cc_start: 0.8803 (t0) cc_final: 0.8413 (t0) REVERT: r 145 HIS cc_start: 0.9325 (t-90) cc_final: 0.8719 (t-90) REVERT: r 151 ASP cc_start: 0.9247 (t0) cc_final: 0.8716 (t0) REVERT: r 176 ASP cc_start: 0.8994 (m-30) cc_final: 0.8489 (m-30) REVERT: r 185 THR cc_start: 0.8874 (p) cc_final: 0.7999 (p) REVERT: r 189 TYR cc_start: 0.8604 (m-80) cc_final: 0.7856 (m-80) REVERT: r 191 GLN cc_start: 0.9217 (tt0) cc_final: 0.8963 (tt0) REVERT: r 194 VAL cc_start: 0.9278 (t) cc_final: 0.8974 (p) REVERT: r 212 ILE cc_start: 0.9693 (mt) cc_final: 0.9480 (mt) REVERT: r 214 LYS cc_start: 0.9376 (mttt) cc_final: 0.9135 (mtpp) REVERT: r 216 MET cc_start: 0.9051 (mtp) cc_final: 0.8523 (mtp) REVERT: r 262 LYS cc_start: 0.8641 (mttt) cc_final: 0.7937 (mtmm) REVERT: r 266 LEU cc_start: 0.9561 (mt) cc_final: 0.9296 (mt) REVERT: r 274 LEU cc_start: 0.9465 (tp) cc_final: 0.9219 (tp) REVERT: r 297 GLU cc_start: 0.9180 (mm-30) cc_final: 0.8410 (mm-30) REVERT: r 300 LEU cc_start: 0.9434 (mt) cc_final: 0.9175 (mt) REVERT: r 309 TRP cc_start: 0.9291 (m100) cc_final: 0.8168 (m100) REVERT: r 336 ASP cc_start: 0.9171 (t0) cc_final: 0.8938 (t0) REVERT: r 345 TRP cc_start: 0.8708 (p-90) cc_final: 0.8224 (p-90) REVERT: r 350 PHE cc_start: 0.9427 (m-10) cc_final: 0.9009 (m-80) REVERT: r 390 ASP cc_start: 0.8192 (t0) cc_final: 0.7589 (t0) REVERT: r 404 PHE cc_start: 0.9083 (m-80) cc_final: 0.8205 (m-80) REVERT: r 420 LYS cc_start: 0.9259 (ttmm) cc_final: 0.8871 (ttmm) REVERT: r 484 PHE cc_start: 0.8293 (m-10) cc_final: 0.7942 (m-80) REVERT: r 515 ARG cc_start: 0.8455 (ttp80) cc_final: 0.8013 (ttp80) REVERT: s 90 GLN cc_start: 0.9342 (mm-40) cc_final: 0.8925 (mp10) REVERT: s 98 MET cc_start: 0.7252 (ppp) cc_final: 0.5420 (tmm) REVERT: s 125 PHE cc_start: 0.8641 (m-80) cc_final: 0.7347 (m-80) REVERT: s 134 ASP cc_start: 0.8975 (t0) cc_final: 0.8706 (t0) REVERT: s 136 VAL cc_start: 0.9638 (t) cc_final: 0.9379 (m) REVERT: s 147 MET cc_start: 0.9165 (ttt) cc_final: 0.8762 (mmm) REVERT: s 151 ASP cc_start: 0.8526 (t0) cc_final: 0.8181 (t0) REVERT: s 153 MET cc_start: 0.9665 (mmt) cc_final: 0.9339 (mmm) REVERT: s 157 GLN cc_start: 0.8882 (tp-100) cc_final: 0.7897 (tp40) REVERT: s 184 GLU cc_start: 0.8566 (tt0) cc_final: 0.8159 (tt0) REVERT: s 189 TYR cc_start: 0.8522 (m-80) cc_final: 0.7643 (m-80) REVERT: s 212 ILE cc_start: 0.9784 (mt) cc_final: 0.9420 (mt) REVERT: s 213 LYS cc_start: 0.8994 (mtmt) cc_final: 0.8647 (mttm) REVERT: s 216 MET cc_start: 0.9558 (mtt) cc_final: 0.9353 (mtt) REVERT: s 235 LEU cc_start: 0.8473 (tp) cc_final: 0.8180 (pp) REVERT: s 265 GLN cc_start: 0.9484 (pt0) cc_final: 0.9195 (pt0) REVERT: s 277 ASP cc_start: 0.9570 (m-30) cc_final: 0.9321 (m-30) REVERT: s 299 MET cc_start: 0.9134 (mtm) cc_final: 0.8565 (ptp) REVERT: s 300 LEU cc_start: 0.9330 (mt) cc_final: 0.9107 (mt) REVERT: s 304 ARG cc_start: 0.9139 (tpp80) cc_final: 0.8538 (mmm160) REVERT: s 309 TRP cc_start: 0.8795 (m100) cc_final: 0.8538 (m100) REVERT: s 311 ASN cc_start: 0.9519 (m-40) cc_final: 0.8802 (t0) REVERT: s 321 MET cc_start: 0.8887 (mmm) cc_final: 0.8369 (mmm) REVERT: s 322 THR cc_start: 0.8931 (p) cc_final: 0.8584 (p) REVERT: s 334 PHE cc_start: 0.9326 (m-80) cc_final: 0.8560 (m-80) REVERT: s 336 ASP cc_start: 0.8540 (t0) cc_final: 0.8265 (t0) REVERT: s 345 TRP cc_start: 0.9100 (p-90) cc_final: 0.8540 (p-90) REVERT: s 350 PHE cc_start: 0.9454 (m-80) cc_final: 0.9174 (m-10) REVERT: s 367 GLN cc_start: 0.9216 (mt0) cc_final: 0.8001 (mm-40) REVERT: s 404 PHE cc_start: 0.8586 (m-80) cc_final: 0.7926 (m-80) REVERT: s 413 PHE cc_start: 0.9141 (t80) cc_final: 0.8835 (t80) REVERT: s 434 PHE cc_start: 0.9281 (p90) cc_final: 0.8894 (p90) REVERT: s 436 VAL cc_start: 0.9771 (m) cc_final: 0.9533 (m) REVERT: s 481 ILE cc_start: 0.9189 (mm) cc_final: 0.8773 (mm) REVERT: s 482 ASN cc_start: 0.8342 (t0) cc_final: 0.7418 (t0) REVERT: s 500 MET cc_start: 0.9126 (ttm) cc_final: 0.8638 (mmm) REVERT: s 510 ASN cc_start: 0.9145 (t0) cc_final: 0.8878 (t0) REVERT: s 514 ARG cc_start: 0.8391 (mtp85) cc_final: 0.7521 (tpp80) REVERT: t 110 ASP cc_start: 0.7967 (m-30) cc_final: 0.7630 (t0) REVERT: t 131 TYR cc_start: 0.8279 (p90) cc_final: 0.7640 (p90) REVERT: t 142 GLU cc_start: 0.6554 (tt0) cc_final: 0.6175 (tt0) REVERT: t 144 PHE cc_start: 0.8272 (m-10) cc_final: 0.7723 (m-10) REVERT: t 147 MET cc_start: 0.8375 (mmt) cc_final: 0.7990 (mmt) REVERT: t 153 MET cc_start: 0.9340 (mtp) cc_final: 0.9006 (mtm) REVERT: t 166 LEU cc_start: 0.9177 (mt) cc_final: 0.8830 (mt) REVERT: t 183 GLN cc_start: 0.8990 (tp-100) cc_final: 0.8157 (pp30) REVERT: t 198 ILE cc_start: 0.9520 (tt) cc_final: 0.9235 (tt) REVERT: t 216 MET cc_start: 0.9504 (ptp) cc_final: 0.9215 (ptp) REVERT: t 221 LEU cc_start: 0.9778 (mm) cc_final: 0.9521 (mm) REVERT: t 228 MET cc_start: 0.9094 (ptt) cc_final: 0.8600 (ptt) REVERT: t 260 GLU cc_start: 0.8156 (tt0) cc_final: 0.7148 (tt0) REVERT: t 299 MET cc_start: 0.8771 (mtp) cc_final: 0.8520 (mtt) REVERT: t 305 GLU cc_start: 0.8914 (mt-10) cc_final: 0.8184 (mt-10) REVERT: t 318 LYS cc_start: 0.9380 (mtpp) cc_final: 0.8650 (mtpp) REVERT: t 334 PHE cc_start: 0.9112 (m-80) cc_final: 0.8268 (m-80) REVERT: t 350 PHE cc_start: 0.9649 (m-10) cc_final: 0.8905 (m-10) REVERT: t 356 GLN cc_start: 0.9273 (tp40) cc_final: 0.8777 (tp-100) REVERT: t 359 LYS cc_start: 0.9630 (tttp) cc_final: 0.9182 (mtmt) REVERT: t 360 GLU cc_start: 0.9519 (mt-10) cc_final: 0.9115 (mt-10) REVERT: t 363 GLU cc_start: 0.9203 (tp30) cc_final: 0.8948 (tp30) REVERT: t 364 ILE cc_start: 0.9543 (mt) cc_final: 0.9265 (mt) REVERT: t 381 ASN cc_start: 0.9010 (m-40) cc_final: 0.8441 (p0) REVERT: t 385 VAL cc_start: 0.9732 (t) cc_final: 0.9311 (p) REVERT: t 400 LEU cc_start: 0.9522 (mt) cc_final: 0.9175 (mt) REVERT: t 413 PHE cc_start: 0.8851 (t80) cc_final: 0.8407 (t80) REVERT: t 453 TYR cc_start: 0.6854 (t80) cc_final: 0.6605 (t80) REVERT: t 481 ILE cc_start: 0.9367 (mt) cc_final: 0.9049 (mm) REVERT: t 484 PHE cc_start: 0.7325 (m-80) cc_final: 0.6620 (m-80) REVERT: t 510 ASN cc_start: 0.9387 (t0) cc_final: 0.8838 (p0) REVERT: u 71 ASP cc_start: 0.7753 (t0) cc_final: 0.7013 (t0) REVERT: u 75 ASN cc_start: 0.8879 (t0) cc_final: 0.8549 (t0) REVERT: u 105 ASN cc_start: 0.8483 (m-40) cc_final: 0.7785 (t0) REVERT: u 117 MET cc_start: 0.9007 (mmm) cc_final: 0.8792 (mmm) REVERT: u 157 GLN cc_start: 0.8492 (tm-30) cc_final: 0.7889 (tm-30) REVERT: u 166 LEU cc_start: 0.8575 (mp) cc_final: 0.8342 (mp) REVERT: u 172 THR cc_start: 0.9368 (p) cc_final: 0.9065 (t) REVERT: u 199 ASP cc_start: 0.6156 (t0) cc_final: 0.5525 (t0) REVERT: u 204 ASP cc_start: 0.8782 (t0) cc_final: 0.8532 (t0) REVERT: u 211 GLU cc_start: 0.9343 (tm-30) cc_final: 0.9079 (tm-30) REVERT: u 214 LYS cc_start: 0.9248 (mttt) cc_final: 0.9006 (mttt) REVERT: u 216 MET cc_start: 0.9519 (tmm) cc_final: 0.9157 (tpp) REVERT: u 221 LEU cc_start: 0.9458 (mt) cc_final: 0.9126 (mt) REVERT: u 226 GLU cc_start: 0.8495 (tm-30) cc_final: 0.8089 (tm-30) REVERT: u 240 ASN cc_start: 0.8155 (m110) cc_final: 0.7713 (m110) REVERT: u 250 MET cc_start: 0.8093 (mmm) cc_final: 0.7650 (mmm) REVERT: u 278 LEU cc_start: 0.9460 (tp) cc_final: 0.9250 (tp) REVERT: u 309 TRP cc_start: 0.9128 (m100) cc_final: 0.7686 (m100) REVERT: u 311 ASN cc_start: 0.9466 (m-40) cc_final: 0.9013 (m-40) REVERT: u 356 GLN cc_start: 0.9387 (tp40) cc_final: 0.9096 (tp-100) REVERT: u 391 THR cc_start: 0.8841 (p) cc_final: 0.8493 (p) REVERT: u 404 PHE cc_start: 0.8082 (m-80) cc_final: 0.7365 (m-80) REVERT: u 417 LEU cc_start: 0.9860 (tp) cc_final: 0.9619 (tp) REVERT: u 426 ASP cc_start: 0.9523 (t0) cc_final: 0.9143 (t0) REVERT: u 428 TYR cc_start: 0.8975 (m-10) cc_final: 0.8755 (m-10) REVERT: u 433 TYR cc_start: 0.8501 (p90) cc_final: 0.8009 (p90) REVERT: u 459 LEU cc_start: 0.5257 (tp) cc_final: 0.4698 (tp) REVERT: u 510 ASN cc_start: 0.9470 (t0) cc_final: 0.8459 (p0) REVERT: u 515 ARG cc_start: 0.7095 (ttt180) cc_final: 0.5829 (ttt180) REVERT: v 90 GLN cc_start: 0.8743 (mm110) cc_final: 0.8532 (mm-40) REVERT: v 105 ASN cc_start: 0.8278 (m110) cc_final: 0.8012 (m110) REVERT: v 142 GLU cc_start: 0.8821 (tt0) cc_final: 0.8455 (tt0) REVERT: v 145 HIS cc_start: 0.8774 (t-90) cc_final: 0.7930 (t-90) REVERT: v 157 GLN cc_start: 0.9249 (tp-100) cc_final: 0.8824 (tp-100) REVERT: v 166 LEU cc_start: 0.9361 (tp) cc_final: 0.9067 (tp) REVERT: v 180 HIS cc_start: 0.8696 (t-90) cc_final: 0.7410 (t-90) REVERT: v 213 LYS cc_start: 0.8960 (mttt) cc_final: 0.8695 (mttt) REVERT: v 216 MET cc_start: 0.9108 (tmm) cc_final: 0.8862 (tmm) REVERT: v 228 MET cc_start: 0.7853 (ttp) cc_final: 0.7521 (ttp) REVERT: v 273 GLU cc_start: 0.9602 (mp0) cc_final: 0.9118 (mp0) REVERT: v 279 ARG cc_start: 0.8725 (ttm-80) cc_final: 0.8450 (ttm-80) REVERT: v 284 MET cc_start: 0.7896 (mmm) cc_final: 0.7533 (mmm) REVERT: v 287 ASP cc_start: 0.9382 (p0) cc_final: 0.9029 (p0) REVERT: v 300 LEU cc_start: 0.9673 (mt) cc_final: 0.9425 (mt) REVERT: v 312 TYR cc_start: 0.8630 (t80) cc_final: 0.8278 (t80) REVERT: v 345 TRP cc_start: 0.7685 (m100) cc_final: 0.6804 (m100) REVERT: v 355 PHE cc_start: 0.9592 (t80) cc_final: 0.9361 (t80) REVERT: v 359 LYS cc_start: 0.9597 (mtmt) cc_final: 0.9352 (mtmm) REVERT: v 377 ILE cc_start: 0.9229 (mm) cc_final: 0.8839 (tp) REVERT: v 404 PHE cc_start: 0.9247 (m-80) cc_final: 0.8395 (m-80) REVERT: v 405 SER cc_start: 0.9472 (t) cc_final: 0.9099 (p) REVERT: v 412 VAL cc_start: 0.9752 (m) cc_final: 0.9490 (p) REVERT: v 473 PHE cc_start: 0.9032 (m-80) cc_final: 0.8773 (m-10) REVERT: v 497 GLN cc_start: 0.8828 (mt0) cc_final: 0.8153 (mm110) REVERT: v 517 TYR cc_start: 0.8950 (m-80) cc_final: 0.8420 (m-80) REVERT: w 96 MET cc_start: 0.8826 (ptp) cc_final: 0.7880 (ptp) REVERT: w 98 MET cc_start: 0.8425 (ptt) cc_final: 0.7915 (ptp) REVERT: w 125 PHE cc_start: 0.8054 (m-10) cc_final: 0.7772 (m-10) REVERT: w 130 VAL cc_start: 0.9547 (m) cc_final: 0.9105 (p) REVERT: w 147 MET cc_start: 0.7959 (mtt) cc_final: 0.7721 (mtt) REVERT: w 176 ASP cc_start: 0.9222 (t0) cc_final: 0.8835 (m-30) REVERT: w 178 TYR cc_start: 0.8947 (m-80) cc_final: 0.8277 (m-80) REVERT: w 209 ASP cc_start: 0.9563 (p0) cc_final: 0.9257 (p0) REVERT: w 256 LYS cc_start: 0.9417 (pttt) cc_final: 0.8399 (ptpt) REVERT: w 257 GLN cc_start: 0.9450 (mt0) cc_final: 0.8918 (mt0) REVERT: w 294 LEU cc_start: 0.9441 (tp) cc_final: 0.8674 (tp) REVERT: w 309 TRP cc_start: 0.9261 (m100) cc_final: 0.8250 (m100) REVERT: w 311 ASN cc_start: 0.9692 (m-40) cc_final: 0.9407 (m-40) REVERT: w 312 TYR cc_start: 0.9100 (t80) cc_final: 0.8863 (t80) REVERT: w 357 ILE cc_start: 0.9681 (mm) cc_final: 0.9453 (mm) REVERT: w 376 ILE cc_start: 0.9340 (mt) cc_final: 0.8660 (mm) REVERT: w 377 ILE cc_start: 0.8752 (mp) cc_final: 0.8113 (tp) REVERT: w 381 ASN cc_start: 0.9399 (m-40) cc_final: 0.9086 (m-40) REVERT: w 384 ASN cc_start: 0.9396 (m-40) cc_final: 0.9157 (m-40) REVERT: w 391 THR cc_start: 0.9091 (p) cc_final: 0.8789 (p) REVERT: w 404 PHE cc_start: 0.9210 (m-80) cc_final: 0.8699 (m-80) REVERT: w 410 LYS cc_start: 0.9002 (mmtt) cc_final: 0.8757 (mmtt) REVERT: w 426 ASP cc_start: 0.9406 (t0) cc_final: 0.9184 (t0) REVERT: w 460 ARG cc_start: 0.9007 (pmt-80) cc_final: 0.8588 (ttp80) REVERT: w 471 MET cc_start: 0.7683 (tmm) cc_final: 0.7284 (tmm) REVERT: w 473 PHE cc_start: 0.8839 (m-80) cc_final: 0.7504 (m-80) REVERT: w 481 ILE cc_start: 0.9193 (pt) cc_final: 0.8713 (pt) REVERT: w 517 TYR cc_start: 0.9494 (m-10) cc_final: 0.9252 (m-10) REVERT: x 96 MET cc_start: 0.9163 (mmp) cc_final: 0.8827 (mmm) REVERT: x 105 ASN cc_start: 0.7880 (m110) cc_final: 0.7652 (m110) REVERT: x 125 PHE cc_start: 0.7970 (m-80) cc_final: 0.7667 (m-80) REVERT: x 128 ARG cc_start: 0.9273 (mtt180) cc_final: 0.8900 (mtp180) REVERT: x 145 HIS cc_start: 0.8349 (t-90) cc_final: 0.7762 (t-90) REVERT: x 147 MET cc_start: 0.8730 (mmm) cc_final: 0.7941 (mmm) REVERT: x 148 TYR cc_start: 0.8330 (m-80) cc_final: 0.7643 (m-80) REVERT: x 151 ASP cc_start: 0.7393 (t0) cc_final: 0.6750 (t0) REVERT: x 166 LEU cc_start: 0.9419 (mt) cc_final: 0.9114 (mt) REVERT: x 176 ASP cc_start: 0.8702 (t0) cc_final: 0.8479 (t0) REVERT: x 178 TYR cc_start: 0.8630 (m-80) cc_final: 0.8032 (m-80) REVERT: x 182 PHE cc_start: 0.8781 (m-80) cc_final: 0.8128 (m-80) REVERT: x 199 ASP cc_start: 0.7654 (t0) cc_final: 0.7202 (t0) REVERT: x 204 ASP cc_start: 0.9508 (t0) cc_final: 0.9295 (t70) REVERT: x 212 ILE cc_start: 0.9784 (mt) cc_final: 0.9462 (mt) REVERT: x 213 LYS cc_start: 0.9536 (mttt) cc_final: 0.8873 (mttt) REVERT: x 217 GLU cc_start: 0.8892 (mm-30) cc_final: 0.8663 (mm-30) REVERT: x 228 MET cc_start: 0.9047 (mtp) cc_final: 0.8452 (mtp) REVERT: x 240 ASN cc_start: 0.9499 (t0) cc_final: 0.9232 (t0) REVERT: x 249 GLU cc_start: 0.8720 (mt-10) cc_final: 0.8151 (mt-10) REVERT: x 262 LYS cc_start: 0.9212 (mttt) cc_final: 0.8888 (mttt) REVERT: x 267 LYS cc_start: 0.9135 (ptmt) cc_final: 0.8813 (ptmt) REVERT: x 276 GLN cc_start: 0.9341 (mt0) cc_final: 0.8955 (mt0) REVERT: x 303 ASN cc_start: 0.8910 (t0) cc_final: 0.8687 (t0) REVERT: x 311 ASN cc_start: 0.9806 (m-40) cc_final: 0.9024 (m-40) REVERT: x 318 LYS cc_start: 0.9278 (ttmt) cc_final: 0.8832 (ttmm) REVERT: x 321 MET cc_start: 0.9272 (ptp) cc_final: 0.8885 (ptt) REVERT: x 360 GLU cc_start: 0.9654 (mm-30) cc_final: 0.9270 (mm-30) REVERT: x 390 ASP cc_start: 0.9327 (t70) cc_final: 0.9077 (t70) REVERT: x 393 ILE cc_start: 0.9146 (pt) cc_final: 0.8588 (tp) REVERT: x 398 GLN cc_start: 0.8821 (tm-30) cc_final: 0.8463 (tm-30) REVERT: x 410 LYS cc_start: 0.9391 (mmmm) cc_final: 0.9103 (mmmm) REVERT: x 421 TYR cc_start: 0.8872 (m-80) cc_final: 0.8657 (m-80) REVERT: x 430 LYS cc_start: 0.9195 (mmmt) cc_final: 0.8907 (mmmt) REVERT: x 439 LYS cc_start: 0.9304 (ttpp) cc_final: 0.8850 (ttpt) REVERT: x 442 ASN cc_start: 0.8353 (t0) cc_final: 0.8006 (t0) REVERT: x 463 ASP cc_start: 0.8391 (t0) cc_final: 0.7731 (t0) REVERT: x 476 ARG cc_start: 0.7277 (ttm170) cc_final: 0.6561 (ttm170) REVERT: x 481 ILE cc_start: 0.9118 (pt) cc_final: 0.8822 (pt) REVERT: x 482 ASN cc_start: 0.9519 (t0) cc_final: 0.9079 (t0) REVERT: x 500 MET cc_start: 0.7546 (mtm) cc_final: 0.6917 (mpp) REVERT: x 504 LEU cc_start: 0.9676 (mm) cc_final: 0.9379 (pt) REVERT: x 514 ARG cc_start: 0.8519 (mmt90) cc_final: 0.7941 (tpp80) REVERT: y 75 ASN cc_start: 0.8324 (t0) cc_final: 0.7979 (t0) REVERT: y 96 MET cc_start: 0.8060 (mtt) cc_final: 0.7859 (mtp) REVERT: y 98 MET cc_start: 0.8113 (ptm) cc_final: 0.7401 (ptt) REVERT: y 115 GLN cc_start: 0.9252 (tp40) cc_final: 0.8888 (tp40) REVERT: y 117 MET cc_start: 0.7138 (ttt) cc_final: 0.6377 (ttt) REVERT: y 123 GLN cc_start: 0.9282 (pt0) cc_final: 0.8713 (pt0) REVERT: y 125 PHE cc_start: 0.9042 (m-10) cc_final: 0.8555 (m-10) REVERT: y 134 ASP cc_start: 0.9297 (t0) cc_final: 0.9001 (t0) REVERT: y 147 MET cc_start: 0.8333 (mtt) cc_final: 0.8025 (mtt) REVERT: y 153 MET cc_start: 0.8171 (mtp) cc_final: 0.6772 (mmm) REVERT: y 154 PHE cc_start: 0.8701 (t80) cc_final: 0.8215 (t80) REVERT: y 180 HIS cc_start: 0.8747 (t70) cc_final: 0.8361 (t70) REVERT: y 217 GLU cc_start: 0.9525 (tt0) cc_final: 0.8676 (tp30) REVERT: y 228 MET cc_start: 0.8912 (tpp) cc_final: 0.8376 (tpp) REVERT: y 252 PHE cc_start: 0.9444 (p90) cc_final: 0.8810 (p90) REVERT: y 256 LYS cc_start: 0.7072 (ttmt) cc_final: 0.6811 (ttmt) REVERT: y 273 GLU cc_start: 0.9196 (mp0) cc_final: 0.8909 (mp0) REVERT: y 304 ARG cc_start: 0.9271 (mmm160) cc_final: 0.8788 (mmm160) REVERT: y 313 SER cc_start: 0.9460 (p) cc_final: 0.8871 (t) REVERT: y 333 ASP cc_start: 0.9314 (t70) cc_final: 0.9061 (t0) REVERT: y 334 PHE cc_start: 0.9124 (m-80) cc_final: 0.8911 (m-80) REVERT: y 363 GLU cc_start: 0.9057 (tp30) cc_final: 0.8390 (tp30) REVERT: y 375 PHE cc_start: 0.9317 (p90) cc_final: 0.8727 (p90) REVERT: y 376 ILE cc_start: 0.9643 (tt) cc_final: 0.9409 (tt) REVERT: y 404 PHE cc_start: 0.8695 (m-80) cc_final: 0.7991 (m-80) REVERT: y 426 ASP cc_start: 0.9197 (t0) cc_final: 0.8873 (t0) REVERT: y 432 ASP cc_start: 0.5780 (t0) cc_final: 0.5263 (t0) REVERT: y 433 TYR cc_start: 0.7151 (p90) cc_final: 0.6080 (p90) REVERT: y 453 TYR cc_start: 0.7001 (t80) cc_final: 0.6565 (t80) REVERT: y 459 LEU cc_start: 0.9219 (mp) cc_final: 0.8713 (mp) REVERT: y 463 ASP cc_start: 0.9179 (t0) cc_final: 0.8897 (t70) REVERT: y 471 MET cc_start: 0.8143 (tpt) cc_final: 0.7781 (tpt) REVERT: y 481 ILE cc_start: 0.9240 (tp) cc_final: 0.8870 (tp) REVERT: y 484 PHE cc_start: 0.8505 (m-80) cc_final: 0.8297 (m-80) REVERT: y 497 GLN cc_start: 0.9049 (tp-100) cc_final: 0.8387 (tm-30) REVERT: y 509 LYS cc_start: 0.9199 (mttp) cc_final: 0.8772 (mttt) REVERT: y 514 ARG cc_start: 0.8540 (mtt-85) cc_final: 0.8088 (ttm-80) REVERT: z 74 TYR cc_start: 0.7957 (m-80) cc_final: 0.7748 (m-80) REVERT: z 147 MET cc_start: 0.7865 (mtt) cc_final: 0.7176 (mtt) REVERT: z 153 MET cc_start: 0.9293 (mpp) cc_final: 0.8592 (mpp) REVERT: z 163 PHE cc_start: 0.8733 (m-80) cc_final: 0.8482 (m-80) REVERT: z 166 LEU cc_start: 0.8623 (mt) cc_final: 0.8416 (mt) REVERT: z 173 THR cc_start: 0.9136 (m) cc_final: 0.8854 (p) REVERT: z 177 ILE cc_start: 0.9267 (mm) cc_final: 0.8730 (mm) REVERT: z 189 TYR cc_start: 0.8189 (m-80) cc_final: 0.7598 (m-80) REVERT: z 199 ASP cc_start: 0.8923 (t0) cc_final: 0.8399 (t0) REVERT: z 228 MET cc_start: 0.9220 (ptt) cc_final: 0.8954 (ptm) REVERT: z 277 ASP cc_start: 0.9413 (m-30) cc_final: 0.9212 (m-30) REVERT: z 322 THR cc_start: 0.9272 (p) cc_final: 0.8205 (p) REVERT: z 356 GLN cc_start: 0.9610 (tp-100) cc_final: 0.9369 (tp40) REVERT: z 360 GLU cc_start: 0.9686 (mm-30) cc_final: 0.9136 (mm-30) REVERT: z 363 GLU cc_start: 0.8827 (tp30) cc_final: 0.7802 (pt0) REVERT: z 390 ASP cc_start: 0.8714 (t0) cc_final: 0.8477 (t0) REVERT: z 426 ASP cc_start: 0.8755 (t70) cc_final: 0.8140 (p0) REVERT: z 432 ASP cc_start: 0.8214 (p0) cc_final: 0.7466 (p0) REVERT: z 435 THR cc_start: 0.8909 (m) cc_final: 0.8697 (m) REVERT: z 444 MET cc_start: 0.9369 (mmp) cc_final: 0.8783 (mmp) REVERT: z 477 TYR cc_start: 0.9323 (p90) cc_final: 0.8787 (p90) REVERT: z 516 VAL cc_start: 0.9606 (t) cc_final: 0.9366 (t) REVERT: z 518 VAL cc_start: 0.9073 (p) cc_final: 0.8728 (p) REVERT: A 72 HIS cc_start: 0.7903 (m90) cc_final: 0.7224 (m170) REVERT: A 78 ASN cc_start: 0.9384 (m110) cc_final: 0.8977 (p0) REVERT: A 134 ASP cc_start: 0.8317 (t70) cc_final: 0.8013 (t0) REVERT: A 147 MET cc_start: 0.9216 (mtm) cc_final: 0.8897 (mtm) REVERT: A 182 PHE cc_start: 0.8944 (m-80) cc_final: 0.8548 (m-80) REVERT: A 199 ASP cc_start: 0.8414 (t0) cc_final: 0.8058 (t0) REVERT: A 215 GLN cc_start: 0.9448 (mm-40) cc_final: 0.9226 (mm110) REVERT: A 228 MET cc_start: 0.9261 (mmp) cc_final: 0.8106 (mmp) REVERT: A 231 SER cc_start: 0.9359 (p) cc_final: 0.9083 (m) REVERT: A 257 GLN cc_start: 0.8867 (mm-40) cc_final: 0.8557 (mm110) REVERT: A 262 LYS cc_start: 0.8758 (mttt) cc_final: 0.8405 (mmtp) REVERT: A 297 GLU cc_start: 0.9264 (tp30) cc_final: 0.9024 (tp30) REVERT: A 299 MET cc_start: 0.9618 (mmp) cc_final: 0.9304 (mmm) REVERT: A 311 ASN cc_start: 0.9844 (m110) cc_final: 0.9274 (m-40) REVERT: A 315 GLN cc_start: 0.7020 (mt0) cc_final: 0.6504 (mt0) REVERT: A 363 GLU cc_start: 0.9339 (tp30) cc_final: 0.8483 (tp30) REVERT: A 410 LYS cc_start: 0.9549 (mmmm) cc_final: 0.9041 (tptp) REVERT: A 433 TYR cc_start: 0.7914 (p90) cc_final: 0.7226 (p90) REVERT: A 435 THR cc_start: 0.9463 (p) cc_final: 0.8783 (m) REVERT: A 521 ILE cc_start: 0.8586 (tt) cc_final: 0.7912 (tt) REVERT: B 131 TYR cc_start: 0.7963 (p90) cc_final: 0.7664 (p90) REVERT: B 145 HIS cc_start: 0.9215 (t-90) cc_final: 0.8369 (t-90) REVERT: B 147 MET cc_start: 0.9188 (mmm) cc_final: 0.8622 (mmm) REVERT: B 148 TYR cc_start: 0.8990 (m-80) cc_final: 0.8399 (m-80) REVERT: B 178 TYR cc_start: 0.7977 (m-80) cc_final: 0.6996 (m-80) REVERT: B 198 ILE cc_start: 0.9190 (mt) cc_final: 0.8694 (tp) REVERT: B 213 LYS cc_start: 0.9249 (ptpt) cc_final: 0.8759 (pptt) REVERT: B 250 MET cc_start: 0.8099 (mtp) cc_final: 0.7783 (mmm) REVERT: B 305 GLU cc_start: 0.9108 (tt0) cc_final: 0.8807 (tt0) REVERT: B 318 LYS cc_start: 0.9258 (tppt) cc_final: 0.8833 (tppt) REVERT: B 321 MET cc_start: 0.8644 (mmp) cc_final: 0.7888 (mmm) REVERT: B 336 ASP cc_start: 0.8564 (t0) cc_final: 0.8134 (t70) REVERT: B 341 ARG cc_start: 0.9564 (mmm160) cc_final: 0.9024 (mmm-85) REVERT: B 377 ILE cc_start: 0.9233 (mt) cc_final: 0.8937 (tp) REVERT: B 404 PHE cc_start: 0.8326 (m-80) cc_final: 0.7576 (m-80) REVERT: B 413 PHE cc_start: 0.8872 (t80) cc_final: 0.8472 (t80) REVERT: B 442 ASN cc_start: 0.9240 (t0) cc_final: 0.8894 (t0) REVERT: B 481 ILE cc_start: 0.8542 (pt) cc_final: 0.7843 (pt) REVERT: B 482 ASN cc_start: 0.7900 (t0) cc_final: 0.7666 (t0) REVERT: B 505 ASN cc_start: 0.9523 (m-40) cc_final: 0.9235 (m-40) REVERT: B 510 ASN cc_start: 0.8480 (t0) cc_final: 0.8042 (t0) REVERT: B 512 TYR cc_start: 0.8283 (m-10) cc_final: 0.8020 (m-10) REVERT: B 513 PHE cc_start: 0.9140 (m-80) cc_final: 0.8695 (m-80) REVERT: C 96 MET cc_start: 0.8851 (mtm) cc_final: 0.8282 (mtm) REVERT: C 105 ASN cc_start: 0.8479 (m110) cc_final: 0.7839 (p0) REVERT: C 106 LEU cc_start: 0.9532 (pt) cc_final: 0.8765 (pt) REVERT: C 107 ILE cc_start: 0.9125 (mt) cc_final: 0.8805 (mt) REVERT: C 119 SER cc_start: 0.9603 (p) cc_final: 0.9246 (m) REVERT: C 123 GLN cc_start: 0.9380 (pt0) cc_final: 0.8831 (pt0) REVERT: C 184 GLU cc_start: 0.7970 (tp30) cc_final: 0.7464 (tm-30) REVERT: C 199 ASP cc_start: 0.8004 (t0) cc_final: 0.7746 (t0) REVERT: C 209 ASP cc_start: 0.9149 (t70) cc_final: 0.8772 (m-30) REVERT: C 211 GLU cc_start: 0.8866 (tp30) cc_final: 0.8255 (tp30) REVERT: C 213 LYS cc_start: 0.9443 (mtmt) cc_final: 0.9018 (mmmt) REVERT: C 223 GLU cc_start: 0.9166 (tt0) cc_final: 0.8910 (tt0) REVERT: C 228 MET cc_start: 0.8831 (ttt) cc_final: 0.8628 (ttt) REVERT: C 249 GLU cc_start: 0.7600 (mt-10) cc_final: 0.6907 (mt-10) REVERT: C 250 MET cc_start: 0.8997 (mmm) cc_final: 0.8258 (tpp) REVERT: C 253 ARG cc_start: 0.8526 (ttm170) cc_final: 0.7587 (ttm170) REVERT: C 273 GLU cc_start: 0.9258 (mp0) cc_final: 0.8955 (pm20) REVERT: C 285 ASP cc_start: 0.8940 (m-30) cc_final: 0.8611 (m-30) REVERT: C 287 ASP cc_start: 0.9374 (p0) cc_final: 0.8897 (t0) REVERT: C 293 ILE cc_start: 0.9308 (tp) cc_final: 0.9076 (tp) REVERT: C 312 TYR cc_start: 0.9478 (t80) cc_final: 0.9118 (t80) REVERT: C 321 MET cc_start: 0.8773 (pmm) cc_final: 0.8497 (pmm) REVERT: C 336 ASP cc_start: 0.7705 (t0) cc_final: 0.7372 (t70) REVERT: C 345 TRP cc_start: 0.9500 (t60) cc_final: 0.8937 (t60) REVERT: C 433 TYR cc_start: 0.8533 (p90) cc_final: 0.8045 (p90) REVERT: C 435 THR cc_start: 0.9195 (m) cc_final: 0.8880 (m) REVERT: C 442 ASN cc_start: 0.9453 (t0) cc_final: 0.9248 (t0) REVERT: C 452 PRO cc_start: 0.8983 (Cg_endo) cc_final: 0.8011 (Cg_exo) REVERT: C 481 ILE cc_start: 0.9412 (pt) cc_final: 0.8943 (pt) REVERT: C 510 ASN cc_start: 0.9575 (t0) cc_final: 0.9297 (t0) REVERT: D 71 ASP cc_start: 0.7112 (t0) cc_final: 0.6010 (t0) REVERT: D 83 GLN cc_start: 0.8225 (tm-30) cc_final: 0.7596 (tm-30) REVERT: D 105 ASN cc_start: 0.8750 (t0) cc_final: 0.8288 (m-40) REVERT: D 109 PHE cc_start: 0.9145 (p90) cc_final: 0.8538 (p90) REVERT: D 119 SER cc_start: 0.9594 (t) cc_final: 0.9185 (p) REVERT: D 145 HIS cc_start: 0.8902 (t-90) cc_final: 0.8218 (t-90) REVERT: D 147 MET cc_start: 0.8959 (mmp) cc_final: 0.8736 (mmp) REVERT: D 148 TYR cc_start: 0.9325 (m-80) cc_final: 0.8678 (m-80) REVERT: D 166 LEU cc_start: 0.9188 (mt) cc_final: 0.8903 (mt) REVERT: D 191 GLN cc_start: 0.8975 (tt0) cc_final: 0.8295 (tp-100) REVERT: D 211 GLU cc_start: 0.8768 (mm-30) cc_final: 0.8325 (tp30) REVERT: D 213 LYS cc_start: 0.9115 (mttt) cc_final: 0.8719 (mttt) REVERT: D 214 LYS cc_start: 0.9319 (mttt) cc_final: 0.9090 (mttm) REVERT: D 216 MET cc_start: 0.9493 (mtm) cc_final: 0.9178 (mtt) REVERT: D 250 MET cc_start: 0.9330 (pmm) cc_final: 0.8806 (pmm) REVERT: D 257 GLN cc_start: 0.8951 (mt0) cc_final: 0.8638 (pm20) REVERT: D 264 ARG cc_start: 0.6027 (mtt90) cc_final: 0.5149 (mtt90) REVERT: D 273 GLU cc_start: 0.9732 (mp0) cc_final: 0.9493 (mp0) REVERT: D 289 GLU cc_start: 0.9245 (tt0) cc_final: 0.8943 (tt0) REVERT: D 332 PHE cc_start: 0.8793 (t80) cc_final: 0.8137 (t80) REVERT: D 345 TRP cc_start: 0.9243 (p-90) cc_final: 0.8762 (p-90) REVERT: D 348 GLU cc_start: 0.8512 (mt-10) cc_final: 0.7867 (mt-10) REVERT: D 386 LEU cc_start: 0.9795 (mt) cc_final: 0.9540 (mt) REVERT: D 391 THR cc_start: 0.9334 (p) cc_final: 0.9087 (t) REVERT: D 400 LEU cc_start: 0.9496 (mt) cc_final: 0.9150 (mt) REVERT: D 404 PHE cc_start: 0.9181 (m-80) cc_final: 0.8671 (m-80) REVERT: D 408 THR cc_start: 0.9802 (p) cc_final: 0.9570 (p) REVERT: D 433 TYR cc_start: 0.8381 (p90) cc_final: 0.6757 (p90) REVERT: D 481 ILE cc_start: 0.9017 (mm) cc_final: 0.8559 (tp) REVERT: D 505 ASN cc_start: 0.9362 (t0) cc_final: 0.9075 (t0) REVERT: D 513 PHE cc_start: 0.9240 (m-80) cc_final: 0.8478 (m-80) REVERT: D 515 ARG cc_start: 0.8134 (ptm-80) cc_final: 0.7583 (ttm-80) REVERT: E 12 TRP cc_start: 0.8186 (m100) cc_final: 0.7282 (m100) REVERT: E 15 MET cc_start: 0.9096 (mtm) cc_final: 0.8658 (ppp) REVERT: E 16 ASP cc_start: 0.9319 (t70) cc_final: 0.9078 (t70) REVERT: E 36 LEU cc_start: 0.7456 (tp) cc_final: 0.7092 (tp) REVERT: E 37 ASP cc_start: 0.8845 (p0) cc_final: 0.8317 (t0) REVERT: E 65 TYR cc_start: 0.6472 (m-10) cc_final: 0.6223 (m-80) REVERT: E 79 TYR cc_start: 0.9227 (m-10) cc_final: 0.8914 (m-80) REVERT: E 83 MET cc_start: 0.8426 (tmm) cc_final: 0.8151 (ppp) REVERT: E 112 ASN cc_start: 0.9503 (t0) cc_final: 0.8932 (p0) REVERT: E 146 HIS cc_start: 0.8873 (m-70) cc_final: 0.8583 (m-70) REVERT: E 183 GLN cc_start: 0.6554 (tm-30) cc_final: 0.6263 (tm-30) REVERT: E 232 LYS cc_start: 0.7195 (tptm) cc_final: 0.5882 (tptm) REVERT: E 259 LYS cc_start: 0.9144 (tmmt) cc_final: 0.8832 (ttpp) REVERT: E 285 TRP cc_start: 0.6518 (m100) cc_final: 0.6295 (m100) REVERT: E 330 MET cc_start: 0.7552 (ptm) cc_final: 0.7108 (ptm) REVERT: E 360 GLU cc_start: 0.8790 (mm-30) cc_final: 0.8354 (mm-30) REVERT: E 371 MET cc_start: 0.9398 (mmp) cc_final: 0.8838 (mmp) REVERT: E 444 ILE cc_start: 0.8943 (pt) cc_final: 0.8497 (mm) REVERT: E 451 ASP cc_start: 0.8937 (t70) cc_final: 0.8636 (p0) REVERT: E 457 LEU cc_start: 0.9560 (mt) cc_final: 0.9349 (mt) REVERT: E 470 LEU cc_start: 0.9248 (mt) cc_final: 0.9043 (mt) REVERT: E 472 MET cc_start: 0.9462 (mtm) cc_final: 0.9248 (mtm) REVERT: E 503 LYS cc_start: 0.8867 (mttt) cc_final: 0.8603 (ttmt) REVERT: F 15 MET cc_start: 0.9570 (mtp) cc_final: 0.9260 (mmp) REVERT: F 17 GLU cc_start: 0.8929 (mt-10) cc_final: 0.8488 (mt-10) REVERT: F 26 GLU cc_start: 0.8583 (mp0) cc_final: 0.8141 (mp0) REVERT: F 80 ARG cc_start: 0.8969 (mtt90) cc_final: 0.8627 (mpp80) REVERT: F 83 MET cc_start: 0.7472 (tmm) cc_final: 0.7162 (tmm) REVERT: F 98 ASP cc_start: 0.9057 (m-30) cc_final: 0.8775 (m-30) REVERT: F 113 LEU cc_start: 0.7528 (mt) cc_final: 0.6937 (mt) REVERT: F 124 ASN cc_start: 0.9647 (t0) cc_final: 0.9442 (t0) REVERT: F 125 MET cc_start: 0.8799 (mtm) cc_final: 0.8420 (mtt) REVERT: F 126 MET cc_start: 0.8990 (mmm) cc_final: 0.8681 (mmm) REVERT: F 127 LEU cc_start: 0.9146 (pp) cc_final: 0.8790 (mm) REVERT: F 132 ASP cc_start: 0.9020 (t70) cc_final: 0.8797 (t0) REVERT: F 146 HIS cc_start: 0.9248 (m-70) cc_final: 0.8708 (m-70) REVERT: F 147 PHE cc_start: 0.9303 (t80) cc_final: 0.9025 (t80) REVERT: F 150 TRP cc_start: 0.7995 (t60) cc_final: 0.7621 (t60) REVERT: F 176 ARG cc_start: 0.8933 (ppt170) cc_final: 0.8628 (ppt170) REVERT: F 183 GLN cc_start: 0.8260 (mp10) cc_final: 0.7884 (mp10) REVERT: F 239 HIS cc_start: 0.8399 (p90) cc_final: 0.8174 (p-80) REVERT: F 259 LYS cc_start: 0.7761 (tttp) cc_final: 0.7144 (tppt) REVERT: F 262 ASN cc_start: 0.9214 (m110) cc_final: 0.8991 (m110) REVERT: F 281 ASP cc_start: 0.7945 (t0) cc_final: 0.7179 (p0) REVERT: F 365 PHE cc_start: 0.9578 (m-80) cc_final: 0.9174 (m-80) REVERT: F 371 MET cc_start: 0.8161 (mtp) cc_final: 0.7633 (mtp) REVERT: F 409 GLU cc_start: 0.9765 (mt-10) cc_final: 0.9438 (mt-10) REVERT: F 410 LEU cc_start: 0.9566 (mt) cc_final: 0.9118 (mt) REVERT: F 420 ASP cc_start: 0.9149 (t70) cc_final: 0.8909 (t70) REVERT: F 425 ASN cc_start: 0.9017 (m-40) cc_final: 0.8333 (p0) REVERT: F 436 GLU cc_start: 0.8859 (tp30) cc_final: 0.8549 (tp30) REVERT: F 445 LYS cc_start: 0.9435 (mtpp) cc_final: 0.9078 (mmtt) REVERT: F 459 GLU cc_start: 0.8635 (mt-10) cc_final: 0.8267 (mt-10) REVERT: F 464 GLU cc_start: 0.8819 (pp20) cc_final: 0.8466 (pp20) REVERT: F 465 ARG cc_start: 0.8508 (mtt180) cc_final: 0.8218 (ttm170) REVERT: F 479 LYS cc_start: 0.7006 (mttt) cc_final: 0.6616 (tptt) REVERT: F 480 TYR cc_start: 0.8898 (m-80) cc_final: 0.8052 (m-80) REVERT: F 481 ILE cc_start: 0.9505 (mp) cc_final: 0.9049 (tp) REVERT: F 504 GLN cc_start: 0.9553 (tp-100) cc_final: 0.9339 (tp-100) REVERT: G 31 ILE cc_start: 0.7804 (mt) cc_final: 0.7385 (mt) REVERT: G 43 PHE cc_start: 0.8968 (t80) cc_final: 0.8655 (t80) REVERT: G 70 LYS cc_start: 0.8662 (tptm) cc_final: 0.8407 (mttp) REVERT: G 109 VAL cc_start: 0.8079 (p) cc_final: 0.7169 (p) REVERT: G 174 LEU cc_start: 0.9072 (mt) cc_final: 0.8804 (mt) REVERT: G 178 ASP cc_start: 0.8543 (t0) cc_final: 0.8331 (t0) REVERT: G 265 LYS cc_start: 0.9146 (mtpt) cc_final: 0.8714 (mmmt) REVERT: G 292 MET cc_start: 0.4168 (tpp) cc_final: 0.3028 (tmm) REVERT: G 308 MET cc_start: 0.4057 (mtt) cc_final: 0.3531 (mpp) REVERT: G 371 MET cc_start: 0.9007 (ptm) cc_final: 0.8390 (tmm) REVERT: G 406 PHE cc_start: 0.8795 (t80) cc_final: 0.8442 (t80) REVERT: G 409 GLU cc_start: 0.9143 (mt-10) cc_final: 0.8816 (mt-10) REVERT: G 416 GLU cc_start: 0.8809 (tp30) cc_final: 0.8405 (tp30) REVERT: G 419 LEU cc_start: 0.9698 (mt) cc_final: 0.9491 (mt) REVERT: G 428 LEU cc_start: 0.9118 (mt) cc_final: 0.8821 (mt) REVERT: G 446 ILE cc_start: 0.7335 (pt) cc_final: 0.7001 (pt) REVERT: G 470 LEU cc_start: 0.9058 (mt) cc_final: 0.8818 (mt) REVERT: G 472 MET cc_start: 0.9041 (mtm) cc_final: 0.8640 (ptp) REVERT: G 481 ILE cc_start: 0.7293 (mm) cc_final: 0.7027 (mm) REVERT: G 498 ILE cc_start: 0.6496 (mt) cc_final: 0.6249 (mt) REVERT: G 504 GLN cc_start: 0.8684 (tp-100) cc_final: 0.8141 (tp40) REVERT: G 507 GLU cc_start: 0.8880 (mt-10) cc_final: 0.8644 (mt-10) REVERT: H 16 ASP cc_start: 0.8072 (m-30) cc_final: 0.7684 (m-30) REVERT: H 81 ASN cc_start: 0.9123 (m-40) cc_final: 0.8646 (t0) REVERT: H 98 ASP cc_start: 0.9476 (m-30) cc_final: 0.9069 (p0) REVERT: H 103 GLU cc_start: 0.8152 (mt-10) cc_final: 0.6964 (mp0) REVERT: H 146 HIS cc_start: 0.8646 (m-70) cc_final: 0.8153 (m-70) REVERT: H 147 PHE cc_start: 0.9499 (t80) cc_final: 0.9284 (t80) REVERT: H 152 VAL cc_start: 0.8879 (p) cc_final: 0.8464 (t) REVERT: H 173 GLU cc_start: 0.8081 (pm20) cc_final: 0.7792 (pm20) REVERT: H 263 GLN cc_start: 0.8694 (mt0) cc_final: 0.8358 (mt0) REVERT: H 274 TYR cc_start: 0.7772 (t80) cc_final: 0.7420 (t80) REVERT: H 275 ARG cc_start: 0.9503 (tpt-90) cc_final: 0.9046 (ttp80) REVERT: H 292 MET cc_start: 0.6555 (mtt) cc_final: 0.6207 (ptp) REVERT: H 305 MET cc_start: -0.1854 (ptm) cc_final: -0.2187 (ptm) REVERT: H 308 MET cc_start: 0.3447 (mmt) cc_final: 0.2032 (mmt) REVERT: H 338 ARG cc_start: 0.5357 (ptp90) cc_final: 0.4875 (ptp90) REVERT: H 359 MET cc_start: 0.5505 (mmt) cc_final: 0.5215 (mmt) REVERT: H 363 ARG cc_start: 0.9097 (mtp180) cc_final: 0.8648 (ttm110) REVERT: H 365 PHE cc_start: 0.9432 (m-80) cc_final: 0.8861 (m-80) REVERT: H 403 PHE cc_start: 0.9253 (t80) cc_final: 0.8895 (t80) REVERT: H 407 ILE cc_start: 0.9601 (mm) cc_final: 0.8891 (mm) REVERT: H 409 GLU cc_start: 0.9558 (mt-10) cc_final: 0.9287 (mt-10) REVERT: H 413 LYS cc_start: 0.9337 (mmtt) cc_final: 0.8856 (mmtt) REVERT: H 414 PHE cc_start: 0.9352 (t80) cc_final: 0.8443 (t80) REVERT: H 417 VAL cc_start: 0.9073 (p) cc_final: 0.8472 (t) REVERT: H 459 GLU cc_start: 0.9189 (mt-10) cc_final: 0.8931 (mt-10) REVERT: H 469 MET cc_start: 0.9517 (mtm) cc_final: 0.9316 (mtm) REVERT: H 472 MET cc_start: 0.9059 (mtm) cc_final: 0.8693 (mtp) REVERT: H 487 MET cc_start: 0.8964 (mtt) cc_final: 0.8705 (mtp) REVERT: I 76 ILE cc_start: 0.8877 (mt) cc_final: 0.8538 (mt) REVERT: I 79 TYR cc_start: 0.9331 (m-10) cc_final: 0.8178 (m-80) REVERT: I 126 MET cc_start: 0.8925 (mtm) cc_final: 0.8570 (mtm) REVERT: I 175 ARG cc_start: 0.7985 (mmp80) cc_final: 0.7700 (tpp80) REVERT: I 180 ARG cc_start: 0.8662 (mpp80) cc_final: 0.8356 (mtm-85) REVERT: I 181 GLN cc_start: 0.7542 (mm110) cc_final: 0.6958 (mm-40) REVERT: I 204 GLU cc_start: 0.7259 (mt-10) cc_final: 0.7003 (tt0) REVERT: I 267 LEU cc_start: 0.8705 (mt) cc_final: 0.8355 (mt) REVERT: I 277 THR cc_start: 0.8803 (t) cc_final: 0.8596 (t) REVERT: I 364 TRP cc_start: 0.9198 (t60) cc_final: 0.7825 (t60) REVERT: I 366 ARG cc_start: 0.8865 (ttp-170) cc_final: 0.8393 (ttp-110) REVERT: I 367 GLN cc_start: 0.8872 (tm-30) cc_final: 0.8467 (tm-30) REVERT: I 371 MET cc_start: 0.8506 (mtp) cc_final: 0.8145 (ptp) REVERT: I 446 ILE cc_start: 0.9230 (mt) cc_final: 0.8859 (mt) REVERT: I 449 HIS cc_start: 0.7206 (t-90) cc_final: 0.6863 (t70) REVERT: I 458 LYS cc_start: 0.8409 (ttpt) cc_final: 0.8205 (ttpt) REVERT: I 472 MET cc_start: 0.8732 (mmp) cc_final: 0.8478 (mmp) REVERT: I 481 ILE cc_start: 0.9173 (mm) cc_final: 0.8873 (tp) REVERT: I 501 GLU cc_start: 0.9417 (mm-30) cc_final: 0.8821 (pp20) REVERT: I 504 GLN cc_start: 0.9395 (tp-100) cc_final: 0.8777 (tp-100) REVERT: J 94 GLU cc_start: 0.9471 (tt0) cc_final: 0.9015 (tt0) REVERT: J 98 ASP cc_start: 0.8774 (m-30) cc_final: 0.8323 (m-30) REVERT: J 126 MET cc_start: 0.8838 (mtt) cc_final: 0.8358 (mtt) REVERT: J 127 LEU cc_start: 0.8718 (mt) cc_final: 0.8340 (mt) REVERT: J 128 ASP cc_start: 0.9314 (m-30) cc_final: 0.8877 (t0) REVERT: J 146 HIS cc_start: 0.9257 (m-70) cc_final: 0.8371 (m-70) REVERT: J 157 PHE cc_start: 0.9356 (m-80) cc_final: 0.9030 (m-80) REVERT: J 158 PHE cc_start: 0.9399 (m-80) cc_final: 0.9049 (m-80) REVERT: J 176 ARG cc_start: 0.8813 (ttp-170) cc_final: 0.8248 (ttt180) REVERT: J 183 GLN cc_start: 0.8957 (mp10) cc_final: 0.8617 (mp10) REVERT: J 205 TYR cc_start: 0.9018 (p90) cc_final: 0.8492 (p90) REVERT: J 251 ILE cc_start: 0.8488 (mm) cc_final: 0.8285 (mm) REVERT: J 263 GLN cc_start: 0.9193 (pt0) cc_final: 0.8826 (pt0) REVERT: J 284 VAL cc_start: 0.6915 (p) cc_final: 0.6667 (p) REVERT: J 348 ASP cc_start: 0.8811 (m-30) cc_final: 0.8345 (m-30) REVERT: J 367 GLN cc_start: 0.9308 (tp40) cc_final: 0.8513 (tp40) REVERT: J 371 MET cc_start: 0.9449 (mtp) cc_final: 0.8713 (mtm) REVERT: J 396 ILE cc_start: 0.7814 (mm) cc_final: 0.7117 (mm) REVERT: J 400 GLU cc_start: 0.9249 (tp30) cc_final: 0.9018 (tp30) REVERT: J 401 LEU cc_start: 0.9320 (mm) cc_final: 0.9101 (mm) REVERT: J 405 LYS cc_start: 0.9240 (mttm) cc_final: 0.8907 (mtpp) REVERT: J 408 ARG cc_start: 0.8295 (mmm160) cc_final: 0.7987 (mmm160) REVERT: J 409 GLU cc_start: 0.9192 (mt-10) cc_final: 0.8876 (mt-10) REVERT: J 413 LYS cc_start: 0.9379 (mmtt) cc_final: 0.9065 (mmtt) REVERT: J 414 PHE cc_start: 0.9165 (t80) cc_final: 0.8922 (t80) REVERT: J 431 ILE cc_start: 0.7247 (mm) cc_final: 0.7021 (mm) REVERT: J 451 ASP cc_start: 0.9048 (t0) cc_final: 0.8535 (t0) REVERT: J 457 LEU cc_start: 0.8885 (tt) cc_final: 0.8475 (tt) REVERT: J 458 LYS cc_start: 0.8284 (ttpt) cc_final: 0.7937 (ttpt) REVERT: J 461 GLU cc_start: 0.9331 (mt-10) cc_final: 0.8775 (mt-10) REVERT: J 468 ASN cc_start: 0.9167 (m110) cc_final: 0.8376 (m110) REVERT: J 489 ASP cc_start: 0.8947 (m-30) cc_final: 0.8701 (m-30) REVERT: J 493 MET cc_start: 0.8190 (mmp) cc_final: 0.7976 (mmm) REVERT: J 499 GLU cc_start: 0.9175 (mt-10) cc_final: 0.8663 (pt0) REVERT: J 505 ILE cc_start: 0.8995 (mt) cc_final: 0.8648 (mt) REVERT: K 31 ILE cc_start: 0.7622 (mp) cc_final: 0.6670 (tp) REVERT: K 86 TYR cc_start: 0.6541 (t80) cc_final: 0.5726 (t80) REVERT: K 87 GLU cc_start: 0.8811 (mm-30) cc_final: 0.7754 (mm-30) REVERT: K 125 MET cc_start: 0.8674 (mmp) cc_final: 0.8396 (mmp) REVERT: K 160 LYS cc_start: 0.9604 (mttm) cc_final: 0.9369 (mttt) REVERT: K 202 TYR cc_start: 0.8674 (m-80) cc_final: 0.8315 (m-80) REVERT: K 256 ARG cc_start: 0.7376 (OUTLIER) cc_final: 0.6925 (mtm-85) REVERT: K 301 MET cc_start: 0.1496 (mmm) cc_final: 0.1138 (mmt) REVERT: K 359 MET cc_start: 0.9027 (ttp) cc_final: 0.8622 (ptt) REVERT: K 360 GLU cc_start: 0.9527 (mm-30) cc_final: 0.8862 (mp0) REVERT: K 371 MET cc_start: 0.9645 (mpp) cc_final: 0.9393 (mpp) REVERT: K 379 ARG cc_start: 0.8549 (mmp80) cc_final: 0.7980 (mmm-85) REVERT: K 396 ILE cc_start: 0.8845 (tt) cc_final: 0.8612 (pt) REVERT: K 398 ARG cc_start: 0.7455 (ttt180) cc_final: 0.7203 (ttt-90) REVERT: K 401 LEU cc_start: 0.9096 (mt) cc_final: 0.8766 (mt) REVERT: K 408 ARG cc_start: 0.9493 (mmm160) cc_final: 0.9191 (tpt-90) REVERT: K 419 LEU cc_start: 0.9314 (mt) cc_final: 0.9021 (mt) REVERT: K 420 ASP cc_start: 0.9578 (t0) cc_final: 0.9244 (t0) REVERT: K 423 LYS cc_start: 0.8410 (ptpp) cc_final: 0.8033 (tttp) REVERT: K 453 TYR cc_start: 0.7815 (t80) cc_final: 0.7576 (t80) REVERT: K 457 LEU cc_start: 0.8973 (mt) cc_final: 0.8664 (mt) REVERT: K 461 GLU cc_start: 0.8783 (mt-10) cc_final: 0.8360 (mt-10) REVERT: K 465 ARG cc_start: 0.8983 (tpm170) cc_final: 0.8272 (tpp-160) REVERT: K 472 MET cc_start: 0.9325 (mtm) cc_final: 0.8529 (mtp) REVERT: K 485 THR cc_start: 0.9332 (p) cc_final: 0.8929 (p) REVERT: K 487 MET cc_start: 0.9127 (mtm) cc_final: 0.8745 (ttm) REVERT: K 488 LYS cc_start: 0.8216 (pttp) cc_final: 0.8008 (pttp) REVERT: K 497 GLU cc_start: 0.7510 (tt0) cc_final: 0.7252 (tt0) REVERT: K 498 ILE cc_start: 0.9510 (mt) cc_final: 0.9260 (mt) REVERT: K 501 GLU cc_start: 0.9240 (mm-30) cc_final: 0.9012 (mm-30) REVERT: K 503 LYS cc_start: 0.8022 (tttm) cc_final: 0.7678 (mmmm) REVERT: L 24 GLU cc_start: 0.8569 (tt0) cc_final: 0.7899 (mt-10) REVERT: L 83 MET cc_start: 0.9335 (ttp) cc_final: 0.8861 (tpt) REVERT: L 85 ASN cc_start: 0.9177 (m-40) cc_final: 0.8899 (m110) REVERT: L 88 VAL cc_start: 0.9576 (t) cc_final: 0.9348 (t) REVERT: L 111 LEU cc_start: 0.9404 (tp) cc_final: 0.9182 (tp) REVERT: L 113 LEU cc_start: 0.7258 (mt) cc_final: 0.6600 (mt) REVERT: L 128 ASP cc_start: 0.9535 (m-30) cc_final: 0.9147 (t70) REVERT: L 146 HIS cc_start: 0.9040 (m-70) cc_final: 0.8577 (m-70) REVERT: L 202 TYR cc_start: 0.7403 (m-80) cc_final: 0.6849 (m-80) REVERT: L 215 TYR cc_start: 0.7379 (m-10) cc_final: 0.7156 (m-80) REVERT: L 221 MET cc_start: 0.7553 (mtp) cc_final: 0.7349 (mtp) REVERT: L 259 LYS cc_start: 0.8665 (mttt) cc_final: 0.8349 (ttmt) REVERT: L 262 ASN cc_start: 0.8854 (t0) cc_final: 0.8390 (m110) REVERT: L 265 LYS cc_start: 0.8110 (mmmt) cc_final: 0.7831 (mmmt) REVERT: L 268 GLU cc_start: 0.9272 (tt0) cc_final: 0.8517 (tm-30) REVERT: L 277 THR cc_start: 0.8154 (p) cc_final: 0.7952 (p) REVERT: L 359 MET cc_start: 0.7925 (pmm) cc_final: 0.7583 (pmm) REVERT: L 363 ARG cc_start: 0.8821 (mtt180) cc_final: 0.8175 (ttm110) REVERT: L 380 ILE cc_start: 0.8746 (mt) cc_final: 0.8288 (pt) REVERT: L 401 LEU cc_start: 0.9648 (mt) cc_final: 0.9432 (mt) REVERT: L 414 PHE cc_start: 0.9008 (t80) cc_final: 0.8576 (t80) REVERT: L 419 LEU cc_start: 0.9331 (mt) cc_final: 0.9031 (mt) REVERT: L 420 ASP cc_start: 0.9177 (t0) cc_final: 0.8859 (t0) REVERT: L 454 PHE cc_start: 0.9183 (m-80) cc_final: 0.8830 (m-80) REVERT: L 457 LEU cc_start: 0.9264 (mm) cc_final: 0.9056 (mm) REVERT: L 480 TYR cc_start: 0.9079 (m-80) cc_final: 0.8607 (m-80) REVERT: L 487 MET cc_start: 0.8746 (mmt) cc_final: 0.8248 (mmt) REVERT: L 493 MET cc_start: 0.7966 (mpp) cc_final: 0.7716 (mpp) REVERT: L 504 GLN cc_start: 0.9126 (mt0) cc_final: 0.8803 (mm-40) REVERT: M 36 LEU cc_start: 0.8543 (mt) cc_final: 0.8076 (mt) REVERT: M 38 ASP cc_start: 0.8889 (p0) cc_final: 0.8567 (p0) REVERT: M 41 ARG cc_start: 0.8907 (ptp90) cc_final: 0.8386 (ptp90) REVERT: M 45 VAL cc_start: 0.7807 (t) cc_final: 0.7429 (t) REVERT: M 74 GLU cc_start: 0.9304 (mt-10) cc_final: 0.9059 (mt-10) REVERT: M 75 LEU cc_start: 0.9083 (mt) cc_final: 0.8777 (mt) REVERT: M 78 THR cc_start: 0.8554 (m) cc_final: 0.8299 (p) REVERT: M 79 TYR cc_start: 0.9444 (m-10) cc_final: 0.9014 (m-80) REVERT: M 84 ASN cc_start: 0.8272 (m110) cc_final: 0.7981 (m110) REVERT: M 98 ASP cc_start: 0.9423 (m-30) cc_final: 0.9092 (m-30) REVERT: M 123 LYS cc_start: 0.9125 (mttt) cc_final: 0.8908 (mttm) REVERT: M 128 ASP cc_start: 0.9438 (m-30) cc_final: 0.9227 (m-30) REVERT: M 137 LEU cc_start: 0.9371 (mt) cc_final: 0.9127 (mt) REVERT: M 146 HIS cc_start: 0.9094 (m-70) cc_final: 0.8621 (m-70) REVERT: M 151 TYR cc_start: 0.9386 (t80) cc_final: 0.8875 (t80) REVERT: M 179 PRO cc_start: 0.9690 (Cg_exo) cc_final: 0.9405 (Cg_endo) REVERT: M 239 HIS cc_start: 0.8225 (p-80) cc_final: 0.6998 (p-80) REVERT: M 271 VAL cc_start: 0.9196 (p) cc_final: 0.8821 (m) REVERT: M 350 LEU cc_start: 0.7900 (mt) cc_final: 0.7664 (mt) REVERT: M 371 MET cc_start: 0.9391 (mtp) cc_final: 0.9007 (mtp) REVERT: M 373 LEU cc_start: 0.9541 (mt) cc_final: 0.9329 (mt) REVERT: M 401 LEU cc_start: 0.9269 (mt) cc_final: 0.8988 (mt) REVERT: M 406 PHE cc_start: 0.9492 (t80) cc_final: 0.9169 (t80) REVERT: M 420 ASP cc_start: 0.9481 (t70) cc_final: 0.9203 (t0) REVERT: M 457 LEU cc_start: 0.9361 (mt) cc_final: 0.9154 (mt) REVERT: M 472 MET cc_start: 0.8811 (mtp) cc_final: 0.8338 (mtp) REVERT: M 487 MET cc_start: 0.9025 (mtt) cc_final: 0.8510 (mtp) REVERT: M 493 MET cc_start: 0.8696 (mtm) cc_final: 0.8353 (mtm) REVERT: M 496 GLU cc_start: 0.8898 (pp20) cc_final: 0.8467 (tm-30) REVERT: M 500 GLN cc_start: 0.8823 (mm110) cc_final: 0.8458 (mm-40) REVERT: M 504 GLN cc_start: 0.8409 (tp40) cc_final: 0.7917 (tp40) REVERT: M 507 GLU cc_start: 0.9343 (mt-10) cc_final: 0.8942 (mm-30) REVERT: N 45 VAL cc_start: 0.8083 (m) cc_final: 0.7502 (m) REVERT: N 66 GLU cc_start: 0.6589 (mp0) cc_final: 0.6277 (mp0) REVERT: N 73 ARG cc_start: 0.8151 (mtp180) cc_final: 0.7815 (mtp180) REVERT: N 101 VAL cc_start: 0.8544 (p) cc_final: 0.7777 (m) REVERT: N 103 GLU cc_start: 0.8340 (mt-10) cc_final: 0.8039 (mt-10) REVERT: N 130 PHE cc_start: 0.8804 (t80) cc_final: 0.8472 (t80) REVERT: N 147 PHE cc_start: 0.9020 (t80) cc_final: 0.8226 (t80) REVERT: N 149 ARG cc_start: 0.9121 (mtt180) cc_final: 0.8694 (mtt180) REVERT: N 150 TRP cc_start: 0.8965 (t60) cc_final: 0.7555 (t60) REVERT: N 171 ILE cc_start: 0.7373 (tp) cc_final: 0.7105 (mm) REVERT: N 180 ARG cc_start: 0.7493 (mtt90) cc_final: 0.6716 (mtt-85) REVERT: N 207 ILE cc_start: 0.8664 (tp) cc_final: 0.8284 (tp) REVERT: N 221 MET cc_start: 0.3525 (mmt) cc_final: 0.2672 (mmt) REVERT: N 366 ARG cc_start: 0.8723 (mtp-110) cc_final: 0.8291 (ptm160) REVERT: N 400 GLU cc_start: 0.9226 (mm-30) cc_final: 0.8766 (mm-30) REVERT: N 410 LEU cc_start: 0.9002 (mt) cc_final: 0.8683 (mt) REVERT: N 414 PHE cc_start: 0.9238 (t80) cc_final: 0.7292 (t80) REVERT: N 432 ILE cc_start: 0.9101 (mp) cc_final: 0.8809 (tp) REVERT: N 459 GLU cc_start: 0.9391 (mm-30) cc_final: 0.9182 (mm-30) REVERT: N 464 GLU cc_start: 0.9246 (tt0) cc_final: 0.8937 (tt0) REVERT: N 469 MET cc_start: 0.9357 (ttm) cc_final: 0.9066 (ttp) REVERT: N 500 GLN cc_start: 0.9506 (tm-30) cc_final: 0.9273 (pp30) REVERT: N 507 GLU cc_start: 0.9121 (tt0) cc_final: 0.8546 (tm-30) REVERT: O 15 MET cc_start: 0.7333 (mtp) cc_final: 0.7038 (mtm) REVERT: O 69 MET cc_start: 0.8118 (mmm) cc_final: 0.7631 (mmm) REVERT: O 73 ARG cc_start: 0.7759 (mtt-85) cc_final: 0.7494 (tpp-160) REVERT: O 79 TYR cc_start: 0.8987 (m-80) cc_final: 0.8762 (m-80) REVERT: O 83 MET cc_start: 0.8643 (ttp) cc_final: 0.7907 (tpp) REVERT: O 113 LEU cc_start: 0.8397 (mp) cc_final: 0.7683 (mp) REVERT: O 126 MET cc_start: 0.8965 (mtm) cc_final: 0.8678 (mtm) REVERT: O 161 ILE cc_start: 0.8087 (mm) cc_final: 0.7857 (mm) REVERT: O 172 LYS cc_start: 0.7196 (mmtt) cc_final: 0.6862 (mtmt) REVERT: O 182 VAL cc_start: 0.9342 (t) cc_final: 0.9104 (p) REVERT: O 250 ILE cc_start: 0.8574 (mt) cc_final: 0.8264 (mt) REVERT: O 274 TYR cc_start: 0.9156 (t80) cc_final: 0.8486 (t80) REVERT: O 275 ARG cc_start: 0.8729 (mmm160) cc_final: 0.8141 (mmm160) REVERT: O 292 MET cc_start: 0.6735 (mtt) cc_final: 0.5829 (ttm) REVERT: O 328 MET cc_start: 0.6242 (tpp) cc_final: 0.5954 (tpp) REVERT: O 334 TYR cc_start: 0.7503 (m-80) cc_final: 0.6417 (m-80) REVERT: O 350 LEU cc_start: 0.7362 (tt) cc_final: 0.7071 (tt) REVERT: O 364 TRP cc_start: 0.9328 (t60) cc_final: 0.8927 (t60) REVERT: O 367 GLN cc_start: 0.9345 (mt0) cc_final: 0.8945 (mt0) REVERT: O 408 ARG cc_start: 0.9468 (ttp-110) cc_final: 0.9160 (ttp-110) REVERT: O 413 LYS cc_start: 0.8986 (mttp) cc_final: 0.8782 (ttmm) REVERT: O 416 GLU cc_start: 0.8270 (mm-30) cc_final: 0.7439 (tt0) REVERT: O 420 ASP cc_start: 0.9591 (t0) cc_final: 0.9291 (t0) REVERT: O 447 GLU cc_start: 0.8521 (mt-10) cc_final: 0.8256 (mp0) REVERT: O 469 MET cc_start: 0.9373 (mmp) cc_final: 0.8773 (ttm) REVERT: O 490 ILE cc_start: 0.8852 (mp) cc_final: 0.8338 (mp) REVERT: P 20 PHE cc_start: 0.9390 (t80) cc_final: 0.9181 (t80) REVERT: P 73 ARG cc_start: 0.8660 (tpt170) cc_final: 0.8254 (tpt90) REVERT: P 80 ARG cc_start: 0.9070 (mmt90) cc_final: 0.8785 (mtp180) REVERT: P 104 ASP cc_start: 0.9243 (m-30) cc_final: 0.8819 (p0) REVERT: P 105 ASP cc_start: 0.9034 (m-30) cc_final: 0.8811 (t70) REVERT: P 118 PHE cc_start: 0.7660 (t80) cc_final: 0.7252 (t80) REVERT: P 125 MET cc_start: 0.9209 (mmm) cc_final: 0.8894 (mtt) REVERT: P 132 ASP cc_start: 0.8675 (t0) cc_final: 0.8226 (m-30) REVERT: P 153 ASP cc_start: 0.9019 (m-30) cc_final: 0.8796 (m-30) REVERT: P 156 ILE cc_start: 0.8327 (tt) cc_final: 0.7997 (tt) REVERT: P 158 PHE cc_start: 0.9277 (m-80) cc_final: 0.8886 (m-80) REVERT: P 178 ASP cc_start: 0.8650 (t70) cc_final: 0.8271 (t70) REVERT: P 221 MET cc_start: 0.7487 (tpt) cc_final: 0.7170 (tpp) REVERT: P 255 HIS cc_start: 0.9126 (t70) cc_final: 0.8813 (t70) REVERT: P 263 GLN cc_start: 0.9499 (tt0) cc_final: 0.9192 (tt0) REVERT: P 301 MET cc_start: 0.1942 (tpt) cc_final: 0.1424 (tpt) REVERT: P 308 MET cc_start: -0.0356 (mmt) cc_final: -0.1200 (mtt) REVERT: P 330 MET cc_start: 0.6793 (tmm) cc_final: 0.6537 (tmm) REVERT: P 332 GLU cc_start: 0.8426 (mm-30) cc_final: 0.7910 (mm-30) REVERT: P 358 ASN cc_start: 0.8674 (m-40) cc_final: 0.7547 (t0) REVERT: P 360 GLU cc_start: 0.8384 (pt0) cc_final: 0.7906 (pt0) REVERT: P 361 ASP cc_start: 0.9052 (m-30) cc_final: 0.8823 (m-30) REVERT: P 365 PHE cc_start: 0.9600 (m-80) cc_final: 0.9213 (m-80) REVERT: P 373 LEU cc_start: 0.9220 (mt) cc_final: 0.8946 (mt) REVERT: P 377 LEU cc_start: 0.8962 (mp) cc_final: 0.8761 (mp) REVERT: P 396 ILE cc_start: 0.8125 (tt) cc_final: 0.7654 (tt) REVERT: P 399 ASP cc_start: 0.9175 (m-30) cc_final: 0.8933 (m-30) REVERT: P 400 GLU cc_start: 0.8801 (mm-30) cc_final: 0.8399 (mm-30) REVERT: P 436 GLU cc_start: 0.8452 (mt-10) cc_final: 0.7839 (mm-30) REVERT: P 443 ASN cc_start: 0.9430 (t0) cc_final: 0.9162 (t0) REVERT: P 461 GLU cc_start: 0.8519 (mt-10) cc_final: 0.7874 (mt-10) REVERT: P 493 MET cc_start: 0.8249 (mmp) cc_final: 0.7866 (mmm) REVERT: P 501 GLU cc_start: 0.9427 (mm-30) cc_final: 0.8590 (mm-30) REVERT: P 505 ILE cc_start: 0.7351 (mt) cc_final: 0.5888 (mt) outliers start: 10 outliers final: 2 residues processed: 7081 average time/residue: 1.1324 time to fit residues: 14046.0984 Evaluate side-chains 6182 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 6178 time to evaluate : 10.520 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=3.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 626 optimal weight: 10.0000 chunk 1678 optimal weight: 0.9980 chunk 368 optimal weight: 0.0980 chunk 1094 optimal weight: 2.9990 chunk 460 optimal weight: 1.9990 chunk 1865 optimal weight: 0.7980 chunk 1548 optimal weight: 0.9980 chunk 863 optimal weight: 0.9980 chunk 155 optimal weight: 6.9990 chunk 617 optimal weight: 0.4980 chunk 979 optimal weight: 0.8980 overall best weight: 0.6580 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 315 GLN ** a 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** b 466 ASN ** c 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 240 ASN ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 72 HIS ** d 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 257 GLN ** e 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 180 HIS f 245 ASN f 490 GLN ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 303 ASN g 381 ASN g 431 GLN h 191 GLN ** h 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** h 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 303 ASN ** j 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 381 ASN ** j 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 335 GLN l 468 GLN ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** n 215 GLN ** n 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 374 ASN n 427 GLN n 431 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 315 GLN p 468 GLN ** p 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 171 GLN ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN q 356 GLN ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 105 ASN r 245 ASN ** r 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 157 GLN t 398 GLN ** t 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 311 ASN ** w 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 265 GLN x 303 ASN ** x 490 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 105 ASN ** y 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN ** z 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 90 GLN B 240 ASN B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 240 ASN ** C 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 427 GLN D 72 HIS D 90 GLN ** D 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** D 490 GLN ** E 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 442 ASN ** E 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 367 GLN G 135 ASN ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** H 212 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** I 48 ASN I 90 ASN ** I 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** J 146 HIS ** J 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 81 ASN K 183 GLN K 249 ASN K 262 ASN K 263 GLN ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 324 GLN L 358 ASN L 411 GLN ** M 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 159 HIS ** M 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 438 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 136 HIS N 262 ASN N 367 GLN ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 442 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 306 ASN O 438 ASN O 492 GLN ** P 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 303 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 65 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7158 moved from start: 0.6105 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.079 153284 Z= 0.203 Angle : 0.683 12.349 207272 Z= 0.369 Chirality : 0.047 0.441 22633 Planarity : 0.005 0.155 27252 Dihedral : 5.567 42.420 21163 Min Nonbonded Distance : 2.064 Molprobity Statistics. All-atom Clashscore : 21.36 Ramachandran Plot: Outliers : 0.12 % Allowed : 7.68 % Favored : 92.20 % Rotamer: Outliers : 0.04 % Allowed : 1.56 % Favored : 98.40 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.04 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.13 (0.06), residues: 19365 helix: 0.83 (0.07), residues: 5970 sheet: -1.44 (0.09), residues: 3101 loop : -1.50 (0.06), residues: 10294 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.059 0.002 TRP z 247 HIS 0.016 0.001 HIS P 159 PHE 0.034 0.002 PHE P 206 TYR 0.046 0.002 TYR F 184 ARG 0.018 0.001 ARG K 41 *********************** REFINEMENT MACRO_CYCLE 6 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7216 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 7210 time to evaluate : 10.628 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.7883 (m-70) cc_final: 0.7258 (m170) REVERT: a 79 ILE cc_start: 0.8160 (mt) cc_final: 0.7908 (mt) REVERT: a 83 GLN cc_start: 0.8644 (tp40) cc_final: 0.8056 (tm-30) REVERT: a 99 VAL cc_start: 0.8771 (t) cc_final: 0.8439 (t) REVERT: a 134 ASP cc_start: 0.8470 (t0) cc_final: 0.8127 (t0) REVERT: a 142 GLU cc_start: 0.8562 (pt0) cc_final: 0.7921 (pt0) REVERT: a 145 HIS cc_start: 0.8742 (t-90) cc_final: 0.8476 (t-90) REVERT: a 147 MET cc_start: 0.8253 (mmm) cc_final: 0.7567 (mmm) REVERT: a 199 ASP cc_start: 0.8733 (t70) cc_final: 0.8291 (t0) REVERT: a 223 GLU cc_start: 0.7564 (tt0) cc_final: 0.7155 (tm-30) REVERT: a 256 LYS cc_start: 0.8715 (ptmt) cc_final: 0.8450 (ptmt) REVERT: a 262 LYS cc_start: 0.9388 (ttmm) cc_final: 0.9171 (ttmm) REVERT: a 289 GLU cc_start: 0.9278 (tm-30) cc_final: 0.8804 (tm-30) REVERT: a 294 LEU cc_start: 0.9436 (mt) cc_final: 0.9129 (mt) REVERT: a 301 GLU cc_start: 0.9370 (tt0) cc_final: 0.9069 (tt0) REVERT: a 334 PHE cc_start: 0.9069 (m-80) cc_final: 0.8691 (m-80) REVERT: a 336 ASP cc_start: 0.8146 (t0) cc_final: 0.7731 (t0) REVERT: a 345 TRP cc_start: 0.8862 (p-90) cc_final: 0.7259 (p-90) REVERT: a 350 PHE cc_start: 0.9454 (m-80) cc_final: 0.9158 (m-80) REVERT: a 363 GLU cc_start: 0.9194 (tp30) cc_final: 0.8200 (pt0) REVERT: a 364 ILE cc_start: 0.9400 (mm) cc_final: 0.9140 (mm) REVERT: a 376 ILE cc_start: 0.9218 (tt) cc_final: 0.8950 (tt) REVERT: a 404 PHE cc_start: 0.8224 (m-80) cc_final: 0.7479 (m-80) REVERT: a 423 VAL cc_start: 0.9608 (t) cc_final: 0.9337 (t) REVERT: a 426 ASP cc_start: 0.9579 (t0) cc_final: 0.9335 (t0) REVERT: a 430 LYS cc_start: 0.9131 (mmpt) cc_final: 0.8844 (mmpt) REVERT: a 432 ASP cc_start: 0.8296 (t70) cc_final: 0.7851 (t70) REVERT: a 442 ASN cc_start: 0.8681 (t0) cc_final: 0.8276 (t0) REVERT: a 443 GLU cc_start: 0.8600 (mm-30) cc_final: 0.8240 (mm-30) REVERT: a 449 TYR cc_start: 0.8225 (m-10) cc_final: 0.7837 (m-80) REVERT: a 471 MET cc_start: 0.8163 (ppp) cc_final: 0.7868 (ppp) REVERT: a 481 ILE cc_start: 0.9357 (pt) cc_final: 0.8581 (pt) REVERT: a 490 GLN cc_start: 0.8554 (mm-40) cc_final: 0.7698 (mm-40) REVERT: a 505 ASN cc_start: 0.8380 (m110) cc_final: 0.8163 (m110) REVERT: b 105 ASN cc_start: 0.8943 (m-40) cc_final: 0.8694 (m-40) REVERT: b 133 LYS cc_start: 0.7693 (mtpp) cc_final: 0.7224 (tptt) REVERT: b 147 MET cc_start: 0.7877 (mtm) cc_final: 0.7525 (mtm) REVERT: b 153 MET cc_start: 0.8687 (mpp) cc_final: 0.8374 (mpp) REVERT: b 182 PHE cc_start: 0.8638 (m-80) cc_final: 0.8109 (m-80) REVERT: b 199 ASP cc_start: 0.8759 (t0) cc_final: 0.8445 (t0) REVERT: b 207 LYS cc_start: 0.9009 (mttt) cc_final: 0.8720 (mtmt) REVERT: b 209 ASP cc_start: 0.8940 (m-30) cc_final: 0.8310 (m-30) REVERT: b 221 LEU cc_start: 0.9436 (mt) cc_final: 0.8973 (mt) REVERT: b 234 GLU cc_start: 0.8981 (tt0) cc_final: 0.8725 (tt0) REVERT: b 247 TRP cc_start: 0.7864 (m100) cc_final: 0.6310 (m100) REVERT: b 252 PHE cc_start: 0.8452 (p90) cc_final: 0.7901 (p90) REVERT: b 257 GLN cc_start: 0.9011 (pt0) cc_final: 0.7728 (pm20) REVERT: b 265 GLN cc_start: 0.8327 (tt0) cc_final: 0.7665 (pp30) REVERT: b 285 ASP cc_start: 0.6929 (m-30) cc_final: 0.6497 (p0) REVERT: b 311 ASN cc_start: 0.9278 (m-40) cc_final: 0.8860 (m-40) REVERT: b 334 PHE cc_start: 0.7307 (m-80) cc_final: 0.7007 (m-80) REVERT: b 348 GLU cc_start: 0.7661 (pt0) cc_final: 0.7432 (tp30) REVERT: b 350 PHE cc_start: 0.9648 (m-10) cc_final: 0.9203 (m-10) REVERT: b 351 LYS cc_start: 0.9643 (mtmm) cc_final: 0.8920 (mtmm) REVERT: b 375 PHE cc_start: 0.9290 (p90) cc_final: 0.9040 (p90) REVERT: b 390 ASP cc_start: 0.8742 (t70) cc_final: 0.8528 (t70) REVERT: b 404 PHE cc_start: 0.7933 (m-80) cc_final: 0.7509 (m-80) REVERT: b 426 ASP cc_start: 0.8641 (t0) cc_final: 0.8266 (t0) REVERT: b 427 GLN cc_start: 0.9092 (pt0) cc_final: 0.8705 (pt0) REVERT: b 428 TYR cc_start: 0.9377 (m-80) cc_final: 0.8453 (m-80) REVERT: b 442 ASN cc_start: 0.8683 (t0) cc_final: 0.8056 (t0) REVERT: b 444 MET cc_start: 0.9638 (mmp) cc_final: 0.9269 (mmm) REVERT: b 459 LEU cc_start: 0.5526 (tp) cc_final: 0.5249 (tt) REVERT: b 481 ILE cc_start: 0.8945 (mt) cc_final: 0.8681 (mt) REVERT: b 483 PRO cc_start: 0.9339 (Cg_exo) cc_final: 0.8392 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8696 (m-80) cc_final: 0.7856 (m-80) REVERT: b 486 GLU cc_start: 0.9066 (pm20) cc_final: 0.8514 (tm-30) REVERT: b 509 LYS cc_start: 0.9002 (mttt) cc_final: 0.8738 (mttm) REVERT: b 510 ASN cc_start: 0.9527 (t0) cc_final: 0.8688 (p0) REVERT: b 512 TYR cc_start: 0.9260 (m-80) cc_final: 0.8772 (m-80) REVERT: b 513 PHE cc_start: 0.9143 (m-80) cc_final: 0.8496 (m-80) REVERT: c 144 PHE cc_start: 0.9241 (m-80) cc_final: 0.8945 (m-80) REVERT: c 151 ASP cc_start: 0.8221 (t0) cc_final: 0.7447 (t0) REVERT: c 183 GLN cc_start: 0.9196 (tm-30) cc_final: 0.8924 (tm-30) REVERT: c 191 GLN cc_start: 0.8896 (tt0) cc_final: 0.8034 (mm-40) REVERT: c 264 ARG cc_start: 0.6617 (mmm160) cc_final: 0.5973 (mmm160) REVERT: c 289 GLU cc_start: 0.9605 (tp30) cc_final: 0.9325 (tm-30) REVERT: c 293 ILE cc_start: 0.9365 (mt) cc_final: 0.8892 (mt) REVERT: c 294 LEU cc_start: 0.9674 (mt) cc_final: 0.9376 (mt) REVERT: c 301 GLU cc_start: 0.9249 (mt-10) cc_final: 0.8992 (mt-10) REVERT: c 305 GLU cc_start: 0.9317 (tt0) cc_final: 0.8885 (tt0) REVERT: c 333 ASP cc_start: 0.8883 (t0) cc_final: 0.8648 (t0) REVERT: c 336 ASP cc_start: 0.8076 (t0) cc_final: 0.7690 (t0) REVERT: c 351 LYS cc_start: 0.9694 (mttm) cc_final: 0.9361 (mttm) REVERT: c 363 GLU cc_start: 0.8730 (tp30) cc_final: 0.7906 (tp30) REVERT: c 366 ARG cc_start: 0.8529 (ttm-80) cc_final: 0.8309 (ptm160) REVERT: c 367 GLN cc_start: 0.8348 (mm-40) cc_final: 0.7807 (mm-40) REVERT: c 390 ASP cc_start: 0.8369 (t0) cc_final: 0.8083 (t0) REVERT: c 400 LEU cc_start: 0.9612 (mt) cc_final: 0.9359 (mt) REVERT: c 463 ASP cc_start: 0.8875 (t0) cc_final: 0.8619 (t0) REVERT: c 477 TYR cc_start: 0.8615 (p90) cc_final: 0.8260 (p90) REVERT: c 482 ASN cc_start: 0.8955 (t0) cc_final: 0.8740 (t0) REVERT: c 512 TYR cc_start: 0.9534 (m-80) cc_final: 0.9272 (m-80) REVERT: d 96 MET cc_start: 0.8552 (tpp) cc_final: 0.8010 (tpp) REVERT: d 106 LEU cc_start: 0.9110 (mp) cc_final: 0.8839 (mp) REVERT: d 110 ASP cc_start: 0.8612 (m-30) cc_final: 0.8382 (m-30) REVERT: d 182 PHE cc_start: 0.8932 (m-80) cc_final: 0.8207 (m-80) REVERT: d 190 LEU cc_start: 0.9173 (mt) cc_final: 0.8844 (mt) REVERT: d 209 ASP cc_start: 0.8465 (m-30) cc_final: 0.7841 (m-30) REVERT: d 215 GLN cc_start: 0.9330 (mm-40) cc_final: 0.9072 (mp10) REVERT: d 216 MET cc_start: 0.9064 (mtp) cc_final: 0.8722 (mtm) REVERT: d 224 ILE cc_start: 0.8842 (tp) cc_final: 0.8129 (pt) REVERT: d 226 GLU cc_start: 0.7756 (tm-30) cc_final: 0.7330 (tm-30) REVERT: d 228 MET cc_start: 0.7938 (ttm) cc_final: 0.7681 (ttm) REVERT: d 250 MET cc_start: 0.8809 (mpp) cc_final: 0.8280 (mpp) REVERT: d 252 PHE cc_start: 0.6985 (p90) cc_final: 0.6192 (p90) REVERT: d 279 ARG cc_start: 0.8320 (ttm-80) cc_final: 0.7974 (tpp80) REVERT: d 284 MET cc_start: 0.8864 (mmm) cc_final: 0.8400 (mmm) REVERT: d 305 GLU cc_start: 0.9111 (tt0) cc_final: 0.8799 (tt0) REVERT: d 318 LYS cc_start: 0.9598 (tptp) cc_final: 0.9016 (tmtt) REVERT: d 328 LYS cc_start: 0.7990 (mmpt) cc_final: 0.7673 (tptp) REVERT: d 332 PHE cc_start: 0.9215 (t80) cc_final: 0.8403 (t80) REVERT: d 333 ASP cc_start: 0.7514 (t0) cc_final: 0.6975 (t0) REVERT: d 334 PHE cc_start: 0.8151 (m-80) cc_final: 0.7805 (m-80) REVERT: d 336 ASP cc_start: 0.8672 (t0) cc_final: 0.8078 (t0) REVERT: d 363 GLU cc_start: 0.9215 (tp30) cc_final: 0.8604 (tp30) REVERT: d 372 GLU cc_start: 0.9174 (pm20) cc_final: 0.8121 (pm20) REVERT: d 384 ASN cc_start: 0.9093 (m-40) cc_final: 0.8827 (m-40) REVERT: d 390 ASP cc_start: 0.9000 (t0) cc_final: 0.8532 (t0) REVERT: d 391 THR cc_start: 0.9425 (p) cc_final: 0.9020 (t) REVERT: d 405 SER cc_start: 0.9395 (t) cc_final: 0.8941 (p) REVERT: d 406 THR cc_start: 0.8840 (p) cc_final: 0.8574 (p) REVERT: d 407 ASP cc_start: 0.9231 (m-30) cc_final: 0.8967 (p0) REVERT: d 412 VAL cc_start: 0.9237 (m) cc_final: 0.8921 (m) REVERT: d 424 TYR cc_start: 0.8842 (m-80) cc_final: 0.7721 (m-10) REVERT: d 428 TYR cc_start: 0.9027 (m-80) cc_final: 0.8608 (m-10) REVERT: d 432 ASP cc_start: 0.8178 (p0) cc_final: 0.7751 (p0) REVERT: d 513 PHE cc_start: 0.9464 (m-80) cc_final: 0.9260 (m-80) REVERT: d 515 ARG cc_start: 0.8810 (tmm160) cc_final: 0.8264 (tmm-80) REVERT: e 105 ASN cc_start: 0.9162 (t0) cc_final: 0.8747 (m110) REVERT: e 123 GLN cc_start: 0.9053 (pt0) cc_final: 0.8752 (pt0) REVERT: e 147 MET cc_start: 0.8544 (mmt) cc_final: 0.8035 (mmm) REVERT: e 250 MET cc_start: 0.8103 (mpp) cc_final: 0.7667 (mpp) REVERT: e 252 PHE cc_start: 0.9551 (p90) cc_final: 0.8897 (p90) REVERT: e 260 GLU cc_start: 0.8647 (pp20) cc_final: 0.8387 (pm20) REVERT: e 266 LEU cc_start: 0.9691 (mt) cc_final: 0.9277 (mt) REVERT: e 303 ASN cc_start: 0.9350 (m-40) cc_final: 0.8995 (m-40) REVERT: e 309 TRP cc_start: 0.9085 (m100) cc_final: 0.8774 (m100) REVERT: e 344 ARG cc_start: 0.7939 (mmt180) cc_final: 0.7439 (mmt90) REVERT: e 351 LYS cc_start: 0.8542 (mttm) cc_final: 0.8240 (mttm) REVERT: e 359 LYS cc_start: 0.9494 (mtpt) cc_final: 0.9160 (mtpt) REVERT: e 390 ASP cc_start: 0.8210 (t0) cc_final: 0.7937 (t70) REVERT: e 405 SER cc_start: 0.8998 (m) cc_final: 0.8615 (p) REVERT: e 426 ASP cc_start: 0.9261 (t0) cc_final: 0.8836 (t0) REVERT: e 452 PRO cc_start: 0.9400 (Cg_endo) cc_final: 0.8278 (Cg_exo) REVERT: e 453 TYR cc_start: 0.7981 (t80) cc_final: 0.7584 (t80) REVERT: e 463 ASP cc_start: 0.9266 (t0) cc_final: 0.8998 (t0) REVERT: e 471 MET cc_start: 0.7180 (tmm) cc_final: 0.6719 (tmm) REVERT: e 473 PHE cc_start: 0.8846 (m-10) cc_final: 0.8603 (m-10) REVERT: e 474 LYS cc_start: 0.9265 (mtpp) cc_final: 0.8959 (mtpt) REVERT: e 482 ASN cc_start: 0.9106 (t0) cc_final: 0.8428 (p0) REVERT: e 497 GLN cc_start: 0.8719 (mm-40) cc_final: 0.8422 (mm-40) REVERT: e 513 PHE cc_start: 0.9479 (m-80) cc_final: 0.8775 (m-80) REVERT: f 96 MET cc_start: 0.8567 (mtm) cc_final: 0.8323 (mtt) REVERT: f 98 MET cc_start: 0.5611 (ptt) cc_final: 0.4682 (ptt) REVERT: f 131 TYR cc_start: 0.8229 (p90) cc_final: 0.7501 (p90) REVERT: f 145 HIS cc_start: 0.9103 (t-90) cc_final: 0.8163 (t-90) REVERT: f 147 MET cc_start: 0.8532 (mmm) cc_final: 0.7528 (mmm) REVERT: f 148 TYR cc_start: 0.9145 (m-80) cc_final: 0.8831 (m-80) REVERT: f 166 LEU cc_start: 0.9468 (mt) cc_final: 0.9223 (mt) REVERT: f 194 VAL cc_start: 0.9109 (t) cc_final: 0.8837 (m) REVERT: f 211 GLU cc_start: 0.9082 (tt0) cc_final: 0.8586 (tt0) REVERT: f 247 TRP cc_start: 0.8844 (m-10) cc_final: 0.8469 (m100) REVERT: f 252 PHE cc_start: 0.8696 (p90) cc_final: 0.8476 (p90) REVERT: f 267 LYS cc_start: 0.9107 (pttt) cc_final: 0.8907 (pttm) REVERT: f 277 ASP cc_start: 0.9528 (m-30) cc_final: 0.9197 (m-30) REVERT: f 299 MET cc_start: 0.8827 (mmm) cc_final: 0.8385 (mmm) REVERT: f 303 ASN cc_start: 0.8849 (t0) cc_final: 0.8326 (t0) REVERT: f 304 ARG cc_start: 0.9118 (mmm160) cc_final: 0.8383 (mmm160) REVERT: f 318 LYS cc_start: 0.9398 (mttm) cc_final: 0.9136 (mttm) REVERT: f 375 PHE cc_start: 0.9501 (p90) cc_final: 0.9278 (p90) REVERT: f 386 LEU cc_start: 0.9777 (mt) cc_final: 0.9534 (mt) REVERT: f 390 ASP cc_start: 0.9085 (t0) cc_final: 0.8815 (t0) REVERT: f 391 THR cc_start: 0.9339 (p) cc_final: 0.9106 (p) REVERT: f 393 ILE cc_start: 0.9321 (pt) cc_final: 0.8951 (tp) REVERT: f 417 LEU cc_start: 0.9482 (tp) cc_final: 0.9216 (tp) REVERT: f 426 ASP cc_start: 0.9057 (t0) cc_final: 0.8384 (t0) REVERT: f 428 TYR cc_start: 0.9567 (m-80) cc_final: 0.8980 (m-80) REVERT: f 431 GLN cc_start: 0.8611 (pp30) cc_final: 0.8006 (pm20) REVERT: f 442 ASN cc_start: 0.8197 (p0) cc_final: 0.7700 (p0) REVERT: f 462 SER cc_start: 0.9124 (p) cc_final: 0.8794 (t) REVERT: f 463 ASP cc_start: 0.8935 (t0) cc_final: 0.8440 (t70) REVERT: f 510 ASN cc_start: 0.9066 (t0) cc_final: 0.8333 (t0) REVERT: f 513 PHE cc_start: 0.9239 (m-80) cc_final: 0.8822 (m-80) REVERT: g 128 ARG cc_start: 0.8538 (mtt-85) cc_final: 0.7517 (mtt180) REVERT: g 131 TYR cc_start: 0.8500 (p90) cc_final: 0.8184 (p90) REVERT: g 134 ASP cc_start: 0.8556 (t0) cc_final: 0.8213 (t0) REVERT: g 142 GLU cc_start: 0.8002 (tt0) cc_final: 0.6815 (tt0) REVERT: g 145 HIS cc_start: 0.9386 (t-90) cc_final: 0.8799 (t-90) REVERT: g 147 MET cc_start: 0.8956 (tpt) cc_final: 0.8565 (tpp) REVERT: g 148 TYR cc_start: 0.9250 (m-80) cc_final: 0.8237 (m-80) REVERT: g 176 ASP cc_start: 0.7841 (t0) cc_final: 0.7446 (p0) REVERT: g 180 HIS cc_start: 0.8019 (t70) cc_final: 0.7621 (t-90) REVERT: g 199 ASP cc_start: 0.8096 (t0) cc_final: 0.7824 (t0) REVERT: g 207 LYS cc_start: 0.9046 (mttt) cc_final: 0.8759 (mttp) REVERT: g 212 ILE cc_start: 0.9730 (mt) cc_final: 0.9325 (mt) REVERT: g 216 MET cc_start: 0.9693 (mtm) cc_final: 0.9151 (mtm) REVERT: g 245 ASN cc_start: 0.8402 (t0) cc_final: 0.8134 (t0) REVERT: g 249 GLU cc_start: 0.7319 (pm20) cc_final: 0.6599 (pm20) REVERT: g 250 MET cc_start: 0.8812 (mtp) cc_final: 0.8539 (mtm) REVERT: g 253 ARG cc_start: 0.6254 (ttm170) cc_final: 0.5893 (tmm-80) REVERT: g 266 LEU cc_start: 0.9601 (mt) cc_final: 0.9310 (mt) REVERT: g 273 GLU cc_start: 0.9050 (mp0) cc_final: 0.7917 (tp30) REVERT: g 299 MET cc_start: 0.8835 (ttt) cc_final: 0.8564 (ttt) REVERT: g 339 ASP cc_start: 0.9269 (m-30) cc_final: 0.8887 (m-30) REVERT: g 351 LYS cc_start: 0.9400 (mmtt) cc_final: 0.9070 (mmtt) REVERT: g 363 GLU cc_start: 0.9535 (tp30) cc_final: 0.9278 (tp30) REVERT: g 372 GLU cc_start: 0.8761 (pt0) cc_final: 0.8066 (mt-10) REVERT: g 404 PHE cc_start: 0.9253 (m-80) cc_final: 0.8817 (m-80) REVERT: g 426 ASP cc_start: 0.8567 (t0) cc_final: 0.8306 (t0) REVERT: g 449 TYR cc_start: 0.8482 (m-80) cc_final: 0.8110 (m-80) REVERT: g 476 ARG cc_start: 0.8553 (mtp180) cc_final: 0.7338 (mtm180) REVERT: g 481 ILE cc_start: 0.9353 (mp) cc_final: 0.9060 (mp) REVERT: g 500 MET cc_start: 0.9153 (ttm) cc_final: 0.8720 (mmt) REVERT: g 513 PHE cc_start: 0.9464 (m-80) cc_final: 0.9052 (m-80) REVERT: h 112 CYS cc_start: 0.9429 (m) cc_final: 0.8817 (t) REVERT: h 115 GLN cc_start: 0.6432 (mp10) cc_final: 0.6183 (mp10) REVERT: h 117 MET cc_start: 0.8857 (mtp) cc_final: 0.8467 (mtp) REVERT: h 142 GLU cc_start: 0.7718 (tt0) cc_final: 0.7511 (tt0) REVERT: h 151 ASP cc_start: 0.8130 (t0) cc_final: 0.7470 (t70) REVERT: h 153 MET cc_start: 0.9192 (mpp) cc_final: 0.8588 (mpp) REVERT: h 166 LEU cc_start: 0.9442 (mt) cc_final: 0.8926 (mt) REVERT: h 180 HIS cc_start: 0.8607 (t-90) cc_final: 0.8268 (t-90) REVERT: h 194 VAL cc_start: 0.8929 (t) cc_final: 0.8629 (p) REVERT: h 198 ILE cc_start: 0.8891 (tt) cc_final: 0.8278 (tt) REVERT: h 211 GLU cc_start: 0.9195 (tp30) cc_final: 0.8675 (tp30) REVERT: h 215 GLN cc_start: 0.9622 (mt0) cc_final: 0.9198 (mm110) REVERT: h 228 MET cc_start: 0.7513 (ptp) cc_final: 0.7111 (ptp) REVERT: h 247 TRP cc_start: 0.8652 (m-10) cc_final: 0.7826 (m100) REVERT: h 250 MET cc_start: 0.9115 (mtm) cc_final: 0.7745 (ptm) REVERT: h 258 VAL cc_start: 0.9682 (p) cc_final: 0.9333 (p) REVERT: h 345 TRP cc_start: 0.8573 (p-90) cc_final: 0.6248 (p-90) REVERT: h 357 ILE cc_start: 0.9696 (mt) cc_final: 0.9421 (mt) REVERT: h 360 GLU cc_start: 0.9690 (mt-10) cc_final: 0.9296 (mt-10) REVERT: h 363 GLU cc_start: 0.9508 (tp30) cc_final: 0.8998 (tp30) REVERT: h 404 PHE cc_start: 0.6741 (m-80) cc_final: 0.6268 (m-80) REVERT: h 426 ASP cc_start: 0.9246 (t0) cc_final: 0.8652 (t0) REVERT: h 432 ASP cc_start: 0.7844 (t0) cc_final: 0.7382 (t70) REVERT: h 442 ASN cc_start: 0.8581 (t0) cc_final: 0.8247 (t0) REVERT: h 449 TYR cc_start: 0.8208 (p90) cc_final: 0.7912 (p90) REVERT: h 457 THR cc_start: 0.9069 (m) cc_final: 0.8799 (p) REVERT: h 482 ASN cc_start: 0.8896 (t0) cc_final: 0.8546 (t0) REVERT: h 484 PHE cc_start: 0.9138 (m-10) cc_final: 0.8590 (m-80) REVERT: h 504 LEU cc_start: 0.9046 (mt) cc_final: 0.8668 (tt) REVERT: i 71 ASP cc_start: 0.7645 (t0) cc_final: 0.7072 (t0) REVERT: i 90 GLN cc_start: 0.7825 (mm-40) cc_final: 0.7513 (mp10) REVERT: i 103 ILE cc_start: 0.8312 (mt) cc_final: 0.7480 (mt) REVERT: i 110 ASP cc_start: 0.8195 (m-30) cc_final: 0.7742 (m-30) REVERT: i 117 MET cc_start: 0.6376 (ttt) cc_final: 0.5644 (ttt) REVERT: i 145 HIS cc_start: 0.8635 (t-90) cc_final: 0.7178 (t-90) REVERT: i 147 MET cc_start: 0.8386 (mmm) cc_final: 0.7940 (mmm) REVERT: i 148 TYR cc_start: 0.8600 (m-80) cc_final: 0.7645 (m-80) REVERT: i 151 ASP cc_start: 0.8788 (t0) cc_final: 0.8506 (t0) REVERT: i 179 THR cc_start: 0.7775 (p) cc_final: 0.7230 (p) REVERT: i 180 HIS cc_start: 0.8909 (t70) cc_final: 0.8580 (t70) REVERT: i 191 GLN cc_start: 0.9604 (tt0) cc_final: 0.9300 (tp-100) REVERT: i 199 ASP cc_start: 0.7930 (t70) cc_final: 0.7728 (t70) REVERT: i 216 MET cc_start: 0.9494 (mtp) cc_final: 0.9283 (mtp) REVERT: i 224 ILE cc_start: 0.8666 (tp) cc_final: 0.8425 (tp) REVERT: i 228 MET cc_start: 0.7101 (ptm) cc_final: 0.6719 (ptm) REVERT: i 250 MET cc_start: 0.7640 (mtm) cc_final: 0.6613 (ptp) REVERT: i 257 GLN cc_start: 0.8771 (pt0) cc_final: 0.8281 (pt0) REVERT: i 289 GLU cc_start: 0.9285 (mm-30) cc_final: 0.9032 (mm-30) REVERT: i 300 LEU cc_start: 0.9013 (mt) cc_final: 0.8745 (mt) REVERT: i 336 ASP cc_start: 0.7543 (t0) cc_final: 0.7160 (t0) REVERT: i 348 GLU cc_start: 0.8902 (mt-10) cc_final: 0.7969 (mp0) REVERT: i 351 LYS cc_start: 0.9441 (ttmt) cc_final: 0.9202 (ttpt) REVERT: i 359 LYS cc_start: 0.9758 (ptmt) cc_final: 0.9209 (pptt) REVERT: i 390 ASP cc_start: 0.8995 (t0) cc_final: 0.8716 (t0) REVERT: i 426 ASP cc_start: 0.8772 (t0) cc_final: 0.8476 (t0) REVERT: i 444 MET cc_start: 0.8943 (mmm) cc_final: 0.8172 (tpp) REVERT: i 448 ILE cc_start: 0.8604 (mm) cc_final: 0.8167 (mm) REVERT: i 463 ASP cc_start: 0.9278 (t0) cc_final: 0.9016 (t0) REVERT: i 513 PHE cc_start: 0.8862 (m-10) cc_final: 0.8049 (m-10) REVERT: j 68 ILE cc_start: 0.9207 (mp) cc_final: 0.8998 (mp) REVERT: j 105 ASN cc_start: 0.9041 (t0) cc_final: 0.8751 (m-40) REVERT: j 117 MET cc_start: 0.7858 (mmt) cc_final: 0.7474 (mmm) REVERT: j 131 TYR cc_start: 0.8958 (p90) cc_final: 0.8619 (p90) REVERT: j 144 PHE cc_start: 0.8987 (m-80) cc_final: 0.7999 (m-80) REVERT: j 147 MET cc_start: 0.8351 (mtt) cc_final: 0.7619 (mmm) REVERT: j 154 PHE cc_start: 0.8955 (t80) cc_final: 0.8586 (t80) REVERT: j 161 LYS cc_start: 0.8461 (pttp) cc_final: 0.8252 (tptt) REVERT: j 182 PHE cc_start: 0.9381 (m-80) cc_final: 0.8421 (m-80) REVERT: j 209 ASP cc_start: 0.9545 (m-30) cc_final: 0.8936 (m-30) REVERT: j 213 LYS cc_start: 0.9204 (mttt) cc_final: 0.8591 (tppt) REVERT: j 215 GLN cc_start: 0.9222 (mm110) cc_final: 0.8952 (mm110) REVERT: j 216 MET cc_start: 0.8940 (mmm) cc_final: 0.8556 (mmm) REVERT: j 217 GLU cc_start: 0.8682 (mt-10) cc_final: 0.8197 (mt-10) REVERT: j 250 MET cc_start: 0.8434 (mtp) cc_final: 0.7519 (ptm) REVERT: j 305 GLU cc_start: 0.9373 (tt0) cc_final: 0.8745 (tt0) REVERT: j 309 TRP cc_start: 0.9374 (m100) cc_final: 0.9104 (m100) REVERT: j 336 ASP cc_start: 0.7474 (t0) cc_final: 0.6828 (t70) REVERT: j 351 LYS cc_start: 0.9362 (mttp) cc_final: 0.9125 (mttt) REVERT: j 395 TYR cc_start: 0.7325 (t80) cc_final: 0.6876 (t80) REVERT: j 404 PHE cc_start: 0.7994 (m-80) cc_final: 0.7193 (m-80) REVERT: j 420 LYS cc_start: 0.8801 (tptp) cc_final: 0.8264 (tptp) REVERT: j 459 LEU cc_start: 0.8057 (mt) cc_final: 0.7829 (mt) REVERT: j 479 ILE cc_start: 0.8275 (pt) cc_final: 0.7850 (mm) REVERT: k 105 ASN cc_start: 0.8531 (m110) cc_final: 0.8211 (m110) REVERT: k 110 ASP cc_start: 0.8781 (t0) cc_final: 0.8192 (t0) REVERT: k 115 GLN cc_start: 0.9294 (tp40) cc_final: 0.9037 (tm-30) REVERT: k 118 ASN cc_start: 0.9371 (p0) cc_final: 0.8832 (p0) REVERT: k 119 SER cc_start: 0.9586 (p) cc_final: 0.9077 (m) REVERT: k 124 VAL cc_start: 0.9582 (p) cc_final: 0.9324 (p) REVERT: k 125 PHE cc_start: 0.8108 (m-80) cc_final: 0.7793 (m-80) REVERT: k 142 GLU cc_start: 0.8893 (pm20) cc_final: 0.8497 (pm20) REVERT: k 153 MET cc_start: 0.8329 (mmp) cc_final: 0.8077 (mmm) REVERT: k 183 GLN cc_start: 0.8801 (mt0) cc_final: 0.8580 (mp10) REVERT: k 189 TYR cc_start: 0.8278 (m-80) cc_final: 0.6480 (m-80) REVERT: k 199 ASP cc_start: 0.6960 (t0) cc_final: 0.6474 (t0) REVERT: k 212 ILE cc_start: 0.9783 (mt) cc_final: 0.9534 (mt) REVERT: k 265 GLN cc_start: 0.8881 (pt0) cc_final: 0.8586 (pt0) REVERT: k 272 ILE cc_start: 0.8688 (tt) cc_final: 0.8375 (tt) REVERT: k 274 LEU cc_start: 0.9603 (tp) cc_final: 0.9338 (tp) REVERT: k 276 GLN cc_start: 0.9549 (mm-40) cc_final: 0.9111 (mm-40) REVERT: k 282 HIS cc_start: 0.8807 (t-170) cc_final: 0.8593 (t-170) REVERT: k 294 LEU cc_start: 0.9528 (mp) cc_final: 0.9325 (mp) REVERT: k 297 GLU cc_start: 0.9239 (mm-30) cc_final: 0.8478 (mm-30) REVERT: k 311 ASN cc_start: 0.9681 (m-40) cc_final: 0.9171 (t0) REVERT: k 315 GLN cc_start: 0.6885 (mt0) cc_final: 0.6466 (mt0) REVERT: k 324 THR cc_start: 0.9168 (m) cc_final: 0.8778 (p) REVERT: k 335 GLN cc_start: 0.8886 (mm-40) cc_final: 0.8404 (mm-40) REVERT: k 336 ASP cc_start: 0.8638 (t0) cc_final: 0.8330 (t0) REVERT: k 351 LYS cc_start: 0.9405 (mttm) cc_final: 0.8877 (mttm) REVERT: k 354 LEU cc_start: 0.9511 (mt) cc_final: 0.9210 (mt) REVERT: k 359 LYS cc_start: 0.9552 (tttt) cc_final: 0.9287 (tttt) REVERT: k 384 ASN cc_start: 0.9385 (m-40) cc_final: 0.9122 (m-40) REVERT: k 390 ASP cc_start: 0.9332 (t0) cc_final: 0.8924 (t70) REVERT: k 391 THR cc_start: 0.9473 (p) cc_final: 0.9075 (t) REVERT: k 398 GLN cc_start: 0.9022 (tp40) cc_final: 0.8649 (tp-100) REVERT: k 400 LEU cc_start: 0.9302 (mt) cc_final: 0.9076 (mt) REVERT: k 404 PHE cc_start: 0.8976 (m-80) cc_final: 0.8673 (m-80) REVERT: k 421 TYR cc_start: 0.8786 (m-10) cc_final: 0.8509 (m-10) REVERT: k 442 ASN cc_start: 0.8667 (t0) cc_final: 0.8170 (t0) REVERT: k 443 GLU cc_start: 0.9048 (tp30) cc_final: 0.8730 (tp30) REVERT: k 444 MET cc_start: 0.8726 (mtp) cc_final: 0.8208 (mtp) REVERT: k 449 TYR cc_start: 0.9159 (m-80) cc_final: 0.7834 (m-80) REVERT: k 471 MET cc_start: 0.7409 (tmm) cc_final: 0.7091 (tmm) REVERT: k 473 PHE cc_start: 0.7876 (m-80) cc_final: 0.6671 (m-80) REVERT: k 481 ILE cc_start: 0.8904 (mp) cc_final: 0.8565 (mp) REVERT: k 482 ASN cc_start: 0.9486 (t0) cc_final: 0.8858 (t0) REVERT: k 490 GLN cc_start: 0.9235 (mp10) cc_final: 0.8687 (mm-40) REVERT: k 513 PHE cc_start: 0.8872 (m-80) cc_final: 0.8440 (m-80) REVERT: k 518 VAL cc_start: 0.9668 (m) cc_final: 0.9456 (m) REVERT: l 72 HIS cc_start: 0.7803 (m-70) cc_final: 0.7348 (m90) REVERT: l 96 MET cc_start: 0.9363 (ppp) cc_final: 0.9034 (ppp) REVERT: l 98 MET cc_start: 0.7576 (ppp) cc_final: 0.7064 (ppp) REVERT: l 105 ASN cc_start: 0.9401 (t0) cc_final: 0.8977 (p0) REVERT: l 144 PHE cc_start: 0.9340 (m-80) cc_final: 0.7962 (m-80) REVERT: l 145 HIS cc_start: 0.9317 (t-170) cc_final: 0.7632 (t70) REVERT: l 147 MET cc_start: 0.8651 (mmp) cc_final: 0.8021 (mmp) REVERT: l 148 TYR cc_start: 0.8588 (m-10) cc_final: 0.7986 (m-10) REVERT: l 151 ASP cc_start: 0.9186 (t0) cc_final: 0.8717 (t0) REVERT: l 198 ILE cc_start: 0.9481 (tp) cc_final: 0.9184 (tp) REVERT: l 199 ASP cc_start: 0.8985 (t0) cc_final: 0.8095 (t0) REVERT: l 211 GLU cc_start: 0.9051 (tp30) cc_final: 0.8805 (tp30) REVERT: l 226 GLU cc_start: 0.7739 (tt0) cc_final: 0.7172 (tt0) REVERT: l 245 ASN cc_start: 0.6238 (p0) cc_final: 0.5726 (p0) REVERT: l 260 GLU cc_start: 0.7768 (tp30) cc_final: 0.7345 (tp30) REVERT: l 267 LYS cc_start: 0.8508 (ttpt) cc_final: 0.8069 (ttpt) REVERT: l 297 GLU cc_start: 0.9572 (tp30) cc_final: 0.8601 (tp30) REVERT: l 309 TRP cc_start: 0.8972 (m100) cc_final: 0.7885 (m100) REVERT: l 334 PHE cc_start: 0.9425 (m-80) cc_final: 0.9013 (m-80) REVERT: l 350 PHE cc_start: 0.9557 (m-80) cc_final: 0.9130 (m-80) REVERT: l 363 GLU cc_start: 0.9324 (tp30) cc_final: 0.8579 (tp30) REVERT: l 366 ARG cc_start: 0.9185 (ttt-90) cc_final: 0.8317 (tmm-80) REVERT: l 381 ASN cc_start: 0.9328 (m-40) cc_final: 0.8585 (p0) REVERT: l 386 LEU cc_start: 0.9603 (mt) cc_final: 0.9198 (mt) REVERT: l 406 THR cc_start: 0.9348 (t) cc_final: 0.8697 (t) REVERT: l 432 ASP cc_start: 0.7737 (t0) cc_final: 0.5424 (t0) REVERT: l 434 PHE cc_start: 0.8374 (p90) cc_final: 0.7974 (p90) REVERT: l 448 ILE cc_start: 0.9644 (mt) cc_final: 0.9363 (mt) REVERT: l 481 ILE cc_start: 0.9117 (pt) cc_final: 0.8339 (pt) REVERT: l 500 MET cc_start: 0.8924 (ptp) cc_final: 0.8620 (mtp) REVERT: l 510 ASN cc_start: 0.8964 (t0) cc_final: 0.8512 (t0) REVERT: l 512 TYR cc_start: 0.9331 (m-80) cc_final: 0.8673 (m-10) REVERT: l 513 PHE cc_start: 0.9582 (m-80) cc_final: 0.9027 (m-80) REVERT: l 514 ARG cc_start: 0.9291 (tpp80) cc_final: 0.8915 (tpp80) REVERT: m 72 HIS cc_start: 0.6737 (m170) cc_final: 0.5982 (m170) REVERT: m 78 ASN cc_start: 0.8392 (p0) cc_final: 0.7696 (p0) REVERT: m 79 ILE cc_start: 0.9463 (mt) cc_final: 0.9142 (mt) REVERT: m 96 MET cc_start: 0.8258 (ppp) cc_final: 0.8015 (ppp) REVERT: m 110 ASP cc_start: 0.8452 (m-30) cc_final: 0.7946 (m-30) REVERT: m 123 GLN cc_start: 0.9010 (pt0) cc_final: 0.8737 (pt0) REVERT: m 131 TYR cc_start: 0.9142 (p90) cc_final: 0.8655 (p90) REVERT: m 145 HIS cc_start: 0.8730 (t-90) cc_final: 0.7698 (t-90) REVERT: m 161 LYS cc_start: 0.9032 (tmtt) cc_final: 0.8762 (tmtt) REVERT: m 163 PHE cc_start: 0.8958 (m-80) cc_final: 0.8463 (m-80) REVERT: m 216 MET cc_start: 0.9242 (mtp) cc_final: 0.8908 (mtp) REVERT: m 272 ILE cc_start: 0.7904 (mt) cc_final: 0.7180 (mt) REVERT: m 276 GLN cc_start: 0.9019 (pt0) cc_final: 0.8722 (pp30) REVERT: m 289 GLU cc_start: 0.9294 (mm-30) cc_final: 0.8815 (mp0) REVERT: m 309 TRP cc_start: 0.9247 (m100) cc_final: 0.8723 (m100) REVERT: m 311 ASN cc_start: 0.9487 (m-40) cc_final: 0.9034 (t0) REVERT: m 332 PHE cc_start: 0.9080 (t80) cc_final: 0.8873 (t80) REVERT: m 390 ASP cc_start: 0.8873 (t0) cc_final: 0.8525 (t70) REVERT: m 400 LEU cc_start: 0.9078 (mt) cc_final: 0.8480 (mt) REVERT: m 421 TYR cc_start: 0.8688 (m-10) cc_final: 0.8248 (m-80) REVERT: m 426 ASP cc_start: 0.8870 (t0) cc_final: 0.8523 (t0) REVERT: m 432 ASP cc_start: 0.7674 (t0) cc_final: 0.6912 (t0) REVERT: m 463 ASP cc_start: 0.9201 (t0) cc_final: 0.8937 (t0) REVERT: m 468 GLN cc_start: 0.9013 (mm-40) cc_final: 0.8695 (mm-40) REVERT: m 473 PHE cc_start: 0.8770 (m-80) cc_final: 0.8133 (m-80) REVERT: m 484 PHE cc_start: 0.8573 (m-80) cc_final: 0.7382 (m-80) REVERT: n 145 HIS cc_start: 0.7706 (t-90) cc_final: 0.6292 (t-90) REVERT: n 148 TYR cc_start: 0.8132 (m-10) cc_final: 0.5976 (m-10) REVERT: n 153 MET cc_start: 0.8792 (mpp) cc_final: 0.8363 (mpp) REVERT: n 154 PHE cc_start: 0.9028 (t80) cc_final: 0.8388 (t80) REVERT: n 161 LYS cc_start: 0.8560 (tmmt) cc_final: 0.8244 (tmtt) REVERT: n 163 PHE cc_start: 0.8873 (m-80) cc_final: 0.8438 (m-80) REVERT: n 166 LEU cc_start: 0.9262 (mt) cc_final: 0.8903 (mt) REVERT: n 172 THR cc_start: 0.9500 (p) cc_final: 0.8183 (t) REVERT: n 190 LEU cc_start: 0.9729 (mm) cc_final: 0.9370 (mm) REVERT: n 191 GLN cc_start: 0.8717 (tt0) cc_final: 0.8173 (tp-100) REVERT: n 250 MET cc_start: 0.8236 (pmm) cc_final: 0.7984 (pmm) REVERT: n 253 ARG cc_start: 0.8364 (ttt-90) cc_final: 0.7039 (ttt-90) REVERT: n 255 ASP cc_start: 0.8706 (p0) cc_final: 0.8424 (p0) REVERT: n 319 SER cc_start: 0.9781 (t) cc_final: 0.9563 (m) REVERT: n 333 ASP cc_start: 0.8604 (t0) cc_final: 0.7763 (t0) REVERT: n 336 ASP cc_start: 0.8976 (t0) cc_final: 0.8501 (t0) REVERT: n 345 TRP cc_start: 0.8949 (t-100) cc_final: 0.8564 (t-100) REVERT: n 350 PHE cc_start: 0.9130 (m-10) cc_final: 0.8657 (m-80) REVERT: n 353 LEU cc_start: 0.9660 (tp) cc_final: 0.9447 (tp) REVERT: n 356 GLN cc_start: 0.9471 (mm110) cc_final: 0.8959 (mm110) REVERT: n 359 LYS cc_start: 0.9730 (tttp) cc_final: 0.9285 (tttp) REVERT: n 360 GLU cc_start: 0.9574 (mm-30) cc_final: 0.8810 (mm-30) REVERT: n 398 GLN cc_start: 0.9427 (tm-30) cc_final: 0.8703 (tm-30) REVERT: n 439 LYS cc_start: 0.9248 (ptpt) cc_final: 0.8906 (mtpt) REVERT: n 442 ASN cc_start: 0.9175 (t0) cc_final: 0.8954 (t0) REVERT: n 443 GLU cc_start: 0.8731 (pp20) cc_final: 0.8461 (tm-30) REVERT: n 453 TYR cc_start: 0.8248 (t80) cc_final: 0.7734 (t80) REVERT: n 513 PHE cc_start: 0.9361 (m-80) cc_final: 0.8906 (m-80) REVERT: o 184 GLU cc_start: 0.8760 (tp30) cc_final: 0.8058 (tp30) REVERT: o 187 THR cc_start: 0.8612 (m) cc_final: 0.8329 (m) REVERT: o 198 ILE cc_start: 0.9659 (tp) cc_final: 0.8881 (tp) REVERT: o 211 GLU cc_start: 0.9578 (tp30) cc_final: 0.9257 (tt0) REVERT: o 212 ILE cc_start: 0.9666 (mt) cc_final: 0.9358 (mt) REVERT: o 213 LYS cc_start: 0.9600 (ptpt) cc_final: 0.9399 (ptmt) REVERT: o 216 MET cc_start: 0.9575 (mtp) cc_final: 0.9343 (mtp) REVERT: o 272 ILE cc_start: 0.8148 (mm) cc_final: 0.7759 (mm) REVERT: o 309 TRP cc_start: 0.8696 (m100) cc_final: 0.8252 (m100) REVERT: o 322 THR cc_start: 0.8370 (p) cc_final: 0.7955 (p) REVERT: o 334 PHE cc_start: 0.9178 (m-80) cc_final: 0.8685 (m-80) REVERT: o 348 GLU cc_start: 0.8976 (mt-10) cc_final: 0.8745 (mt-10) REVERT: o 350 PHE cc_start: 0.7826 (p90) cc_final: 0.7010 (p90) REVERT: o 351 LYS cc_start: 0.9161 (mttm) cc_final: 0.8563 (mttm) REVERT: o 354 LEU cc_start: 0.9259 (tp) cc_final: 0.8980 (tp) REVERT: o 381 ASN cc_start: 0.9450 (m110) cc_final: 0.9223 (m-40) REVERT: o 400 LEU cc_start: 0.8406 (mt) cc_final: 0.7930 (mt) REVERT: o 404 PHE cc_start: 0.7568 (m-80) cc_final: 0.7128 (m-80) REVERT: o 426 ASP cc_start: 0.9448 (t0) cc_final: 0.9187 (t0) REVERT: o 428 TYR cc_start: 0.9405 (m-80) cc_final: 0.9017 (m-80) REVERT: o 450 TYR cc_start: 0.8336 (t80) cc_final: 0.7749 (t80) REVERT: o 453 TYR cc_start: 0.8596 (t80) cc_final: 0.8026 (t80) REVERT: o 473 PHE cc_start: 0.8625 (p90) cc_final: 0.7974 (p90) REVERT: o 490 GLN cc_start: 0.8563 (mp-120) cc_final: 0.8323 (mm-40) REVERT: o 500 MET cc_start: 0.9200 (mmp) cc_final: 0.8528 (mmp) REVERT: o 510 ASN cc_start: 0.9162 (t0) cc_final: 0.7945 (t0) REVERT: o 513 PHE cc_start: 0.9395 (m-80) cc_final: 0.8605 (m-80) REVERT: p 68 ILE cc_start: 0.8661 (pt) cc_final: 0.8349 (mp) REVERT: p 71 ASP cc_start: 0.8323 (t0) cc_final: 0.7819 (m-30) REVERT: p 74 TYR cc_start: 0.8515 (m-80) cc_final: 0.7461 (m-10) REVERT: p 78 ASN cc_start: 0.8705 (m-40) cc_final: 0.8140 (m-40) REVERT: p 96 MET cc_start: 0.8143 (mtm) cc_final: 0.7683 (mtm) REVERT: p 101 ARG cc_start: 0.8472 (mmm-85) cc_final: 0.7587 (mmm-85) REVERT: p 109 PHE cc_start: 0.8225 (m-80) cc_final: 0.7872 (m-80) REVERT: p 117 MET cc_start: 0.9049 (mmp) cc_final: 0.8717 (mmm) REVERT: p 151 ASP cc_start: 0.7785 (t0) cc_final: 0.7449 (t0) REVERT: p 153 MET cc_start: 0.9403 (mtp) cc_final: 0.9068 (mtp) REVERT: p 157 GLN cc_start: 0.8969 (tp40) cc_final: 0.8530 (tp-100) REVERT: p 161 LYS cc_start: 0.9265 (pttt) cc_final: 0.8963 (pttp) REVERT: p 176 ASP cc_start: 0.8877 (t70) cc_final: 0.8652 (t0) REVERT: p 199 ASP cc_start: 0.6665 (t0) cc_final: 0.6313 (t0) REVERT: p 276 GLN cc_start: 0.9336 (mt0) cc_final: 0.8940 (mt0) REVERT: p 278 LEU cc_start: 0.9611 (tp) cc_final: 0.9372 (tp) REVERT: p 284 MET cc_start: 0.7577 (mpp) cc_final: 0.7164 (mpp) REVERT: p 289 GLU cc_start: 0.9221 (mm-30) cc_final: 0.9019 (mp0) REVERT: p 304 ARG cc_start: 0.9095 (mmm160) cc_final: 0.8678 (mmm160) REVERT: p 321 MET cc_start: 0.8565 (mmm) cc_final: 0.8269 (mmm) REVERT: p 366 ARG cc_start: 0.9275 (ttt180) cc_final: 0.9074 (ttt-90) REVERT: p 391 THR cc_start: 0.9186 (p) cc_final: 0.8454 (t) REVERT: p 412 VAL cc_start: 0.9591 (m) cc_final: 0.9078 (m) REVERT: p 426 ASP cc_start: 0.9545 (t0) cc_final: 0.9301 (t0) REVERT: p 459 LEU cc_start: 0.8592 (mt) cc_final: 0.8339 (mt) REVERT: p 465 LYS cc_start: 0.9157 (mppt) cc_final: 0.8815 (mmtm) REVERT: p 484 PHE cc_start: 0.8494 (m-10) cc_final: 0.8227 (m-10) REVERT: p 513 PHE cc_start: 0.9470 (m-10) cc_final: 0.9191 (m-10) REVERT: q 98 MET cc_start: 0.7797 (ptt) cc_final: 0.7333 (ptt) REVERT: q 101 ARG cc_start: 0.7384 (tpp-160) cc_final: 0.6167 (tpp80) REVERT: q 112 CYS cc_start: 0.8791 (p) cc_final: 0.8589 (p) REVERT: q 115 GLN cc_start: 0.9336 (mm-40) cc_final: 0.8900 (mm-40) REVERT: q 123 GLN cc_start: 0.9037 (pt0) cc_final: 0.8433 (pt0) REVERT: q 147 MET cc_start: 0.8748 (mmp) cc_final: 0.8046 (mmp) REVERT: q 151 ASP cc_start: 0.9010 (t0) cc_final: 0.8801 (t0) REVERT: q 153 MET cc_start: 0.8541 (mtp) cc_final: 0.7536 (ttm) REVERT: q 163 PHE cc_start: 0.8053 (m-10) cc_final: 0.7765 (m-10) REVERT: q 172 THR cc_start: 0.8979 (p) cc_final: 0.8216 (p) REVERT: q 176 ASP cc_start: 0.8914 (t0) cc_final: 0.8371 (t70) REVERT: q 178 TYR cc_start: 0.8140 (m-80) cc_final: 0.6979 (m-10) REVERT: q 191 GLN cc_start: 0.9063 (tt0) cc_final: 0.8477 (tm-30) REVERT: q 217 GLU cc_start: 0.9413 (pp20) cc_final: 0.9025 (pp20) REVERT: q 224 ILE cc_start: 0.8974 (tt) cc_final: 0.8734 (tt) REVERT: q 228 MET cc_start: 0.8739 (ptp) cc_final: 0.8452 (ptp) REVERT: q 264 ARG cc_start: 0.8413 (mmm-85) cc_final: 0.8104 (mmm-85) REVERT: q 284 MET cc_start: 0.5644 (mpp) cc_final: 0.5434 (mpp) REVERT: q 299 MET cc_start: 0.9043 (mmm) cc_final: 0.8276 (mmm) REVERT: q 328 LYS cc_start: 0.9505 (tptm) cc_final: 0.9096 (tppt) REVERT: q 359 LYS cc_start: 0.9164 (ttpt) cc_final: 0.8823 (ptmt) REVERT: q 406 THR cc_start: 0.9494 (p) cc_final: 0.9220 (t) REVERT: q 421 TYR cc_start: 0.9367 (m-10) cc_final: 0.9072 (m-80) REVERT: q 426 ASP cc_start: 0.8628 (t0) cc_final: 0.8171 (t0) REVERT: q 430 LYS cc_start: 0.9550 (mmtm) cc_final: 0.9229 (mmmt) REVERT: q 453 TYR cc_start: 0.8566 (t80) cc_final: 0.8346 (t80) REVERT: q 471 MET cc_start: 0.8517 (tpp) cc_final: 0.8189 (tpp) REVERT: q 481 ILE cc_start: 0.9517 (pt) cc_final: 0.9303 (pt) REVERT: q 510 ASN cc_start: 0.9508 (t0) cc_final: 0.9084 (t0) REVERT: q 513 PHE cc_start: 0.9607 (m-10) cc_final: 0.9139 (m-10) REVERT: q 515 ARG cc_start: 0.8536 (ptt180) cc_final: 0.7645 (ttp-170) REVERT: r 68 ILE cc_start: 0.8492 (pt) cc_final: 0.7647 (mm) REVERT: r 101 ARG cc_start: 0.8778 (mtt-85) cc_final: 0.8266 (mmt90) REVERT: r 134 ASP cc_start: 0.8721 (t0) cc_final: 0.8330 (t0) REVERT: r 145 HIS cc_start: 0.9362 (t-90) cc_final: 0.8816 (t-90) REVERT: r 151 ASP cc_start: 0.9192 (t0) cc_final: 0.8519 (t0) REVERT: r 176 ASP cc_start: 0.8976 (m-30) cc_final: 0.8493 (m-30) REVERT: r 185 THR cc_start: 0.8860 (p) cc_final: 0.8040 (p) REVERT: r 189 TYR cc_start: 0.8468 (m-80) cc_final: 0.7983 (m-80) REVERT: r 191 GLN cc_start: 0.9163 (tt0) cc_final: 0.8908 (tt0) REVERT: r 194 VAL cc_start: 0.9329 (t) cc_final: 0.9055 (p) REVERT: r 212 ILE cc_start: 0.9679 (mt) cc_final: 0.9459 (mt) REVERT: r 213 LYS cc_start: 0.8713 (mtpt) cc_final: 0.8388 (mtpt) REVERT: r 216 MET cc_start: 0.9077 (mtp) cc_final: 0.8570 (mtp) REVERT: r 240 ASN cc_start: 0.8023 (t0) cc_final: 0.7652 (t0) REVERT: r 266 LEU cc_start: 0.9448 (mt) cc_final: 0.9211 (mt) REVERT: r 293 ILE cc_start: 0.9540 (mm) cc_final: 0.9235 (mm) REVERT: r 297 GLU cc_start: 0.9125 (mm-30) cc_final: 0.8314 (mm-30) REVERT: r 300 LEU cc_start: 0.9340 (mt) cc_final: 0.9001 (mt) REVERT: r 309 TRP cc_start: 0.9242 (m100) cc_final: 0.7979 (m100) REVERT: r 321 MET cc_start: 0.9269 (ptp) cc_final: 0.8940 (ptt) REVERT: r 336 ASP cc_start: 0.9087 (t0) cc_final: 0.8819 (t0) REVERT: r 345 TRP cc_start: 0.8640 (p-90) cc_final: 0.8332 (p-90) REVERT: r 350 PHE cc_start: 0.9325 (m-10) cc_final: 0.9074 (m-80) REVERT: r 390 ASP cc_start: 0.8016 (t0) cc_final: 0.7433 (t0) REVERT: r 404 PHE cc_start: 0.8961 (m-80) cc_final: 0.8164 (m-80) REVERT: r 407 ASP cc_start: 0.7859 (t0) cc_final: 0.6463 (t70) REVERT: r 410 LYS cc_start: 0.9098 (mptt) cc_final: 0.8517 (mptt) REVERT: r 420 LYS cc_start: 0.9292 (ttmm) cc_final: 0.8994 (ttmm) REVERT: r 515 ARG cc_start: 0.8561 (ttp80) cc_final: 0.8039 (ttp80) REVERT: s 90 GLN cc_start: 0.9293 (mm-40) cc_final: 0.8858 (mp10) REVERT: s 98 MET cc_start: 0.7074 (ppp) cc_final: 0.5155 (tmm) REVERT: s 106 LEU cc_start: 0.9501 (mt) cc_final: 0.9213 (mp) REVERT: s 125 PHE cc_start: 0.8659 (m-80) cc_final: 0.7763 (m-80) REVERT: s 134 ASP cc_start: 0.8962 (t0) cc_final: 0.8718 (t0) REVERT: s 136 VAL cc_start: 0.9590 (t) cc_final: 0.9352 (m) REVERT: s 145 HIS cc_start: 0.9065 (t-90) cc_final: 0.8429 (t-90) REVERT: s 147 MET cc_start: 0.9073 (ttt) cc_final: 0.8644 (mmm) REVERT: s 151 ASP cc_start: 0.8372 (t0) cc_final: 0.8050 (t0) REVERT: s 153 MET cc_start: 0.9691 (mmt) cc_final: 0.9332 (mmm) REVERT: s 157 GLN cc_start: 0.8817 (tp-100) cc_final: 0.8488 (tp40) REVERT: s 189 TYR cc_start: 0.8309 (m-80) cc_final: 0.7546 (m-80) REVERT: s 212 ILE cc_start: 0.9775 (mt) cc_final: 0.9421 (mt) REVERT: s 213 LYS cc_start: 0.8971 (mtmt) cc_final: 0.8645 (mttm) REVERT: s 216 MET cc_start: 0.9571 (mtt) cc_final: 0.9366 (mtt) REVERT: s 235 LEU cc_start: 0.8479 (tp) cc_final: 0.8187 (pp) REVERT: s 265 GLN cc_start: 0.9371 (pt0) cc_final: 0.8780 (pt0) REVERT: s 267 LYS cc_start: 0.8152 (ttpt) cc_final: 0.7896 (ttmt) REVERT: s 277 ASP cc_start: 0.9540 (m-30) cc_final: 0.9277 (m-30) REVERT: s 297 GLU cc_start: 0.9637 (tp30) cc_final: 0.9374 (tp30) REVERT: s 299 MET cc_start: 0.9096 (mtm) cc_final: 0.8465 (ptp) REVERT: s 304 ARG cc_start: 0.8910 (tpp80) cc_final: 0.8380 (mmm160) REVERT: s 309 TRP cc_start: 0.8781 (m100) cc_final: 0.8483 (m100) REVERT: s 311 ASN cc_start: 0.9481 (m-40) cc_final: 0.8840 (t0) REVERT: s 321 MET cc_start: 0.8859 (mmm) cc_final: 0.8330 (mmm) REVERT: s 322 THR cc_start: 0.8984 (p) cc_final: 0.8641 (p) REVERT: s 334 PHE cc_start: 0.9292 (m-80) cc_final: 0.8541 (m-80) REVERT: s 350 PHE cc_start: 0.9419 (m-80) cc_final: 0.9080 (m-10) REVERT: s 367 GLN cc_start: 0.9306 (mt0) cc_final: 0.8187 (mm110) REVERT: s 404 PHE cc_start: 0.8692 (m-80) cc_final: 0.7975 (m-80) REVERT: s 413 PHE cc_start: 0.9097 (t80) cc_final: 0.8842 (t80) REVERT: s 434 PHE cc_start: 0.9232 (p90) cc_final: 0.8956 (p90) REVERT: s 436 VAL cc_start: 0.9734 (m) cc_final: 0.9478 (m) REVERT: s 481 ILE cc_start: 0.9115 (mm) cc_final: 0.8711 (mm) REVERT: s 497 GLN cc_start: 0.7779 (mt0) cc_final: 0.7274 (mp10) REVERT: s 500 MET cc_start: 0.8955 (ttm) cc_final: 0.8739 (mmm) REVERT: s 510 ASN cc_start: 0.9176 (t0) cc_final: 0.8944 (t0) REVERT: s 514 ARG cc_start: 0.8351 (mtp85) cc_final: 0.7435 (tpp80) REVERT: t 110 ASP cc_start: 0.7812 (m-30) cc_final: 0.7322 (t0) REVERT: t 142 GLU cc_start: 0.6529 (tt0) cc_final: 0.6198 (tt0) REVERT: t 144 PHE cc_start: 0.8152 (m-10) cc_final: 0.7875 (m-10) REVERT: t 147 MET cc_start: 0.8022 (mmt) cc_final: 0.7529 (mmt) REVERT: t 153 MET cc_start: 0.9294 (mtp) cc_final: 0.8826 (mtm) REVERT: t 154 PHE cc_start: 0.9089 (t80) cc_final: 0.8774 (t80) REVERT: t 157 GLN cc_start: 0.9085 (tp-100) cc_final: 0.8874 (tm-30) REVERT: t 166 LEU cc_start: 0.9163 (mt) cc_final: 0.8873 (mt) REVERT: t 176 ASP cc_start: 0.8803 (m-30) cc_final: 0.8423 (m-30) REVERT: t 183 GLN cc_start: 0.9075 (tp-100) cc_final: 0.8192 (pp30) REVERT: t 221 LEU cc_start: 0.9758 (mm) cc_final: 0.9551 (mm) REVERT: t 264 ARG cc_start: 0.7825 (mtm-85) cc_final: 0.7328 (ttm170) REVERT: t 298 ILE cc_start: 0.9491 (mm) cc_final: 0.9288 (mm) REVERT: t 299 MET cc_start: 0.8783 (mtp) cc_final: 0.8476 (mtt) REVERT: t 305 GLU cc_start: 0.9006 (mt-10) cc_final: 0.8223 (mt-10) REVERT: t 318 LYS cc_start: 0.9384 (mtpp) cc_final: 0.8635 (mtpp) REVERT: t 348 GLU cc_start: 0.8965 (pt0) cc_final: 0.8155 (pt0) REVERT: t 350 PHE cc_start: 0.9621 (m-10) cc_final: 0.9037 (m-10) REVERT: t 356 GLN cc_start: 0.9268 (tp40) cc_final: 0.8274 (tp-100) REVERT: t 359 LYS cc_start: 0.9590 (tttp) cc_final: 0.9303 (tttp) REVERT: t 360 GLU cc_start: 0.9520 (mt-10) cc_final: 0.9143 (mt-10) REVERT: t 363 GLU cc_start: 0.9116 (tp30) cc_final: 0.8888 (tp30) REVERT: t 364 ILE cc_start: 0.9555 (mt) cc_final: 0.9303 (mt) REVERT: t 375 PHE cc_start: 0.9533 (p90) cc_final: 0.9157 (p90) REVERT: t 381 ASN cc_start: 0.8953 (m-40) cc_final: 0.8386 (p0) REVERT: t 385 VAL cc_start: 0.9716 (t) cc_final: 0.9333 (p) REVERT: t 400 LEU cc_start: 0.9533 (mt) cc_final: 0.9139 (mt) REVERT: t 413 PHE cc_start: 0.8883 (t80) cc_final: 0.8428 (t80) REVERT: t 453 TYR cc_start: 0.6780 (t80) cc_final: 0.6418 (t80) REVERT: t 471 MET cc_start: 0.7970 (mmp) cc_final: 0.6953 (mmp) REVERT: t 481 ILE cc_start: 0.9326 (mt) cc_final: 0.9059 (mm) REVERT: t 484 PHE cc_start: 0.7111 (m-80) cc_final: 0.6356 (m-80) REVERT: t 510 ASN cc_start: 0.9348 (t0) cc_final: 0.8714 (p0) REVERT: u 71 ASP cc_start: 0.7484 (t0) cc_final: 0.6704 (t0) REVERT: u 75 ASN cc_start: 0.8784 (t0) cc_final: 0.8534 (t0) REVERT: u 105 ASN cc_start: 0.8445 (m-40) cc_final: 0.7763 (t0) REVERT: u 147 MET cc_start: 0.8934 (mtp) cc_final: 0.8305 (mtp) REVERT: u 157 GLN cc_start: 0.8504 (tm-30) cc_final: 0.7789 (tm-30) REVERT: u 161 LYS cc_start: 0.9672 (mtmm) cc_final: 0.9303 (mtmm) REVERT: u 172 THR cc_start: 0.9362 (p) cc_final: 0.8954 (t) REVERT: u 204 ASP cc_start: 0.8754 (t0) cc_final: 0.8506 (t0) REVERT: u 214 LYS cc_start: 0.9263 (mttt) cc_final: 0.8899 (ptmt) REVERT: u 226 GLU cc_start: 0.8688 (tm-30) cc_final: 0.8070 (tm-30) REVERT: u 240 ASN cc_start: 0.8148 (m110) cc_final: 0.7712 (m110) REVERT: u 250 MET cc_start: 0.7853 (mmm) cc_final: 0.7610 (mmm) REVERT: u 253 ARG cc_start: 0.8286 (ptt90) cc_final: 0.7878 (tpt170) REVERT: u 257 GLN cc_start: 0.8788 (mt0) cc_final: 0.8472 (mt0) REVERT: u 309 TRP cc_start: 0.9035 (m100) cc_final: 0.7333 (m100) REVERT: u 311 ASN cc_start: 0.9426 (m-40) cc_final: 0.8950 (m-40) REVERT: u 356 GLN cc_start: 0.9469 (tp40) cc_final: 0.9088 (tp-100) REVERT: u 391 THR cc_start: 0.8829 (p) cc_final: 0.8543 (p) REVERT: u 404 PHE cc_start: 0.8154 (m-80) cc_final: 0.7346 (m-80) REVERT: u 426 ASP cc_start: 0.9508 (t0) cc_final: 0.9094 (t0) REVERT: u 428 TYR cc_start: 0.8908 (m-10) cc_final: 0.8695 (m-10) REVERT: u 433 TYR cc_start: 0.8491 (p90) cc_final: 0.8197 (p90) REVERT: u 459 LEU cc_start: 0.5128 (tp) cc_final: 0.4924 (tp) REVERT: u 482 ASN cc_start: 0.9154 (t0) cc_final: 0.8648 (t0) REVERT: u 487 SER cc_start: 0.8941 (p) cc_final: 0.8543 (p) REVERT: u 515 ARG cc_start: 0.7239 (ttt180) cc_final: 0.5959 (ttt180) REVERT: v 68 ILE cc_start: 0.9366 (tt) cc_final: 0.9112 (tp) REVERT: v 105 ASN cc_start: 0.8183 (m110) cc_final: 0.7964 (m110) REVERT: v 142 GLU cc_start: 0.8867 (tt0) cc_final: 0.8532 (tt0) REVERT: v 145 HIS cc_start: 0.8757 (t-90) cc_final: 0.8176 (t-90) REVERT: v 157 GLN cc_start: 0.9198 (tp-100) cc_final: 0.8734 (tp-100) REVERT: v 163 PHE cc_start: 0.7809 (m-80) cc_final: 0.7590 (m-80) REVERT: v 166 LEU cc_start: 0.9377 (tp) cc_final: 0.9041 (tp) REVERT: v 180 HIS cc_start: 0.8689 (t-90) cc_final: 0.7368 (t-90) REVERT: v 181 PHE cc_start: 0.9196 (t80) cc_final: 0.8989 (t80) REVERT: v 216 MET cc_start: 0.9065 (tmm) cc_final: 0.8717 (tmm) REVERT: v 217 GLU cc_start: 0.9230 (tm-30) cc_final: 0.8719 (mm-30) REVERT: v 228 MET cc_start: 0.7585 (ttp) cc_final: 0.7139 (ttp) REVERT: v 245 ASN cc_start: 0.5985 (p0) cc_final: 0.5717 (p0) REVERT: v 273 GLU cc_start: 0.9335 (mp0) cc_final: 0.8961 (mp0) REVERT: v 284 MET cc_start: 0.8030 (mmm) cc_final: 0.7746 (mmm) REVERT: v 300 LEU cc_start: 0.9685 (mt) cc_final: 0.9444 (mt) REVERT: v 312 TYR cc_start: 0.8740 (t80) cc_final: 0.8315 (t80) REVERT: v 345 TRP cc_start: 0.7750 (m100) cc_final: 0.7132 (m100) REVERT: v 359 LYS cc_start: 0.9622 (mtmt) cc_final: 0.9363 (mtmm) REVERT: v 377 ILE cc_start: 0.9271 (mm) cc_final: 0.8933 (tp) REVERT: v 404 PHE cc_start: 0.9242 (m-80) cc_final: 0.8829 (m-80) REVERT: v 405 SER cc_start: 0.9423 (t) cc_final: 0.9007 (p) REVERT: v 412 VAL cc_start: 0.9766 (m) cc_final: 0.9520 (p) REVERT: v 413 PHE cc_start: 0.9022 (t80) cc_final: 0.8554 (t80) REVERT: v 443 GLU cc_start: 0.6820 (tp30) cc_final: 0.6226 (mm-30) REVERT: v 452 PRO cc_start: 0.9281 (Cg_endo) cc_final: 0.9028 (Cg_exo) REVERT: v 460 ARG cc_start: 0.8448 (mmm-85) cc_final: 0.8065 (mmm-85) REVERT: v 471 MET cc_start: 0.8814 (ttt) cc_final: 0.8151 (ttp) REVERT: v 473 PHE cc_start: 0.9050 (m-80) cc_final: 0.8598 (m-80) REVERT: v 496 ILE cc_start: 0.8238 (mp) cc_final: 0.7915 (mp) REVERT: v 497 GLN cc_start: 0.8680 (mt0) cc_final: 0.8164 (mm110) REVERT: v 513 PHE cc_start: 0.9356 (m-80) cc_final: 0.9152 (m-80) REVERT: v 517 TYR cc_start: 0.8932 (m-80) cc_final: 0.8560 (m-80) REVERT: w 96 MET cc_start: 0.8114 (ptp) cc_final: 0.7338 (ptp) REVERT: w 98 MET cc_start: 0.8196 (ptt) cc_final: 0.7654 (ptm) REVERT: w 109 PHE cc_start: 0.6820 (m-80) cc_final: 0.6027 (m-80) REVERT: w 117 MET cc_start: 0.8736 (mmp) cc_final: 0.8512 (mmp) REVERT: w 125 PHE cc_start: 0.7816 (m-10) cc_final: 0.7377 (m-10) REVERT: w 128 ARG cc_start: 0.8823 (mtt-85) cc_final: 0.8505 (mmt180) REVERT: w 130 VAL cc_start: 0.9575 (m) cc_final: 0.9212 (p) REVERT: w 144 PHE cc_start: 0.9315 (m-80) cc_final: 0.8685 (m-10) REVERT: w 145 HIS cc_start: 0.9108 (t-90) cc_final: 0.8295 (t-90) REVERT: w 147 MET cc_start: 0.7811 (mtt) cc_final: 0.7589 (mtt) REVERT: w 177 ILE cc_start: 0.9663 (mm) cc_final: 0.9450 (mm) REVERT: w 178 TYR cc_start: 0.8997 (m-80) cc_final: 0.8377 (m-80) REVERT: w 209 ASP cc_start: 0.9550 (p0) cc_final: 0.9346 (p0) REVERT: w 256 LYS cc_start: 0.9356 (pttt) cc_final: 0.8410 (ptpt) REVERT: w 257 GLN cc_start: 0.9561 (mt0) cc_final: 0.9104 (mt0) REVERT: w 265 GLN cc_start: 0.9198 (pt0) cc_final: 0.8770 (pt0) REVERT: w 294 LEU cc_start: 0.9398 (tp) cc_final: 0.8522 (tp) REVERT: w 309 TRP cc_start: 0.9151 (m100) cc_final: 0.8133 (m100) REVERT: w 311 ASN cc_start: 0.9733 (m110) cc_final: 0.9445 (m-40) REVERT: w 312 TYR cc_start: 0.9166 (t80) cc_final: 0.8863 (t80) REVERT: w 356 GLN cc_start: 0.9542 (tp-100) cc_final: 0.9305 (tp40) REVERT: w 357 ILE cc_start: 0.9538 (mm) cc_final: 0.9287 (mm) REVERT: w 359 LYS cc_start: 0.9232 (tttp) cc_final: 0.8871 (tttt) REVERT: w 376 ILE cc_start: 0.9359 (mt) cc_final: 0.8819 (tp) REVERT: w 377 ILE cc_start: 0.8869 (mp) cc_final: 0.8416 (tp) REVERT: w 381 ASN cc_start: 0.9431 (m-40) cc_final: 0.9072 (m-40) REVERT: w 384 ASN cc_start: 0.9364 (m-40) cc_final: 0.9103 (m-40) REVERT: w 391 THR cc_start: 0.9082 (p) cc_final: 0.8834 (p) REVERT: w 404 PHE cc_start: 0.9217 (m-80) cc_final: 0.8697 (m-10) REVERT: w 410 LYS cc_start: 0.8801 (mmtt) cc_final: 0.8543 (mmtt) REVERT: w 420 LYS cc_start: 0.9332 (tttp) cc_final: 0.9013 (tptp) REVERT: w 460 ARG cc_start: 0.8986 (pmt-80) cc_final: 0.8551 (ttp80) REVERT: w 471 MET cc_start: 0.7470 (tmm) cc_final: 0.7080 (tmm) REVERT: w 473 PHE cc_start: 0.8712 (m-80) cc_final: 0.7232 (m-80) REVERT: w 481 ILE cc_start: 0.9222 (pt) cc_final: 0.8634 (pt) REVERT: w 517 TYR cc_start: 0.9519 (m-10) cc_final: 0.9239 (m-10) REVERT: x 96 MET cc_start: 0.8993 (mmp) cc_final: 0.8755 (mmm) REVERT: x 105 ASN cc_start: 0.7743 (m110) cc_final: 0.7523 (m-40) REVERT: x 117 MET cc_start: 0.8788 (mtp) cc_final: 0.8288 (mtp) REVERT: x 125 PHE cc_start: 0.7906 (m-80) cc_final: 0.7516 (m-80) REVERT: x 147 MET cc_start: 0.8704 (mmm) cc_final: 0.8130 (mmm) REVERT: x 148 TYR cc_start: 0.8297 (m-80) cc_final: 0.7853 (m-80) REVERT: x 166 LEU cc_start: 0.9427 (mt) cc_final: 0.9130 (mt) REVERT: x 176 ASP cc_start: 0.8753 (t0) cc_final: 0.8520 (t0) REVERT: x 178 TYR cc_start: 0.8822 (m-80) cc_final: 0.8375 (m-80) REVERT: x 182 PHE cc_start: 0.8510 (m-80) cc_final: 0.7848 (m-80) REVERT: x 199 ASP cc_start: 0.7321 (t0) cc_final: 0.6696 (t0) REVERT: x 204 ASP cc_start: 0.9534 (t0) cc_final: 0.9316 (t70) REVERT: x 212 ILE cc_start: 0.9776 (mt) cc_final: 0.9457 (mt) REVERT: x 213 LYS cc_start: 0.9518 (mttt) cc_final: 0.8782 (mttt) REVERT: x 217 GLU cc_start: 0.8778 (mm-30) cc_final: 0.8527 (mm-30) REVERT: x 228 MET cc_start: 0.8962 (mtp) cc_final: 0.8422 (mtp) REVERT: x 234 GLU cc_start: 0.8584 (tt0) cc_final: 0.8178 (tt0) REVERT: x 239 PHE cc_start: 0.8735 (t80) cc_final: 0.8379 (t80) REVERT: x 249 GLU cc_start: 0.8715 (mt-10) cc_final: 0.8165 (mt-10) REVERT: x 252 PHE cc_start: 0.9331 (p90) cc_final: 0.8944 (p90) REVERT: x 267 LYS cc_start: 0.9038 (ptmt) cc_final: 0.8700 (ptmt) REVERT: x 302 ILE cc_start: 0.9485 (mt) cc_final: 0.9243 (mt) REVERT: x 303 ASN cc_start: 0.8814 (t0) cc_final: 0.8554 (t160) REVERT: x 311 ASN cc_start: 0.9748 (m-40) cc_final: 0.8883 (m-40) REVERT: x 318 LYS cc_start: 0.9195 (ttmt) cc_final: 0.8688 (ttmm) REVERT: x 321 MET cc_start: 0.9550 (ptp) cc_final: 0.9106 (ptt) REVERT: x 332 PHE cc_start: 0.7884 (t80) cc_final: 0.7304 (t80) REVERT: x 360 GLU cc_start: 0.9625 (mm-30) cc_final: 0.9267 (mm-30) REVERT: x 366 ARG cc_start: 0.9394 (ttt-90) cc_final: 0.8875 (ttp80) REVERT: x 390 ASP cc_start: 0.9327 (t70) cc_final: 0.9097 (t70) REVERT: x 393 ILE cc_start: 0.9124 (pt) cc_final: 0.8590 (tp) REVERT: x 398 GLN cc_start: 0.8762 (tm-30) cc_final: 0.8492 (tm-30) REVERT: x 410 LYS cc_start: 0.9268 (mmmm) cc_final: 0.8936 (mmmm) REVERT: x 412 VAL cc_start: 0.9264 (t) cc_final: 0.8900 (t) REVERT: x 442 ASN cc_start: 0.8357 (t0) cc_final: 0.8017 (t0) REVERT: x 463 ASP cc_start: 0.8304 (t0) cc_final: 0.7791 (t0) REVERT: x 476 ARG cc_start: 0.7116 (ttm170) cc_final: 0.6437 (ttm170) REVERT: x 481 ILE cc_start: 0.9103 (pt) cc_final: 0.8834 (pt) REVERT: x 482 ASN cc_start: 0.9564 (t0) cc_final: 0.9238 (t0) REVERT: x 500 MET cc_start: 0.7427 (mtm) cc_final: 0.6839 (mpp) REVERT: x 514 ARG cc_start: 0.8520 (mmt90) cc_final: 0.8065 (tpp80) REVERT: y 75 ASN cc_start: 0.8323 (t0) cc_final: 0.7932 (t0) REVERT: y 78 ASN cc_start: 0.9318 (m-40) cc_final: 0.8512 (m-40) REVERT: y 115 GLN cc_start: 0.9096 (tp40) cc_final: 0.7910 (mm-40) REVERT: y 117 MET cc_start: 0.7059 (ttt) cc_final: 0.6267 (ttt) REVERT: y 123 GLN cc_start: 0.9313 (pt0) cc_final: 0.8678 (pt0) REVERT: y 134 ASP cc_start: 0.9202 (t0) cc_final: 0.8905 (t0) REVERT: y 147 MET cc_start: 0.8364 (mtt) cc_final: 0.8123 (mtt) REVERT: y 151 ASP cc_start: 0.8772 (p0) cc_final: 0.8552 (p0) REVERT: y 153 MET cc_start: 0.7745 (mtp) cc_final: 0.6292 (mmm) REVERT: y 180 HIS cc_start: 0.8554 (t70) cc_final: 0.8344 (t70) REVERT: y 183 GLN cc_start: 0.9045 (tp40) cc_final: 0.8080 (tp-100) REVERT: y 184 GLU cc_start: 0.8402 (mp0) cc_final: 0.8128 (mp0) REVERT: y 187 THR cc_start: 0.8034 (p) cc_final: 0.7827 (p) REVERT: y 204 ASP cc_start: 0.9515 (t70) cc_final: 0.9173 (p0) REVERT: y 217 GLU cc_start: 0.9493 (tt0) cc_final: 0.8476 (tp30) REVERT: y 228 MET cc_start: 0.8660 (tpp) cc_final: 0.8350 (tpp) REVERT: y 247 TRP cc_start: 0.7839 (m-10) cc_final: 0.7334 (m-10) REVERT: y 252 PHE cc_start: 0.9371 (p90) cc_final: 0.8602 (p90) REVERT: y 264 ARG cc_start: 0.6375 (mtt-85) cc_final: 0.5817 (mtt-85) REVERT: y 273 GLU cc_start: 0.9204 (mp0) cc_final: 0.8947 (mp0) REVERT: y 276 GLN cc_start: 0.9469 (mt0) cc_final: 0.9260 (mt0) REVERT: y 304 ARG cc_start: 0.9259 (mmm160) cc_final: 0.8845 (tpt90) REVERT: y 313 SER cc_start: 0.9537 (p) cc_final: 0.9054 (t) REVERT: y 348 GLU cc_start: 0.9039 (tt0) cc_final: 0.8077 (tt0) REVERT: y 363 GLU cc_start: 0.8968 (tp30) cc_final: 0.8404 (tp30) REVERT: y 404 PHE cc_start: 0.8662 (m-80) cc_final: 0.7972 (m-80) REVERT: y 406 THR cc_start: 0.9578 (p) cc_final: 0.9236 (t) REVERT: y 413 PHE cc_start: 0.8008 (t80) cc_final: 0.7731 (t80) REVERT: y 426 ASP cc_start: 0.9194 (t0) cc_final: 0.8684 (t0) REVERT: y 432 ASP cc_start: 0.5795 (t0) cc_final: 0.5306 (t70) REVERT: y 433 TYR cc_start: 0.6491 (p90) cc_final: 0.5301 (p90) REVERT: y 444 MET cc_start: 0.9299 (mmm) cc_final: 0.8984 (mmm) REVERT: y 453 TYR cc_start: 0.6752 (t80) cc_final: 0.6341 (t80) REVERT: y 463 ASP cc_start: 0.9163 (t0) cc_final: 0.8760 (t70) REVERT: y 468 GLN cc_start: 0.7388 (mt0) cc_final: 0.7167 (mt0) REVERT: y 471 MET cc_start: 0.8419 (tpt) cc_final: 0.8019 (tpp) REVERT: y 481 ILE cc_start: 0.9266 (tp) cc_final: 0.8885 (tp) REVERT: y 484 PHE cc_start: 0.8493 (m-80) cc_final: 0.8225 (m-80) REVERT: y 497 GLN cc_start: 0.8619 (tp-100) cc_final: 0.8160 (tp40) REVERT: y 509 LYS cc_start: 0.9029 (mttp) cc_final: 0.8621 (mtmt) REVERT: z 147 MET cc_start: 0.8039 (mtt) cc_final: 0.7212 (mtt) REVERT: z 153 MET cc_start: 0.9297 (mpp) cc_final: 0.8641 (mpp) REVERT: z 173 THR cc_start: 0.9147 (m) cc_final: 0.8879 (p) REVERT: z 177 ILE cc_start: 0.9197 (mm) cc_final: 0.8659 (mm) REVERT: z 189 TYR cc_start: 0.8122 (m-80) cc_final: 0.7531 (m-80) REVERT: z 199 ASP cc_start: 0.8964 (t0) cc_final: 0.8468 (t0) REVERT: z 232 ILE cc_start: 0.9240 (mm) cc_final: 0.8965 (tp) REVERT: z 250 MET cc_start: 0.8674 (mtp) cc_final: 0.7997 (ptm) REVERT: z 277 ASP cc_start: 0.9404 (m-30) cc_final: 0.9202 (m-30) REVERT: z 360 GLU cc_start: 0.9731 (mm-30) cc_final: 0.8900 (mm-30) REVERT: z 390 ASP cc_start: 0.8718 (t0) cc_final: 0.8511 (t0) REVERT: z 432 ASP cc_start: 0.8064 (p0) cc_final: 0.7533 (p0) REVERT: z 444 MET cc_start: 0.9357 (mmp) cc_final: 0.8808 (mmp) REVERT: z 518 VAL cc_start: 0.9005 (p) cc_final: 0.8625 (p) REVERT: A 71 ASP cc_start: 0.8973 (m-30) cc_final: 0.8721 (m-30) REVERT: A 72 HIS cc_start: 0.7968 (m90) cc_final: 0.7179 (m170) REVERT: A 78 ASN cc_start: 0.9358 (m110) cc_final: 0.8934 (p0) REVERT: A 115 GLN cc_start: 0.9142 (tm-30) cc_final: 0.8749 (tm-30) REVERT: A 134 ASP cc_start: 0.8129 (t70) cc_final: 0.7877 (t0) REVERT: A 177 ILE cc_start: 0.9378 (mp) cc_final: 0.9164 (mp) REVERT: A 182 PHE cc_start: 0.8944 (m-80) cc_final: 0.8579 (m-80) REVERT: A 199 ASP cc_start: 0.8315 (t0) cc_final: 0.7964 (t0) REVERT: A 215 GLN cc_start: 0.9424 (mm-40) cc_final: 0.9211 (mm110) REVERT: A 231 SER cc_start: 0.9207 (p) cc_final: 0.8897 (m) REVERT: A 257 GLN cc_start: 0.8828 (mm-40) cc_final: 0.8498 (mm-40) REVERT: A 297 GLU cc_start: 0.9324 (tp30) cc_final: 0.9047 (tp30) REVERT: A 299 MET cc_start: 0.9629 (mmp) cc_final: 0.9311 (mmm) REVERT: A 309 TRP cc_start: 0.8854 (m100) cc_final: 0.7497 (m100) REVERT: A 311 ASN cc_start: 0.9821 (m110) cc_final: 0.9141 (m-40) REVERT: A 315 GLN cc_start: 0.7049 (mt0) cc_final: 0.6530 (mt0) REVERT: A 333 ASP cc_start: 0.7567 (t0) cc_final: 0.7351 (t0) REVERT: A 363 GLU cc_start: 0.9298 (tp30) cc_final: 0.8416 (tp30) REVERT: A 390 ASP cc_start: 0.8340 (t70) cc_final: 0.8072 (t0) REVERT: A 410 LYS cc_start: 0.9514 (mmmm) cc_final: 0.9032 (tptp) REVERT: A 433 TYR cc_start: 0.7716 (p90) cc_final: 0.7065 (p90) REVERT: A 435 THR cc_start: 0.9455 (p) cc_final: 0.8590 (m) REVERT: B 110 ASP cc_start: 0.6776 (t0) cc_final: 0.6225 (t0) REVERT: B 111 ILE cc_start: 0.9208 (pt) cc_final: 0.8870 (pt) REVERT: B 112 CYS cc_start: 0.8256 (p) cc_final: 0.8054 (p) REVERT: B 131 TYR cc_start: 0.7902 (p90) cc_final: 0.7577 (p90) REVERT: B 145 HIS cc_start: 0.8833 (t-90) cc_final: 0.8459 (t-90) REVERT: B 147 MET cc_start: 0.9086 (mmm) cc_final: 0.8731 (mmm) REVERT: B 148 TYR cc_start: 0.8871 (m-80) cc_final: 0.8393 (m-80) REVERT: B 151 ASP cc_start: 0.7716 (t0) cc_final: 0.7295 (t0) REVERT: B 163 PHE cc_start: 0.7714 (m-10) cc_final: 0.7482 (m-10) REVERT: B 178 TYR cc_start: 0.7795 (m-80) cc_final: 0.6878 (m-80) REVERT: B 198 ILE cc_start: 0.9182 (mt) cc_final: 0.8670 (tp) REVERT: B 213 LYS cc_start: 0.9292 (ptpt) cc_final: 0.8950 (pptt) REVERT: B 217 GLU cc_start: 0.8095 (mm-30) cc_final: 0.7681 (mm-30) REVERT: B 250 MET cc_start: 0.8190 (mtp) cc_final: 0.7742 (mmm) REVERT: B 305 GLU cc_start: 0.9078 (tt0) cc_final: 0.8702 (tt0) REVERT: B 318 LYS cc_start: 0.9249 (tppt) cc_final: 0.8759 (tppt) REVERT: B 321 MET cc_start: 0.8628 (mmp) cc_final: 0.7848 (mmm) REVERT: B 336 ASP cc_start: 0.8188 (t0) cc_final: 0.7673 (t70) REVERT: B 341 ARG cc_start: 0.9628 (mmm160) cc_final: 0.9419 (mmt-90) REVERT: B 356 GLN cc_start: 0.9422 (tp40) cc_final: 0.9104 (tp40) REVERT: B 377 ILE cc_start: 0.9194 (mt) cc_final: 0.8918 (tp) REVERT: B 404 PHE cc_start: 0.8335 (m-80) cc_final: 0.7890 (m-80) REVERT: B 413 PHE cc_start: 0.8932 (t80) cc_final: 0.8553 (t80) REVERT: B 426 ASP cc_start: 0.9178 (t0) cc_final: 0.8685 (t0) REVERT: B 442 ASN cc_start: 0.9319 (t0) cc_final: 0.9103 (t0) REVERT: B 481 ILE cc_start: 0.8587 (pt) cc_final: 0.7790 (pt) REVERT: B 482 ASN cc_start: 0.8330 (t0) cc_final: 0.7783 (t0) REVERT: B 484 PHE cc_start: 0.8602 (m-10) cc_final: 0.8270 (m-80) REVERT: B 505 ASN cc_start: 0.9493 (m-40) cc_final: 0.9204 (m-40) REVERT: B 510 ASN cc_start: 0.8313 (t0) cc_final: 0.7869 (t0) REVERT: B 512 TYR cc_start: 0.7936 (m-10) cc_final: 0.7681 (m-10) REVERT: B 513 PHE cc_start: 0.9082 (m-80) cc_final: 0.8626 (m-80) REVERT: C 96 MET cc_start: 0.8472 (mtm) cc_final: 0.8125 (mtm) REVERT: C 105 ASN cc_start: 0.8315 (m110) cc_final: 0.7771 (m-40) REVERT: C 107 ILE cc_start: 0.9285 (mt) cc_final: 0.8939 (mt) REVERT: C 119 SER cc_start: 0.9538 (p) cc_final: 0.9190 (m) REVERT: C 123 GLN cc_start: 0.9363 (pt0) cc_final: 0.8818 (pt0) REVERT: C 151 ASP cc_start: 0.8912 (p0) cc_final: 0.8233 (t0) REVERT: C 184 GLU cc_start: 0.8283 (tp30) cc_final: 0.7268 (tm-30) REVERT: C 199 ASP cc_start: 0.7876 (t0) cc_final: 0.7411 (t0) REVERT: C 209 ASP cc_start: 0.9178 (t70) cc_final: 0.8905 (m-30) REVERT: C 213 LYS cc_start: 0.9482 (mtmt) cc_final: 0.9001 (mmmt) REVERT: C 223 GLU cc_start: 0.9424 (tt0) cc_final: 0.9009 (tt0) REVERT: C 224 ILE cc_start: 0.9321 (pt) cc_final: 0.9017 (mm) REVERT: C 249 GLU cc_start: 0.7403 (mt-10) cc_final: 0.6758 (mt-10) REVERT: C 250 MET cc_start: 0.8978 (mmm) cc_final: 0.8674 (mmm) REVERT: C 253 ARG cc_start: 0.8510 (ttm170) cc_final: 0.8288 (ttp-170) REVERT: C 257 GLN cc_start: 0.9233 (mt0) cc_final: 0.9007 (mt0) REVERT: C 273 GLU cc_start: 0.9167 (mp0) cc_final: 0.8797 (pm20) REVERT: C 285 ASP cc_start: 0.8958 (m-30) cc_final: 0.8727 (m-30) REVERT: C 287 ASP cc_start: 0.9388 (p0) cc_final: 0.8801 (t0) REVERT: C 312 TYR cc_start: 0.9349 (t80) cc_final: 0.8807 (t80) REVERT: C 321 MET cc_start: 0.8882 (pmm) cc_final: 0.8562 (pmm) REVERT: C 334 PHE cc_start: 0.8824 (m-80) cc_final: 0.8064 (m-80) REVERT: C 336 ASP cc_start: 0.7739 (t0) cc_final: 0.7022 (t70) REVERT: C 345 TRP cc_start: 0.9433 (t60) cc_final: 0.8943 (t60) REVERT: C 356 GLN cc_start: 0.9521 (tp40) cc_final: 0.9029 (tp-100) REVERT: C 408 THR cc_start: 0.9624 (p) cc_final: 0.9423 (p) REVERT: C 433 TYR cc_start: 0.8593 (p90) cc_final: 0.8228 (p90) REVERT: C 452 PRO cc_start: 0.8945 (Cg_endo) cc_final: 0.8017 (Cg_exo) REVERT: C 500 MET cc_start: 0.8809 (mmp) cc_final: 0.8608 (mmp) REVERT: C 505 ASN cc_start: 0.8415 (t0) cc_final: 0.8108 (t0) REVERT: D 74 TYR cc_start: 0.7752 (m-10) cc_final: 0.7358 (m-10) REVERT: D 83 GLN cc_start: 0.8489 (tm-30) cc_final: 0.7876 (tm-30) REVERT: D 96 MET cc_start: 0.8774 (ptp) cc_final: 0.8207 (ptm) REVERT: D 106 LEU cc_start: 0.9289 (pp) cc_final: 0.9084 (pp) REVERT: D 107 ILE cc_start: 0.7847 (mp) cc_final: 0.7485 (mp) REVERT: D 109 PHE cc_start: 0.9055 (p90) cc_final: 0.8539 (p90) REVERT: D 145 HIS cc_start: 0.8820 (t-90) cc_final: 0.8225 (t-90) REVERT: D 148 TYR cc_start: 0.9307 (m-80) cc_final: 0.8766 (m-80) REVERT: D 166 LEU cc_start: 0.9178 (mt) cc_final: 0.8912 (mt) REVERT: D 191 GLN cc_start: 0.8990 (tt0) cc_final: 0.8333 (tp-100) REVERT: D 213 LYS cc_start: 0.9211 (mttt) cc_final: 0.8743 (mttt) REVERT: D 216 MET cc_start: 0.9481 (mtm) cc_final: 0.9129 (mtt) REVERT: D 239 PHE cc_start: 0.8023 (t80) cc_final: 0.7733 (t80) REVERT: D 249 GLU cc_start: 0.8495 (mm-30) cc_final: 0.8142 (mm-30) REVERT: D 250 MET cc_start: 0.9266 (pmm) cc_final: 0.8698 (pmm) REVERT: D 262 LYS cc_start: 0.8516 (mmtm) cc_final: 0.7791 (tptt) REVERT: D 264 ARG cc_start: 0.4855 (mtt90) cc_final: 0.2804 (mtt90) REVERT: D 273 GLU cc_start: 0.9706 (mp0) cc_final: 0.9468 (mp0) REVERT: D 289 GLU cc_start: 0.9157 (tt0) cc_final: 0.8879 (tt0) REVERT: D 309 TRP cc_start: 0.8997 (m100) cc_final: 0.8138 (m100) REVERT: D 332 PHE cc_start: 0.8785 (t80) cc_final: 0.8157 (t80) REVERT: D 345 TRP cc_start: 0.9318 (p-90) cc_final: 0.8678 (p-90) REVERT: D 348 GLU cc_start: 0.8598 (mt-10) cc_final: 0.8050 (mt-10) REVERT: D 372 GLU cc_start: 0.8721 (tt0) cc_final: 0.8312 (tt0) REVERT: D 386 LEU cc_start: 0.9814 (mt) cc_final: 0.9540 (mt) REVERT: D 391 THR cc_start: 0.9367 (p) cc_final: 0.9076 (t) REVERT: D 404 PHE cc_start: 0.9120 (m-80) cc_final: 0.8614 (m-80) REVERT: D 420 LYS cc_start: 0.8800 (ttpt) cc_final: 0.8341 (ttpt) REVERT: D 442 ASN cc_start: 0.9332 (p0) cc_final: 0.8950 (t0) REVERT: D 448 ILE cc_start: 0.9689 (mt) cc_final: 0.9480 (mt) REVERT: D 465 LYS cc_start: 0.8821 (tppp) cc_final: 0.8044 (tppp) REVERT: D 481 ILE cc_start: 0.8834 (mm) cc_final: 0.8476 (tp) REVERT: D 513 PHE cc_start: 0.9330 (m-80) cc_final: 0.8510 (m-80) REVERT: D 515 ARG cc_start: 0.8053 (ptm-80) cc_final: 0.7415 (ttm-80) REVERT: E 12 TRP cc_start: 0.8229 (m100) cc_final: 0.7444 (m100) REVERT: E 15 MET cc_start: 0.8947 (mtm) cc_final: 0.8580 (ppp) REVERT: E 35 LYS cc_start: 0.8585 (tptt) cc_final: 0.8115 (mmtt) REVERT: E 36 LEU cc_start: 0.7377 (tp) cc_final: 0.7002 (mt) REVERT: E 37 ASP cc_start: 0.8945 (p0) cc_final: 0.8079 (t0) REVERT: E 79 TYR cc_start: 0.9201 (m-10) cc_final: 0.8892 (m-80) REVERT: E 112 ASN cc_start: 0.9512 (t0) cc_final: 0.8928 (p0) REVERT: E 146 HIS cc_start: 0.8881 (m-70) cc_final: 0.8591 (m-70) REVERT: E 184 TYR cc_start: 0.7011 (m-10) cc_final: 0.6739 (m-10) REVERT: E 186 ARG cc_start: 0.6491 (mtm180) cc_final: 0.6157 (mtm180) REVERT: E 330 MET cc_start: 0.7844 (ptm) cc_final: 0.7531 (ptm) REVERT: E 360 GLU cc_start: 0.8800 (mm-30) cc_final: 0.8285 (mm-30) REVERT: E 371 MET cc_start: 0.9385 (mmp) cc_final: 0.8814 (mmp) REVERT: E 442 ASN cc_start: 0.8839 (m-40) cc_final: 0.8429 (m-40) REVERT: E 444 ILE cc_start: 0.8917 (pt) cc_final: 0.8491 (mm) REVERT: E 451 ASP cc_start: 0.8926 (t70) cc_final: 0.8547 (p0) REVERT: E 457 LEU cc_start: 0.9537 (mt) cc_final: 0.9323 (mt) REVERT: E 470 LEU cc_start: 0.9273 (mt) cc_final: 0.9039 (mt) REVERT: E 479 LYS cc_start: 0.7913 (mtpt) cc_final: 0.7565 (tppt) REVERT: E 499 GLU cc_start: 0.8557 (tt0) cc_final: 0.8356 (tp30) REVERT: E 503 LYS cc_start: 0.8882 (mttt) cc_final: 0.8652 (ttmt) REVERT: F 1 MET cc_start: 0.6945 (pmm) cc_final: 0.6293 (pmm) REVERT: F 14 LYS cc_start: 0.9264 (mttt) cc_final: 0.8790 (mttt) REVERT: F 15 MET cc_start: 0.9542 (mtp) cc_final: 0.9210 (mmp) REVERT: F 17 GLU cc_start: 0.8930 (mt-10) cc_final: 0.8547 (mt-10) REVERT: F 26 GLU cc_start: 0.8670 (mp0) cc_final: 0.8366 (mp0) REVERT: F 80 ARG cc_start: 0.8933 (mtt90) cc_final: 0.8594 (mpp80) REVERT: F 83 MET cc_start: 0.7393 (tmm) cc_final: 0.7093 (tmm) REVERT: F 113 LEU cc_start: 0.7481 (mt) cc_final: 0.7246 (mt) REVERT: F 125 MET cc_start: 0.8682 (mtm) cc_final: 0.8381 (mtt) REVERT: F 132 ASP cc_start: 0.8977 (t70) cc_final: 0.8754 (t0) REVERT: F 146 HIS cc_start: 0.9263 (m-70) cc_final: 0.8826 (m-70) REVERT: F 147 PHE cc_start: 0.9153 (t80) cc_final: 0.8919 (t80) REVERT: F 150 TRP cc_start: 0.8088 (t60) cc_final: 0.7611 (t60) REVERT: F 176 ARG cc_start: 0.8958 (ppt170) cc_final: 0.8714 (ppt170) REVERT: F 230 ILE cc_start: 0.8744 (mm) cc_final: 0.8495 (mm) REVERT: F 236 VAL cc_start: 0.8674 (t) cc_final: 0.8319 (t) REVERT: F 239 HIS cc_start: 0.8453 (p90) cc_final: 0.8097 (p-80) REVERT: F 259 LYS cc_start: 0.7579 (tttp) cc_final: 0.7082 (tppt) REVERT: F 262 ASN cc_start: 0.9206 (m110) cc_final: 0.8981 (m110) REVERT: F 281 ASP cc_start: 0.7978 (t0) cc_final: 0.7276 (p0) REVERT: F 301 MET cc_start: 0.5222 (mmm) cc_final: 0.4572 (mmm) REVERT: F 365 PHE cc_start: 0.9560 (m-80) cc_final: 0.9172 (m-80) REVERT: F 371 MET cc_start: 0.7934 (mtp) cc_final: 0.7376 (mtp) REVERT: F 409 GLU cc_start: 0.9770 (mt-10) cc_final: 0.9509 (mt-10) REVERT: F 410 LEU cc_start: 0.9635 (mt) cc_final: 0.9287 (mt) REVERT: F 420 ASP cc_start: 0.9127 (t70) cc_final: 0.8853 (t70) REVERT: F 425 ASN cc_start: 0.9055 (m-40) cc_final: 0.8268 (p0) REVERT: F 436 GLU cc_start: 0.8767 (tp30) cc_final: 0.8320 (tp30) REVERT: F 440 GLU cc_start: 0.8842 (mt-10) cc_final: 0.8499 (mt-10) REVERT: F 459 GLU cc_start: 0.8619 (mt-10) cc_final: 0.8314 (mt-10) REVERT: F 464 GLU cc_start: 0.8788 (pp20) cc_final: 0.8439 (pp20) REVERT: F 465 ARG cc_start: 0.8449 (mtt180) cc_final: 0.8084 (ttm170) REVERT: F 472 MET cc_start: 0.8669 (mmm) cc_final: 0.7973 (mtp) REVERT: F 479 LYS cc_start: 0.6944 (mttt) cc_final: 0.6499 (tptt) REVERT: F 480 TYR cc_start: 0.9025 (m-80) cc_final: 0.8078 (m-80) REVERT: F 481 ILE cc_start: 0.9562 (mp) cc_final: 0.9173 (tp) REVERT: F 491 LEU cc_start: 0.9528 (mt) cc_final: 0.9308 (mt) REVERT: F 504 GLN cc_start: 0.9545 (tp-100) cc_final: 0.9326 (tp-100) REVERT: G 31 ILE cc_start: 0.7794 (mt) cc_final: 0.7421 (mp) REVERT: G 42 GLU cc_start: 0.8284 (pp20) cc_final: 0.7791 (tm-30) REVERT: G 43 PHE cc_start: 0.8933 (t80) cc_final: 0.8693 (t80) REVERT: G 48 ASN cc_start: 0.8496 (t0) cc_final: 0.8175 (t0) REVERT: G 70 LYS cc_start: 0.8479 (tptm) cc_final: 0.8150 (mptt) REVERT: G 109 VAL cc_start: 0.8029 (p) cc_final: 0.7433 (p) REVERT: G 174 LEU cc_start: 0.9183 (mt) cc_final: 0.8941 (mt) REVERT: G 178 ASP cc_start: 0.8547 (t0) cc_final: 0.8288 (t0) REVERT: G 251 ILE cc_start: 0.8965 (pt) cc_final: 0.8748 (pt) REVERT: G 259 LYS cc_start: 0.8988 (tttt) cc_final: 0.8538 (tppt) REVERT: G 265 LYS cc_start: 0.9161 (mtpt) cc_final: 0.8731 (mmmt) REVERT: G 266 LEU cc_start: 0.8575 (mt) cc_final: 0.8354 (mt) REVERT: G 292 MET cc_start: 0.4047 (tpp) cc_final: 0.3221 (tmm) REVERT: G 308 MET cc_start: 0.4134 (mtt) cc_final: 0.3357 (mpp) REVERT: G 338 ARG cc_start: 0.5487 (tpp80) cc_final: 0.4815 (ttm-80) REVERT: G 354 ASP cc_start: 0.7064 (t0) cc_final: 0.6807 (t0) REVERT: G 371 MET cc_start: 0.8815 (ptm) cc_final: 0.8222 (tmm) REVERT: G 406 PHE cc_start: 0.8781 (t80) cc_final: 0.8417 (t80) REVERT: G 409 GLU cc_start: 0.9149 (mt-10) cc_final: 0.8851 (mt-10) REVERT: G 413 LYS cc_start: 0.9712 (mttt) cc_final: 0.9382 (mtpt) REVERT: G 416 GLU cc_start: 0.8752 (tp30) cc_final: 0.8373 (tp30) REVERT: G 449 HIS cc_start: 0.8309 (t70) cc_final: 0.7611 (t70) REVERT: G 463 LEU cc_start: 0.9610 (tp) cc_final: 0.9407 (tp) REVERT: G 466 ARG cc_start: 0.8347 (mtt180) cc_final: 0.7734 (ttm110) REVERT: G 469 MET cc_start: 0.8428 (mmp) cc_final: 0.7901 (mmp) REVERT: G 501 GLU cc_start: 0.9298 (mt-10) cc_final: 0.9084 (mt-10) REVERT: G 507 GLU cc_start: 0.8894 (mt-10) cc_final: 0.8526 (mt-10) REVERT: H 81 ASN cc_start: 0.9007 (m-40) cc_final: 0.8595 (t0) REVERT: H 98 ASP cc_start: 0.9417 (m-30) cc_final: 0.8997 (p0) REVERT: H 102 TYR cc_start: 0.7225 (m-10) cc_final: 0.6953 (m-80) REVERT: H 103 GLU cc_start: 0.8083 (mt-10) cc_final: 0.7012 (mp0) REVERT: H 126 MET cc_start: 0.9091 (ptp) cc_final: 0.8647 (ppp) REVERT: H 127 LEU cc_start: 0.9384 (mt) cc_final: 0.8870 (mt) REVERT: H 146 HIS cc_start: 0.8631 (m-70) cc_final: 0.8129 (m-70) REVERT: H 173 GLU cc_start: 0.7976 (pm20) cc_final: 0.7647 (pm20) REVERT: H 174 LEU cc_start: 0.8454 (mp) cc_final: 0.8188 (mp) REVERT: H 263 GLN cc_start: 0.8731 (mt0) cc_final: 0.8476 (mt0) REVERT: H 274 TYR cc_start: 0.7685 (t80) cc_final: 0.7385 (t80) REVERT: H 275 ARG cc_start: 0.9518 (tpt-90) cc_final: 0.9174 (ttt-90) REVERT: H 292 MET cc_start: 0.6253 (mtt) cc_final: 0.5916 (ptp) REVERT: H 305 MET cc_start: -0.1868 (ptm) cc_final: -0.2288 (ptm) REVERT: H 308 MET cc_start: 0.2661 (mmt) cc_final: 0.2124 (mmt) REVERT: H 363 ARG cc_start: 0.9075 (mtp180) cc_final: 0.8487 (ttm110) REVERT: H 365 PHE cc_start: 0.9360 (m-80) cc_final: 0.8773 (m-80) REVERT: H 407 ILE cc_start: 0.9526 (mm) cc_final: 0.9116 (mm) REVERT: H 409 GLU cc_start: 0.9594 (mt-10) cc_final: 0.9360 (mt-10) REVERT: H 413 LYS cc_start: 0.9356 (mmtt) cc_final: 0.8873 (mmtt) REVERT: H 414 PHE cc_start: 0.9211 (t80) cc_final: 0.8690 (t80) REVERT: H 417 VAL cc_start: 0.8991 (p) cc_final: 0.8742 (p) REVERT: H 419 LEU cc_start: 0.9402 (mm) cc_final: 0.9105 (mm) REVERT: H 420 ASP cc_start: 0.9194 (t70) cc_final: 0.8929 (t70) REVERT: H 429 LYS cc_start: 0.9194 (tmmt) cc_final: 0.8942 (ptpp) REVERT: H 431 ILE cc_start: 0.7324 (mt) cc_final: 0.6655 (mt) REVERT: H 451 ASP cc_start: 0.9139 (t0) cc_final: 0.8920 (t0) REVERT: H 459 GLU cc_start: 0.9215 (mt-10) cc_final: 0.8940 (mt-10) REVERT: H 472 MET cc_start: 0.8966 (mtm) cc_final: 0.8677 (mtp) REVERT: H 487 MET cc_start: 0.8958 (mtt) cc_final: 0.8655 (mtp) REVERT: H 500 GLN cc_start: 0.9523 (tp40) cc_final: 0.9169 (tp-100) REVERT: I 16 ASP cc_start: 0.9176 (t0) cc_final: 0.8957 (m-30) REVERT: I 45 VAL cc_start: 0.8325 (t) cc_final: 0.7790 (t) REVERT: I 76 ILE cc_start: 0.8787 (mt) cc_final: 0.8536 (mt) REVERT: I 79 TYR cc_start: 0.9299 (m-10) cc_final: 0.8085 (m-80) REVERT: I 123 LYS cc_start: 0.8963 (pttm) cc_final: 0.8754 (pttm) REVERT: I 126 MET cc_start: 0.8871 (mtm) cc_final: 0.8522 (mtm) REVERT: I 163 ASP cc_start: 0.8221 (t70) cc_final: 0.7988 (t70) REVERT: I 175 ARG cc_start: 0.8053 (mmp80) cc_final: 0.7664 (tpp80) REVERT: I 262 ASN cc_start: 0.8852 (m-40) cc_final: 0.8285 (t0) REVERT: I 266 LEU cc_start: 0.8952 (mm) cc_final: 0.8642 (mm) REVERT: I 267 LEU cc_start: 0.8579 (mt) cc_final: 0.8273 (mt) REVERT: I 367 GLN cc_start: 0.8890 (tm-30) cc_final: 0.8456 (tm-30) REVERT: I 371 MET cc_start: 0.8466 (mtp) cc_final: 0.8017 (ptp) REVERT: I 401 LEU cc_start: 0.9422 (mt) cc_final: 0.9217 (mt) REVERT: I 405 LYS cc_start: 0.9465 (mttt) cc_final: 0.9251 (mppt) REVERT: I 469 MET cc_start: 0.9362 (mmm) cc_final: 0.8607 (mmm) REVERT: I 481 ILE cc_start: 0.9148 (mm) cc_final: 0.8748 (tp) REVERT: I 501 GLU cc_start: 0.9405 (mm-30) cc_final: 0.8894 (pp20) REVERT: J 94 GLU cc_start: 0.9439 (tt0) cc_final: 0.9102 (tt0) REVERT: J 98 ASP cc_start: 0.8726 (m-30) cc_final: 0.8191 (m-30) REVERT: J 126 MET cc_start: 0.8803 (mtt) cc_final: 0.8375 (mtt) REVERT: J 146 HIS cc_start: 0.9059 (m170) cc_final: 0.8224 (m-70) REVERT: J 158 PHE cc_start: 0.9376 (m-80) cc_final: 0.9019 (m-80) REVERT: J 176 ARG cc_start: 0.8881 (ttp-170) cc_final: 0.8213 (ttt180) REVERT: J 183 GLN cc_start: 0.8984 (mp10) cc_final: 0.8595 (mp10) REVERT: J 205 TYR cc_start: 0.8862 (p90) cc_final: 0.8355 (p90) REVERT: J 251 ILE cc_start: 0.8265 (mm) cc_final: 0.7954 (mm) REVERT: J 263 GLN cc_start: 0.9218 (pt0) cc_final: 0.8824 (pp30) REVERT: J 367 GLN cc_start: 0.9282 (tp40) cc_final: 0.8496 (tp40) REVERT: J 371 MET cc_start: 0.9330 (mtp) cc_final: 0.8452 (mtm) REVERT: J 396 ILE cc_start: 0.7787 (mm) cc_final: 0.6999 (mm) REVERT: J 400 GLU cc_start: 0.9209 (tp30) cc_final: 0.8990 (tp30) REVERT: J 401 LEU cc_start: 0.9292 (mm) cc_final: 0.9058 (mm) REVERT: J 405 LYS cc_start: 0.9182 (mttm) cc_final: 0.8880 (mtpp) REVERT: J 408 ARG cc_start: 0.8199 (mmm160) cc_final: 0.7362 (mmm160) REVERT: J 409 GLU cc_start: 0.9220 (mt-10) cc_final: 0.8926 (mt-10) REVERT: J 411 GLN cc_start: 0.9264 (mt0) cc_final: 0.8569 (mt0) REVERT: J 413 LYS cc_start: 0.9430 (mmtt) cc_final: 0.9095 (mmtt) REVERT: J 414 PHE cc_start: 0.9024 (t80) cc_final: 0.8803 (t80) REVERT: J 420 ASP cc_start: 0.8320 (m-30) cc_final: 0.8069 (m-30) REVERT: J 431 ILE cc_start: 0.7038 (mm) cc_final: 0.6815 (mm) REVERT: J 445 LYS cc_start: 0.8285 (tmtt) cc_final: 0.7745 (tptp) REVERT: J 448 PHE cc_start: 0.6628 (m-80) cc_final: 0.5818 (m-80) REVERT: J 451 ASP cc_start: 0.8958 (t0) cc_final: 0.8423 (t0) REVERT: J 457 LEU cc_start: 0.8916 (tt) cc_final: 0.8501 (tt) REVERT: J 458 LYS cc_start: 0.8233 (ttpt) cc_final: 0.7899 (ttpt) REVERT: J 459 GLU cc_start: 0.9466 (tm-30) cc_final: 0.9264 (tm-30) REVERT: J 461 GLU cc_start: 0.9125 (mt-10) cc_final: 0.8659 (mt-10) REVERT: J 468 ASN cc_start: 0.9048 (m110) cc_final: 0.8708 (m110) REVERT: J 489 ASP cc_start: 0.8969 (m-30) cc_final: 0.8745 (m-30) REVERT: J 499 GLU cc_start: 0.9221 (mt-10) cc_final: 0.8683 (pt0) REVERT: K 31 ILE cc_start: 0.7413 (mp) cc_final: 0.6781 (tp) REVERT: K 42 GLU cc_start: 0.8906 (pm20) cc_final: 0.8631 (pm20) REVERT: K 86 TYR cc_start: 0.6504 (t80) cc_final: 0.6061 (t80) REVERT: K 114 ASP cc_start: 0.8766 (p0) cc_final: 0.8507 (p0) REVERT: K 122 ILE cc_start: 0.8408 (mt) cc_final: 0.8101 (mt) REVERT: K 125 MET cc_start: 0.8610 (mmp) cc_final: 0.8238 (mmp) REVERT: K 126 MET cc_start: 0.9311 (mtp) cc_final: 0.9030 (mtp) REVERT: K 158 PHE cc_start: 0.9177 (m-80) cc_final: 0.8833 (m-10) REVERT: K 202 TYR cc_start: 0.8560 (m-80) cc_final: 0.8158 (m-80) REVERT: K 301 MET cc_start: 0.1233 (mmm) cc_final: 0.0828 (mmt) REVERT: K 359 MET cc_start: 0.8941 (ttp) cc_final: 0.8678 (ptt) REVERT: K 360 GLU cc_start: 0.9514 (mm-30) cc_final: 0.8884 (mp0) REVERT: K 371 MET cc_start: 0.9637 (mpp) cc_final: 0.9359 (mpp) REVERT: K 379 ARG cc_start: 0.8541 (mmp80) cc_final: 0.7882 (mmm-85) REVERT: K 396 ILE cc_start: 0.8787 (tt) cc_final: 0.8426 (tt) REVERT: K 398 ARG cc_start: 0.6889 (ttt180) cc_final: 0.6388 (mtp180) REVERT: K 401 LEU cc_start: 0.9180 (mt) cc_final: 0.8683 (mt) REVERT: K 408 ARG cc_start: 0.9489 (mmm160) cc_final: 0.9158 (tpt-90) REVERT: K 411 GLN cc_start: 0.9108 (mt0) cc_final: 0.8544 (mm-40) REVERT: K 419 LEU cc_start: 0.9155 (mt) cc_final: 0.8910 (mt) REVERT: K 420 ASP cc_start: 0.9552 (t0) cc_final: 0.9174 (t0) REVERT: K 423 LYS cc_start: 0.8640 (ptpp) cc_final: 0.8266 (tttp) REVERT: K 448 PHE cc_start: 0.8496 (m-10) cc_final: 0.8224 (m-10) REVERT: K 457 LEU cc_start: 0.9028 (mt) cc_final: 0.8757 (mt) REVERT: K 461 GLU cc_start: 0.8772 (mt-10) cc_final: 0.8466 (mt-10) REVERT: K 465 ARG cc_start: 0.8978 (tpm170) cc_final: 0.8262 (tpp-160) REVERT: K 472 MET cc_start: 0.9296 (mtm) cc_final: 0.8452 (mtp) REVERT: K 485 THR cc_start: 0.9260 (p) cc_final: 0.8909 (p) REVERT: K 487 MET cc_start: 0.9151 (mtm) cc_final: 0.8898 (ttm) REVERT: K 488 LYS cc_start: 0.8091 (pttp) cc_final: 0.7887 (pttp) REVERT: K 497 GLU cc_start: 0.7612 (tt0) cc_final: 0.7022 (tt0) REVERT: K 501 GLU cc_start: 0.8968 (mm-30) cc_final: 0.8718 (mm-30) REVERT: K 503 LYS cc_start: 0.8022 (tttm) cc_final: 0.7692 (mmmm) REVERT: L 24 GLU cc_start: 0.8482 (tt0) cc_final: 0.7772 (mt-10) REVERT: L 83 MET cc_start: 0.9332 (ttp) cc_final: 0.8952 (tpp) REVERT: L 85 ASN cc_start: 0.9148 (m-40) cc_final: 0.8944 (m-40) REVERT: L 111 LEU cc_start: 0.9389 (tp) cc_final: 0.9180 (tp) REVERT: L 112 ASN cc_start: 0.8374 (m110) cc_final: 0.8092 (m110) REVERT: L 113 LEU cc_start: 0.7086 (mt) cc_final: 0.6442 (mt) REVERT: L 173 GLU cc_start: 0.8114 (mp0) cc_final: 0.7860 (mp0) REVERT: L 202 TYR cc_start: 0.7248 (m-80) cc_final: 0.6947 (m-80) REVERT: L 208 TYR cc_start: 0.7980 (t80) cc_final: 0.7763 (t80) REVERT: L 221 MET cc_start: 0.7146 (mtp) cc_final: 0.6938 (mtp) REVERT: L 259 LYS cc_start: 0.8798 (mttt) cc_final: 0.8580 (ttmt) REVERT: L 265 LYS cc_start: 0.8111 (mmmt) cc_final: 0.7884 (mmmt) REVERT: L 268 GLU cc_start: 0.9238 (tt0) cc_final: 0.8512 (tm-30) REVERT: L 312 VAL cc_start: 0.4835 (m) cc_final: 0.4434 (m) REVERT: L 314 TYR cc_start: 0.8245 (t80) cc_final: 0.7990 (t80) REVERT: L 359 MET cc_start: 0.7710 (pmm) cc_final: 0.7295 (pmm) REVERT: L 363 ARG cc_start: 0.8770 (mtt180) cc_final: 0.8184 (ttm-80) REVERT: L 380 ILE cc_start: 0.8676 (mt) cc_final: 0.8205 (pt) REVERT: L 401 LEU cc_start: 0.9665 (mt) cc_final: 0.9463 (mt) REVERT: L 414 PHE cc_start: 0.8955 (t80) cc_final: 0.8563 (t80) REVERT: L 419 LEU cc_start: 0.9333 (mt) cc_final: 0.9027 (mt) REVERT: L 420 ASP cc_start: 0.9174 (t0) cc_final: 0.8833 (t0) REVERT: L 454 PHE cc_start: 0.9010 (m-80) cc_final: 0.8569 (m-80) REVERT: L 457 LEU cc_start: 0.9195 (mm) cc_final: 0.8915 (mt) REVERT: L 476 PHE cc_start: 0.9076 (m-80) cc_final: 0.8780 (m-80) REVERT: L 480 TYR cc_start: 0.9049 (m-80) cc_final: 0.8383 (m-80) REVERT: L 487 MET cc_start: 0.8685 (mmt) cc_final: 0.8062 (mmt) REVERT: L 493 MET cc_start: 0.8154 (mpp) cc_final: 0.7940 (mpp) REVERT: L 504 GLN cc_start: 0.9125 (mt0) cc_final: 0.8803 (mm-40) REVERT: M 38 ASP cc_start: 0.8833 (p0) cc_final: 0.8184 (p0) REVERT: M 45 VAL cc_start: 0.7520 (t) cc_final: 0.7029 (t) REVERT: M 74 GLU cc_start: 0.9301 (mt-10) cc_final: 0.9067 (mt-10) REVERT: M 75 LEU cc_start: 0.9094 (mt) cc_final: 0.8771 (mt) REVERT: M 78 THR cc_start: 0.8576 (m) cc_final: 0.8323 (p) REVERT: M 79 TYR cc_start: 0.9404 (m-10) cc_final: 0.8977 (m-80) REVERT: M 94 GLU cc_start: 0.9431 (tt0) cc_final: 0.9216 (tm-30) REVERT: M 98 ASP cc_start: 0.9476 (m-30) cc_final: 0.8540 (p0) REVERT: M 128 ASP cc_start: 0.9457 (m-30) cc_final: 0.9232 (m-30) REVERT: M 137 LEU cc_start: 0.9389 (mt) cc_final: 0.9151 (mt) REVERT: M 139 PHE cc_start: 0.7809 (t80) cc_final: 0.7535 (t80) REVERT: M 140 GLN cc_start: 0.9414 (pp30) cc_final: 0.9127 (pp30) REVERT: M 146 HIS cc_start: 0.9185 (m-70) cc_final: 0.8719 (m-70) REVERT: M 239 HIS cc_start: 0.8523 (p-80) cc_final: 0.7240 (p-80) REVERT: M 271 VAL cc_start: 0.9160 (p) cc_final: 0.8943 (p) REVERT: M 350 LEU cc_start: 0.7919 (mt) cc_final: 0.7686 (mt) REVERT: M 371 MET cc_start: 0.9405 (mtp) cc_final: 0.8980 (mtp) REVERT: M 373 LEU cc_start: 0.9526 (mt) cc_final: 0.9301 (mt) REVERT: M 401 LEU cc_start: 0.9247 (mt) cc_final: 0.9031 (mt) REVERT: M 407 ILE cc_start: 0.9812 (mt) cc_final: 0.9472 (mt) REVERT: M 411 GLN cc_start: 0.8505 (mm110) cc_final: 0.7897 (mm110) REVERT: M 420 ASP cc_start: 0.9462 (t70) cc_final: 0.9166 (t0) REVERT: M 472 MET cc_start: 0.8555 (mtp) cc_final: 0.8185 (mtp) REVERT: M 487 MET cc_start: 0.9033 (mtt) cc_final: 0.8599 (mtp) REVERT: M 490 ILE cc_start: 0.7637 (mm) cc_final: 0.7383 (mm) REVERT: M 491 LEU cc_start: 0.9272 (mt) cc_final: 0.9054 (mt) REVERT: M 493 MET cc_start: 0.8704 (mtm) cc_final: 0.8299 (mtm) REVERT: M 496 GLU cc_start: 0.8856 (pp20) cc_final: 0.8443 (tm-30) REVERT: M 498 ILE cc_start: 0.7721 (mt) cc_final: 0.7487 (mt) REVERT: M 500 GLN cc_start: 0.8906 (mm110) cc_final: 0.8600 (mm-40) REVERT: M 504 GLN cc_start: 0.8476 (tp40) cc_final: 0.7998 (tp40) REVERT: M 507 GLU cc_start: 0.9361 (mt-10) cc_final: 0.8962 (mm-30) REVERT: N 23 GLN cc_start: 0.8533 (mt0) cc_final: 0.8228 (pt0) REVERT: N 45 VAL cc_start: 0.7563 (m) cc_final: 0.7347 (m) REVERT: N 66 GLU cc_start: 0.6691 (mp0) cc_final: 0.6380 (mp0) REVERT: N 69 MET cc_start: 0.8614 (mmp) cc_final: 0.8124 (mmm) REVERT: N 73 ARG cc_start: 0.8051 (mtp180) cc_final: 0.7758 (mtp180) REVERT: N 101 VAL cc_start: 0.8297 (p) cc_final: 0.7683 (m) REVERT: N 147 PHE cc_start: 0.8952 (t80) cc_final: 0.8214 (t80) REVERT: N 149 ARG cc_start: 0.9135 (mtt180) cc_final: 0.8681 (mtt180) REVERT: N 150 TRP cc_start: 0.8846 (t60) cc_final: 0.7573 (t60) REVERT: N 171 ILE cc_start: 0.7155 (tp) cc_final: 0.6763 (mp) REVERT: N 180 ARG cc_start: 0.7593 (mtt90) cc_final: 0.6833 (mtt-85) REVERT: N 183 GLN cc_start: 0.8091 (tp-100) cc_final: 0.7663 (tp-100) REVERT: N 207 ILE cc_start: 0.8665 (tp) cc_final: 0.8355 (tp) REVERT: N 221 MET cc_start: 0.3741 (mmt) cc_final: 0.2902 (mmt) REVERT: N 276 ILE cc_start: 0.9022 (mt) cc_final: 0.8821 (mt) REVERT: N 366 ARG cc_start: 0.8699 (mtp-110) cc_final: 0.8237 (ptm160) REVERT: N 400 GLU cc_start: 0.9212 (mm-30) cc_final: 0.8739 (mm-30) REVERT: N 410 LEU cc_start: 0.8988 (mt) cc_final: 0.8652 (mp) REVERT: N 414 PHE cc_start: 0.9105 (t80) cc_final: 0.7427 (t80) REVERT: N 432 ILE cc_start: 0.9055 (mp) cc_final: 0.8825 (tp) REVERT: N 459 GLU cc_start: 0.9384 (mm-30) cc_final: 0.9168 (mm-30) REVERT: N 464 GLU cc_start: 0.9231 (tt0) cc_final: 0.8944 (tt0) REVERT: N 469 MET cc_start: 0.9330 (ttm) cc_final: 0.9128 (ttp) REVERT: N 507 GLU cc_start: 0.9111 (tt0) cc_final: 0.8529 (tm-30) REVERT: O 15 MET cc_start: 0.7643 (mtp) cc_final: 0.7410 (mtm) REVERT: O 69 MET cc_start: 0.8426 (mmm) cc_final: 0.7838 (mmm) REVERT: O 79 TYR cc_start: 0.9090 (m-80) cc_final: 0.8840 (m-80) REVERT: O 83 MET cc_start: 0.8575 (ttp) cc_final: 0.7856 (tpt) REVERT: O 103 GLU cc_start: 0.7455 (tm-30) cc_final: 0.7153 (tm-30) REVERT: O 113 LEU cc_start: 0.8046 (mp) cc_final: 0.6641 (mp) REVERT: O 137 LEU cc_start: 0.9683 (mt) cc_final: 0.9274 (mt) REVERT: O 146 HIS cc_start: 0.8797 (m-70) cc_final: 0.8293 (m90) REVERT: O 156 ILE cc_start: 0.9092 (tt) cc_final: 0.8687 (tt) REVERT: O 160 LYS cc_start: 0.9250 (ptpp) cc_final: 0.8717 (tmtt) REVERT: O 161 ILE cc_start: 0.8495 (mm) cc_final: 0.7914 (mm) REVERT: O 172 LYS cc_start: 0.7068 (mmtt) cc_final: 0.6620 (mtmt) REVERT: O 274 TYR cc_start: 0.9237 (t80) cc_final: 0.8581 (t80) REVERT: O 292 MET cc_start: 0.6760 (mtt) cc_final: 0.5825 (ttm) REVERT: O 334 TYR cc_start: 0.7486 (m-80) cc_final: 0.6355 (m-80) REVERT: O 350 LEU cc_start: 0.7286 (tt) cc_final: 0.6997 (tt) REVERT: O 360 GLU cc_start: 0.9550 (mt-10) cc_final: 0.9274 (mp0) REVERT: O 364 TRP cc_start: 0.9322 (t60) cc_final: 0.8891 (t60) REVERT: O 367 GLN cc_start: 0.9383 (mt0) cc_final: 0.8979 (mt0) REVERT: O 413 LYS cc_start: 0.9003 (mttp) cc_final: 0.8657 (ttmm) REVERT: O 416 GLU cc_start: 0.8213 (mm-30) cc_final: 0.7667 (tt0) REVERT: O 420 ASP cc_start: 0.9565 (t0) cc_final: 0.9364 (t0) REVERT: O 447 GLU cc_start: 0.8503 (mt-10) cc_final: 0.8204 (mp0) REVERT: O 469 MET cc_start: 0.9366 (mmp) cc_final: 0.8737 (ttm) REVERT: O 490 ILE cc_start: 0.9049 (mp) cc_final: 0.8556 (mp) REVERT: P 20 PHE cc_start: 0.9316 (t80) cc_final: 0.9111 (t80) REVERT: P 47 SER cc_start: 0.7356 (t) cc_final: 0.6799 (m) REVERT: P 80 ARG cc_start: 0.9031 (mmt90) cc_final: 0.8736 (mtp180) REVERT: P 105 ASP cc_start: 0.8954 (m-30) cc_final: 0.8730 (t70) REVERT: P 123 LYS cc_start: 0.9253 (pttp) cc_final: 0.8619 (ptpt) REVERT: P 125 MET cc_start: 0.9269 (mmm) cc_final: 0.9001 (mtt) REVERT: P 126 MET cc_start: 0.8326 (mtm) cc_final: 0.7687 (ptp) REVERT: P 132 ASP cc_start: 0.8705 (t0) cc_final: 0.8246 (m-30) REVERT: P 156 ILE cc_start: 0.8330 (tt) cc_final: 0.8027 (tt) REVERT: P 158 PHE cc_start: 0.9237 (m-80) cc_final: 0.8863 (m-80) REVERT: P 178 ASP cc_start: 0.8624 (t70) cc_final: 0.8202 (t70) REVERT: P 212 HIS cc_start: 0.6452 (p-80) cc_final: 0.6078 (p-80) REVERT: P 243 VAL cc_start: 0.7709 (p) cc_final: 0.7357 (t) REVERT: P 255 HIS cc_start: 0.9118 (t70) cc_final: 0.8843 (t70) REVERT: P 263 GLN cc_start: 0.9485 (tt0) cc_final: 0.9180 (tt0) REVERT: P 301 MET cc_start: 0.1915 (tpt) cc_final: 0.1253 (tpt) REVERT: P 330 MET cc_start: 0.6951 (tmm) cc_final: 0.6682 (tmm) REVERT: P 358 ASN cc_start: 0.8665 (m-40) cc_final: 0.7376 (t0) REVERT: P 359 MET cc_start: 0.8182 (mpp) cc_final: 0.7912 (mpp) REVERT: P 360 GLU cc_start: 0.8488 (pt0) cc_final: 0.7684 (pt0) REVERT: P 365 PHE cc_start: 0.9574 (m-80) cc_final: 0.9223 (m-80) REVERT: P 377 LEU cc_start: 0.9082 (mp) cc_final: 0.8874 (mp) REVERT: P 396 ILE cc_start: 0.8204 (tt) cc_final: 0.7736 (tt) REVERT: P 399 ASP cc_start: 0.9269 (m-30) cc_final: 0.9061 (m-30) REVERT: P 400 GLU cc_start: 0.8796 (mm-30) cc_final: 0.8421 (mm-30) REVERT: P 436 GLU cc_start: 0.8469 (mt-10) cc_final: 0.7805 (mm-30) REVERT: P 443 ASN cc_start: 0.9426 (t0) cc_final: 0.9089 (t0) REVERT: P 461 GLU cc_start: 0.8495 (mt-10) cc_final: 0.7851 (mt-10) REVERT: P 463 LEU cc_start: 0.8914 (tp) cc_final: 0.8677 (tp) REVERT: P 498 ILE cc_start: 0.8402 (mt) cc_final: 0.8080 (mt) REVERT: P 501 GLU cc_start: 0.9425 (mm-30) cc_final: 0.8556 (mm-30) REVERT: P 505 ILE cc_start: 0.7082 (mt) cc_final: 0.5875 (mt) outliers start: 6 outliers final: 0 residues processed: 7212 average time/residue: 1.0917 time to fit residues: 13855.2793 Evaluate side-chains 6225 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 0 poor density : 6225 time to evaluate : 10.088 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 1798 optimal weight: 4.9990 chunk 210 optimal weight: 0.7980 chunk 1062 optimal weight: 0.7980 chunk 1362 optimal weight: 9.9990 chunk 1055 optimal weight: 0.7980 chunk 1570 optimal weight: 5.9990 chunk 1041 optimal weight: 0.9990 chunk 1858 optimal weight: 10.0000 chunk 1162 optimal weight: 10.0000 chunk 1132 optimal weight: 0.0670 chunk 857 optimal weight: 5.9990 overall best weight: 0.6920 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 240 ASN ** c 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 78 ASN d 123 GLN d 180 HIS ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 303 ASN ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 257 GLN ** e 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 215 GLN ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 303 ASN g 381 ASN g 431 GLN h 78 ASN h 282 HIS ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 240 ASN ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 431 GLN ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 303 ASN ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 468 GLN ** m 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 236 GLN ** m 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** n 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 427 GLN ** n 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 171 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** q 115 GLN ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN q 381 ASN ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** r 257 GLN ** r 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 123 GLN ** s 381 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 157 GLN t 303 ASN ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 505 ASN ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 303 ASN ** u 311 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 215 GLN w 240 ASN ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 356 GLN ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 83 GLN x 118 ASN ** x 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 303 ASN y 78 ASN y 90 GLN y 105 ASN ** y 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN ** y 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN ** z 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 240 ASN B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 240 ASN ** C 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 240 ASN D 282 HIS ** D 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** E 324 GLN ** E 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 183 GLN ** G 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 212 HIS ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 181 GLN I 183 GLN I 239 HIS I 411 GLN I 483 HIS K 262 ASN ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 136 HIS ** L 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 310 ASN L 358 ASN L 411 GLN M 159 HIS ** M 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 438 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** P 159 HIS P 183 GLN ** P 303 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 61 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7162 moved from start: 0.6362 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.072 153284 Z= 0.200 Angle : 0.682 12.403 207272 Z= 0.367 Chirality : 0.048 0.389 22633 Planarity : 0.005 0.114 27252 Dihedral : 5.462 41.211 21163 Min Nonbonded Distance : 2.019 Molprobity Statistics. All-atom Clashscore : 20.89 Ramachandran Plot: Outliers : 0.11 % Allowed : 8.08 % Favored : 91.82 % Rotamer: Outliers : 0.07 % Allowed : 1.06 % Favored : 98.87 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.13 (0.06), residues: 19365 helix: 0.87 (0.07), residues: 5988 sheet: -1.41 (0.09), residues: 3073 loop : -1.54 (0.06), residues: 10304 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.063 0.002 TRP k 247 HIS 0.013 0.001 HIS d 180 PHE 0.041 0.002 PHE y 154 TYR 0.058 0.002 TYR F 184 ARG 0.015 0.001 ARG r 380 *********************** REFINEMENT MACRO_CYCLE 7 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7135 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 11 poor density : 7124 time to evaluate : 10.084 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.7907 (m-70) cc_final: 0.7239 (m170) REVERT: a 79 ILE cc_start: 0.8126 (mt) cc_final: 0.7866 (mt) REVERT: a 83 GLN cc_start: 0.8655 (tp40) cc_final: 0.8096 (tm-30) REVERT: a 99 VAL cc_start: 0.8777 (t) cc_final: 0.8499 (t) REVERT: a 117 MET cc_start: 0.7298 (ttm) cc_final: 0.7026 (ttm) REVERT: a 134 ASP cc_start: 0.8445 (t0) cc_final: 0.8103 (t0) REVERT: a 142 GLU cc_start: 0.8605 (pt0) cc_final: 0.7908 (pt0) REVERT: a 147 MET cc_start: 0.8254 (mmm) cc_final: 0.7909 (mmt) REVERT: a 199 ASP cc_start: 0.8709 (t70) cc_final: 0.8258 (t0) REVERT: a 223 GLU cc_start: 0.7394 (tt0) cc_final: 0.6611 (tm-30) REVERT: a 256 LYS cc_start: 0.8655 (ptmt) cc_final: 0.8393 (ptmt) REVERT: a 289 GLU cc_start: 0.9223 (tm-30) cc_final: 0.8793 (tm-30) REVERT: a 294 LEU cc_start: 0.9416 (mt) cc_final: 0.9132 (mt) REVERT: a 301 GLU cc_start: 0.9412 (tt0) cc_final: 0.9138 (tt0) REVERT: a 334 PHE cc_start: 0.9121 (m-80) cc_final: 0.8686 (m-80) REVERT: a 336 ASP cc_start: 0.8148 (t0) cc_final: 0.7708 (t0) REVERT: a 345 TRP cc_start: 0.8854 (p-90) cc_final: 0.7203 (p-90) REVERT: a 350 PHE cc_start: 0.9393 (m-80) cc_final: 0.9058 (m-80) REVERT: a 363 GLU cc_start: 0.9122 (tp30) cc_final: 0.7479 (tp30) REVERT: a 364 ILE cc_start: 0.9468 (mm) cc_final: 0.9214 (mm) REVERT: a 376 ILE cc_start: 0.9318 (tt) cc_final: 0.9085 (tt) REVERT: a 400 LEU cc_start: 0.8954 (mt) cc_final: 0.8740 (mt) REVERT: a 404 PHE cc_start: 0.8231 (m-80) cc_final: 0.7486 (m-80) REVERT: a 423 VAL cc_start: 0.9633 (t) cc_final: 0.9344 (t) REVERT: a 426 ASP cc_start: 0.9549 (t0) cc_final: 0.9253 (t0) REVERT: a 430 LYS cc_start: 0.9243 (mmpt) cc_final: 0.8859 (mmpt) REVERT: a 432 ASP cc_start: 0.8314 (t70) cc_final: 0.7893 (t70) REVERT: a 442 ASN cc_start: 0.8637 (t0) cc_final: 0.8259 (t0) REVERT: a 443 GLU cc_start: 0.8647 (mm-30) cc_final: 0.8370 (mm-30) REVERT: a 449 TYR cc_start: 0.8201 (m-10) cc_final: 0.7887 (m-80) REVERT: a 471 MET cc_start: 0.8146 (ppp) cc_final: 0.7899 (ppp) REVERT: a 481 ILE cc_start: 0.9356 (pt) cc_final: 0.8576 (pt) REVERT: a 490 GLN cc_start: 0.8600 (mm-40) cc_final: 0.7755 (mm-40) REVERT: b 105 ASN cc_start: 0.8849 (m-40) cc_final: 0.8621 (m-40) REVERT: b 133 LYS cc_start: 0.8214 (mtpp) cc_final: 0.7667 (tptt) REVERT: b 147 MET cc_start: 0.8004 (mtm) cc_final: 0.7522 (mtm) REVERT: b 153 MET cc_start: 0.8692 (mpp) cc_final: 0.8261 (mpp) REVERT: b 182 PHE cc_start: 0.8535 (m-80) cc_final: 0.8050 (m-80) REVERT: b 199 ASP cc_start: 0.8768 (t0) cc_final: 0.8468 (t0) REVERT: b 207 LYS cc_start: 0.9032 (mttt) cc_final: 0.8749 (mtmt) REVERT: b 209 ASP cc_start: 0.8912 (m-30) cc_final: 0.8332 (m-30) REVERT: b 221 LEU cc_start: 0.9420 (mt) cc_final: 0.9169 (mt) REVERT: b 232 ILE cc_start: 0.9360 (mt) cc_final: 0.9060 (mt) REVERT: b 247 TRP cc_start: 0.7747 (m100) cc_final: 0.6373 (m100) REVERT: b 252 PHE cc_start: 0.8496 (p90) cc_final: 0.8218 (p90) REVERT: b 285 ASP cc_start: 0.6944 (m-30) cc_final: 0.6521 (p0) REVERT: b 294 LEU cc_start: 0.9647 (mt) cc_final: 0.9249 (mt) REVERT: b 311 ASN cc_start: 0.9305 (m-40) cc_final: 0.8892 (m-40) REVERT: b 334 PHE cc_start: 0.7441 (m-80) cc_final: 0.7200 (m-80) REVERT: b 350 PHE cc_start: 0.9571 (m-10) cc_final: 0.9128 (m-10) REVERT: b 351 LYS cc_start: 0.9649 (mtmm) cc_final: 0.8790 (mtmm) REVERT: b 380 ARG cc_start: 0.8262 (mtt90) cc_final: 0.7687 (mtt-85) REVERT: b 390 ASP cc_start: 0.8684 (t70) cc_final: 0.8436 (t70) REVERT: b 404 PHE cc_start: 0.7931 (m-80) cc_final: 0.7470 (m-80) REVERT: b 426 ASP cc_start: 0.8547 (t0) cc_final: 0.8129 (t0) REVERT: b 427 GLN cc_start: 0.9109 (pt0) cc_final: 0.8688 (pt0) REVERT: b 428 TYR cc_start: 0.9423 (m-80) cc_final: 0.8519 (m-80) REVERT: b 442 ASN cc_start: 0.8732 (t0) cc_final: 0.8449 (t0) REVERT: b 483 PRO cc_start: 0.9334 (Cg_exo) cc_final: 0.8815 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8766 (m-80) cc_final: 0.7979 (m-80) REVERT: b 486 GLU cc_start: 0.9127 (pm20) cc_final: 0.8502 (tm-30) REVERT: b 509 LYS cc_start: 0.8967 (mttt) cc_final: 0.8709 (mttm) REVERT: b 510 ASN cc_start: 0.9495 (t0) cc_final: 0.8798 (p0) REVERT: b 512 TYR cc_start: 0.9318 (m-80) cc_final: 0.8818 (m-80) REVERT: b 513 PHE cc_start: 0.9127 (m-80) cc_final: 0.8463 (m-80) REVERT: c 183 GLN cc_start: 0.9196 (tm-30) cc_final: 0.8917 (tm-30) REVERT: c 213 LYS cc_start: 0.9119 (pttm) cc_final: 0.8907 (pttm) REVERT: c 250 MET cc_start: 0.7612 (mpp) cc_final: 0.7146 (mpp) REVERT: c 289 GLU cc_start: 0.9612 (tp30) cc_final: 0.9327 (tm-30) REVERT: c 293 ILE cc_start: 0.9393 (mt) cc_final: 0.9021 (mt) REVERT: c 294 LEU cc_start: 0.9652 (mt) cc_final: 0.9326 (mt) REVERT: c 301 GLU cc_start: 0.9159 (mt-10) cc_final: 0.8120 (mm-30) REVERT: c 305 GLU cc_start: 0.9313 (tt0) cc_final: 0.8890 (tt0) REVERT: c 333 ASP cc_start: 0.8932 (t0) cc_final: 0.8701 (t0) REVERT: c 336 ASP cc_start: 0.8075 (t0) cc_final: 0.7690 (t0) REVERT: c 363 GLU cc_start: 0.8710 (tp30) cc_final: 0.8195 (tp30) REVERT: c 366 ARG cc_start: 0.8695 (ttm-80) cc_final: 0.8023 (ttm-80) REVERT: c 367 GLN cc_start: 0.8247 (mm-40) cc_final: 0.7983 (mm-40) REVERT: c 390 ASP cc_start: 0.8352 (t0) cc_final: 0.8058 (t0) REVERT: c 400 LEU cc_start: 0.9632 (mt) cc_final: 0.9373 (mt) REVERT: c 459 LEU cc_start: 0.7950 (mt) cc_final: 0.7387 (tt) REVERT: c 463 ASP cc_start: 0.8883 (t0) cc_final: 0.8631 (t0) REVERT: c 477 TYR cc_start: 0.8593 (p90) cc_final: 0.8195 (p90) REVERT: c 512 TYR cc_start: 0.9558 (m-80) cc_final: 0.9191 (m-80) REVERT: c 514 ARG cc_start: 0.8805 (mmm-85) cc_final: 0.7876 (ttt-90) REVERT: d 74 TYR cc_start: 0.7711 (m-10) cc_final: 0.7488 (m-10) REVERT: d 96 MET cc_start: 0.8582 (tpp) cc_final: 0.8088 (tpp) REVERT: d 105 ASN cc_start: 0.8542 (m-40) cc_final: 0.7898 (m110) REVERT: d 182 PHE cc_start: 0.8918 (m-80) cc_final: 0.8007 (m-80) REVERT: d 189 TYR cc_start: 0.8341 (m-80) cc_final: 0.7203 (m-80) REVERT: d 209 ASP cc_start: 0.8439 (m-30) cc_final: 0.7372 (m-30) REVERT: d 211 GLU cc_start: 0.9289 (tt0) cc_final: 0.8629 (tp30) REVERT: d 216 MET cc_start: 0.9085 (mtp) cc_final: 0.8755 (mtt) REVERT: d 250 MET cc_start: 0.8924 (mpp) cc_final: 0.8298 (mpp) REVERT: d 252 PHE cc_start: 0.6911 (p90) cc_final: 0.6123 (p90) REVERT: d 272 ILE cc_start: 0.8634 (mt) cc_final: 0.8353 (mt) REVERT: d 279 ARG cc_start: 0.8358 (ttm-80) cc_final: 0.8025 (tpp80) REVERT: d 284 MET cc_start: 0.8660 (mmm) cc_final: 0.8188 (mmm) REVERT: d 305 GLU cc_start: 0.9087 (tt0) cc_final: 0.8738 (tt0) REVERT: d 318 LYS cc_start: 0.9450 (tptp) cc_final: 0.9008 (tttt) REVERT: d 328 LYS cc_start: 0.8103 (mmpt) cc_final: 0.7599 (tptp) REVERT: d 332 PHE cc_start: 0.9125 (t80) cc_final: 0.8310 (t80) REVERT: d 333 ASP cc_start: 0.7687 (t0) cc_final: 0.7196 (t0) REVERT: d 334 PHE cc_start: 0.8168 (m-80) cc_final: 0.7295 (m-80) REVERT: d 336 ASP cc_start: 0.8777 (t0) cc_final: 0.8173 (t0) REVERT: d 363 GLU cc_start: 0.9271 (tp30) cc_final: 0.8705 (tp30) REVERT: d 384 ASN cc_start: 0.9098 (m-40) cc_final: 0.8854 (m-40) REVERT: d 390 ASP cc_start: 0.8948 (t0) cc_final: 0.8579 (t0) REVERT: d 391 THR cc_start: 0.9478 (p) cc_final: 0.9052 (t) REVERT: d 405 SER cc_start: 0.9366 (t) cc_final: 0.8891 (p) REVERT: d 407 ASP cc_start: 0.9254 (m-30) cc_final: 0.8992 (p0) REVERT: d 412 VAL cc_start: 0.9242 (m) cc_final: 0.8939 (m) REVERT: d 424 TYR cc_start: 0.8875 (m-80) cc_final: 0.7523 (m-10) REVERT: d 432 ASP cc_start: 0.8098 (p0) cc_final: 0.7761 (p0) REVERT: d 515 ARG cc_start: 0.8818 (tmm160) cc_final: 0.8273 (tmm-80) REVERT: e 105 ASN cc_start: 0.9101 (t0) cc_final: 0.8730 (m110) REVERT: e 123 GLN cc_start: 0.9186 (pt0) cc_final: 0.8674 (pt0) REVERT: e 147 MET cc_start: 0.8622 (mmt) cc_final: 0.8147 (mmm) REVERT: e 207 LYS cc_start: 0.9232 (mptt) cc_final: 0.8931 (mttm) REVERT: e 213 LYS cc_start: 0.8989 (pttt) cc_final: 0.8761 (pttt) REVERT: e 228 MET cc_start: 0.8630 (ttp) cc_final: 0.7688 (ttp) REVERT: e 252 PHE cc_start: 0.9544 (p90) cc_final: 0.8914 (p90) REVERT: e 253 ARG cc_start: 0.7885 (ttp-170) cc_final: 0.7030 (ttm170) REVERT: e 266 LEU cc_start: 0.9695 (mt) cc_final: 0.9231 (mt) REVERT: e 303 ASN cc_start: 0.9321 (m-40) cc_final: 0.8933 (m-40) REVERT: e 309 TRP cc_start: 0.9031 (m100) cc_final: 0.8793 (m100) REVERT: e 344 ARG cc_start: 0.7901 (mmt180) cc_final: 0.7427 (mmt90) REVERT: e 359 LYS cc_start: 0.9470 (mtpt) cc_final: 0.9136 (mtpt) REVERT: e 363 GLU cc_start: 0.9295 (tp30) cc_final: 0.8268 (tp30) REVERT: e 391 THR cc_start: 0.9213 (p) cc_final: 0.8973 (p) REVERT: e 400 LEU cc_start: 0.9222 (mt) cc_final: 0.9010 (mt) REVERT: e 405 SER cc_start: 0.9044 (m) cc_final: 0.8555 (p) REVERT: e 426 ASP cc_start: 0.9318 (t0) cc_final: 0.9031 (t0) REVERT: e 442 ASN cc_start: 0.9305 (t0) cc_final: 0.9102 (t0) REVERT: e 452 PRO cc_start: 0.9277 (Cg_endo) cc_final: 0.8327 (Cg_exo) REVERT: e 453 TYR cc_start: 0.8019 (t80) cc_final: 0.7693 (t80) REVERT: e 463 ASP cc_start: 0.9277 (t0) cc_final: 0.9005 (t0) REVERT: e 471 MET cc_start: 0.7135 (tmm) cc_final: 0.6612 (tmm) REVERT: e 474 LYS cc_start: 0.9270 (mtpp) cc_final: 0.8971 (mtpt) REVERT: e 481 ILE cc_start: 0.9413 (pt) cc_final: 0.9180 (pt) REVERT: e 482 ASN cc_start: 0.8855 (t0) cc_final: 0.8350 (p0) REVERT: e 497 GLN cc_start: 0.8683 (mm-40) cc_final: 0.8406 (mm-40) REVERT: e 500 MET cc_start: 0.8628 (mtm) cc_final: 0.8050 (mpp) REVERT: e 510 ASN cc_start: 0.9162 (t0) cc_final: 0.8944 (t0) REVERT: e 513 PHE cc_start: 0.9415 (m-80) cc_final: 0.8662 (m-80) REVERT: f 98 MET cc_start: 0.5199 (ptt) cc_final: 0.4390 (ptt) REVERT: f 124 VAL cc_start: 0.8815 (p) cc_final: 0.8535 (p) REVERT: f 131 TYR cc_start: 0.8075 (p90) cc_final: 0.7710 (p90) REVERT: f 145 HIS cc_start: 0.9054 (t-90) cc_final: 0.7897 (t-90) REVERT: f 147 MET cc_start: 0.8454 (mmm) cc_final: 0.7421 (mmm) REVERT: f 148 TYR cc_start: 0.9140 (m-80) cc_final: 0.8823 (m-80) REVERT: f 166 LEU cc_start: 0.9487 (mt) cc_final: 0.9183 (mt) REVERT: f 198 ILE cc_start: 0.9213 (mt) cc_final: 0.8894 (mt) REVERT: f 199 ASP cc_start: 0.8794 (t0) cc_final: 0.8351 (t0) REVERT: f 211 GLU cc_start: 0.9167 (tt0) cc_final: 0.8614 (tt0) REVERT: f 245 ASN cc_start: 0.8490 (m-40) cc_final: 0.8207 (m110) REVERT: f 247 TRP cc_start: 0.8905 (m-10) cc_final: 0.8564 (m100) REVERT: f 250 MET cc_start: 0.8668 (mtp) cc_final: 0.8450 (mtp) REVERT: f 252 PHE cc_start: 0.8604 (p90) cc_final: 0.8393 (p90) REVERT: f 267 LYS cc_start: 0.9105 (pttt) cc_final: 0.8899 (pttm) REVERT: f 277 ASP cc_start: 0.9555 (m-30) cc_final: 0.9240 (m-30) REVERT: f 299 MET cc_start: 0.8844 (mmm) cc_final: 0.8479 (mmm) REVERT: f 303 ASN cc_start: 0.8817 (t0) cc_final: 0.8449 (t0) REVERT: f 304 ARG cc_start: 0.9022 (mmm160) cc_final: 0.8373 (mmm160) REVERT: f 318 LYS cc_start: 0.9293 (mttm) cc_final: 0.9076 (mttm) REVERT: f 334 PHE cc_start: 0.9353 (m-80) cc_final: 0.8951 (m-80) REVERT: f 338 ILE cc_start: 0.9716 (mm) cc_final: 0.9349 (tp) REVERT: f 359 LYS cc_start: 0.9501 (tttt) cc_final: 0.9181 (mtmm) REVERT: f 375 PHE cc_start: 0.9477 (p90) cc_final: 0.9244 (p90) REVERT: f 386 LEU cc_start: 0.9782 (mt) cc_final: 0.9557 (mt) REVERT: f 390 ASP cc_start: 0.9080 (t0) cc_final: 0.8799 (t0) REVERT: f 417 LEU cc_start: 0.9479 (tp) cc_final: 0.9218 (tp) REVERT: f 426 ASP cc_start: 0.9089 (t0) cc_final: 0.8502 (t0) REVERT: f 428 TYR cc_start: 0.9597 (m-80) cc_final: 0.9075 (m-80) REVERT: f 442 ASN cc_start: 0.8275 (p0) cc_final: 0.7900 (p0) REVERT: f 462 SER cc_start: 0.9063 (p) cc_final: 0.8783 (t) REVERT: f 463 ASP cc_start: 0.8900 (t0) cc_final: 0.8582 (t70) REVERT: f 495 ARG cc_start: 0.8063 (ptm160) cc_final: 0.7855 (ptm160) REVERT: f 510 ASN cc_start: 0.9109 (t0) cc_final: 0.8315 (t0) REVERT: f 513 PHE cc_start: 0.9255 (m-80) cc_final: 0.8760 (m-80) REVERT: g 110 ASP cc_start: 0.7860 (m-30) cc_final: 0.7238 (t0) REVERT: g 128 ARG cc_start: 0.8470 (mtt-85) cc_final: 0.7692 (mtt180) REVERT: g 131 TYR cc_start: 0.8519 (p90) cc_final: 0.8235 (p90) REVERT: g 134 ASP cc_start: 0.8610 (t0) cc_final: 0.8287 (t0) REVERT: g 142 GLU cc_start: 0.8236 (tt0) cc_final: 0.7406 (tt0) REVERT: g 145 HIS cc_start: 0.9355 (t-90) cc_final: 0.8590 (t-90) REVERT: g 147 MET cc_start: 0.8986 (tpt) cc_final: 0.8340 (tpt) REVERT: g 148 TYR cc_start: 0.9255 (m-80) cc_final: 0.8065 (m-80) REVERT: g 176 ASP cc_start: 0.7933 (t0) cc_final: 0.7542 (p0) REVERT: g 180 HIS cc_start: 0.7811 (t70) cc_final: 0.7512 (t70) REVERT: g 199 ASP cc_start: 0.8097 (t0) cc_final: 0.7821 (t0) REVERT: g 212 ILE cc_start: 0.9745 (mt) cc_final: 0.9343 (mt) REVERT: g 216 MET cc_start: 0.9656 (mtm) cc_final: 0.9160 (mtm) REVERT: g 245 ASN cc_start: 0.8424 (t0) cc_final: 0.8155 (t0) REVERT: g 249 GLU cc_start: 0.7135 (pm20) cc_final: 0.6599 (pm20) REVERT: g 250 MET cc_start: 0.8779 (mtp) cc_final: 0.8440 (mtm) REVERT: g 273 GLU cc_start: 0.9013 (mp0) cc_final: 0.7849 (tp30) REVERT: g 299 MET cc_start: 0.8881 (ttt) cc_final: 0.8580 (ttt) REVERT: g 351 LYS cc_start: 0.9338 (mmtt) cc_final: 0.9121 (mmtt) REVERT: g 362 VAL cc_start: 0.9869 (t) cc_final: 0.9451 (t) REVERT: g 404 PHE cc_start: 0.9250 (m-80) cc_final: 0.8767 (m-80) REVERT: g 426 ASP cc_start: 0.8689 (t0) cc_final: 0.8165 (t0) REVERT: g 442 ASN cc_start: 0.8946 (t0) cc_final: 0.8656 (t0) REVERT: g 444 MET cc_start: 0.9450 (mmm) cc_final: 0.8723 (mmt) REVERT: g 449 TYR cc_start: 0.8599 (m-80) cc_final: 0.7900 (m-80) REVERT: g 476 ARG cc_start: 0.8529 (mtp180) cc_final: 0.7509 (mtm180) REVERT: g 481 ILE cc_start: 0.9405 (mp) cc_final: 0.9113 (mp) REVERT: g 509 LYS cc_start: 0.9489 (mtmm) cc_final: 0.9226 (pttm) REVERT: g 513 PHE cc_start: 0.9451 (m-80) cc_final: 0.8953 (m-80) REVERT: g 514 ARG cc_start: 0.8459 (mtp85) cc_final: 0.7354 (mmm-85) REVERT: h 112 CYS cc_start: 0.9383 (m) cc_final: 0.8969 (t) REVERT: h 142 GLU cc_start: 0.7463 (tt0) cc_final: 0.7164 (tt0) REVERT: h 151 ASP cc_start: 0.8375 (t0) cc_final: 0.7613 (t70) REVERT: h 153 MET cc_start: 0.9142 (mpp) cc_final: 0.8701 (mpp) REVERT: h 166 LEU cc_start: 0.9432 (mt) cc_final: 0.8913 (mt) REVERT: h 180 HIS cc_start: 0.8603 (t-90) cc_final: 0.8244 (t-90) REVERT: h 194 VAL cc_start: 0.8972 (t) cc_final: 0.8658 (p) REVERT: h 198 ILE cc_start: 0.8891 (tt) cc_final: 0.8249 (tt) REVERT: h 204 ASP cc_start: 0.8973 (t0) cc_final: 0.8705 (t70) REVERT: h 211 GLU cc_start: 0.9134 (tp30) cc_final: 0.8558 (tp30) REVERT: h 212 ILE cc_start: 0.9657 (mt) cc_final: 0.9449 (mt) REVERT: h 215 GLN cc_start: 0.9596 (mt0) cc_final: 0.9141 (mm110) REVERT: h 216 MET cc_start: 0.9552 (tmm) cc_final: 0.9315 (tpt) REVERT: h 228 MET cc_start: 0.7387 (ptp) cc_final: 0.6942 (ptp) REVERT: h 247 TRP cc_start: 0.8860 (m-10) cc_final: 0.7865 (m100) REVERT: h 250 MET cc_start: 0.8919 (mtm) cc_final: 0.7876 (ptm) REVERT: h 257 GLN cc_start: 0.9051 (pt0) cc_final: 0.8704 (pt0) REVERT: h 258 VAL cc_start: 0.9690 (p) cc_final: 0.9329 (p) REVERT: h 304 ARG cc_start: 0.8963 (tpm170) cc_final: 0.8675 (tpm170) REVERT: h 345 TRP cc_start: 0.8544 (p-90) cc_final: 0.6487 (p-90) REVERT: h 357 ILE cc_start: 0.9686 (mt) cc_final: 0.9397 (mt) REVERT: h 360 GLU cc_start: 0.9671 (mt-10) cc_final: 0.9261 (mt-10) REVERT: h 363 GLU cc_start: 0.9487 (tp30) cc_final: 0.8954 (tp30) REVERT: h 404 PHE cc_start: 0.7004 (m-80) cc_final: 0.6418 (m-80) REVERT: h 426 ASP cc_start: 0.9338 (t0) cc_final: 0.8561 (t0) REVERT: h 432 ASP cc_start: 0.7992 (t0) cc_final: 0.7473 (t70) REVERT: h 442 ASN cc_start: 0.8617 (t0) cc_final: 0.8259 (t0) REVERT: h 457 THR cc_start: 0.9101 (m) cc_final: 0.8862 (p) REVERT: h 484 PHE cc_start: 0.9158 (m-10) cc_final: 0.8546 (m-10) REVERT: h 504 LEU cc_start: 0.8981 (mt) cc_final: 0.8634 (tt) REVERT: i 71 ASP cc_start: 0.7572 (t0) cc_final: 0.6964 (t0) REVERT: i 90 GLN cc_start: 0.8189 (mm-40) cc_final: 0.7708 (mp10) REVERT: i 103 ILE cc_start: 0.8362 (mt) cc_final: 0.7648 (mt) REVERT: i 110 ASP cc_start: 0.8228 (m-30) cc_final: 0.7917 (m-30) REVERT: i 145 HIS cc_start: 0.8696 (t-90) cc_final: 0.7359 (t-90) REVERT: i 147 MET cc_start: 0.8380 (mmm) cc_final: 0.7867 (mmm) REVERT: i 148 TYR cc_start: 0.8692 (m-80) cc_final: 0.7840 (m-80) REVERT: i 151 ASP cc_start: 0.8774 (t0) cc_final: 0.8463 (t0) REVERT: i 179 THR cc_start: 0.7872 (p) cc_final: 0.7409 (p) REVERT: i 180 HIS cc_start: 0.9008 (t70) cc_final: 0.8706 (t70) REVERT: i 191 GLN cc_start: 0.9585 (tt0) cc_final: 0.9297 (tp-100) REVERT: i 198 ILE cc_start: 0.9394 (mp) cc_final: 0.9193 (mp) REVERT: i 199 ASP cc_start: 0.7949 (t70) cc_final: 0.7740 (t70) REVERT: i 224 ILE cc_start: 0.8601 (tp) cc_final: 0.8352 (tp) REVERT: i 250 MET cc_start: 0.7648 (mtm) cc_final: 0.6626 (ptp) REVERT: i 257 GLN cc_start: 0.8634 (pt0) cc_final: 0.8371 (pt0) REVERT: i 289 GLU cc_start: 0.9285 (mm-30) cc_final: 0.9027 (mm-30) REVERT: i 300 LEU cc_start: 0.9040 (mt) cc_final: 0.8805 (mt) REVERT: i 336 ASP cc_start: 0.7546 (t0) cc_final: 0.7203 (t0) REVERT: i 348 GLU cc_start: 0.8905 (mt-10) cc_final: 0.8055 (mp0) REVERT: i 351 LYS cc_start: 0.9418 (ttmt) cc_final: 0.9152 (ttpt) REVERT: i 359 LYS cc_start: 0.9762 (ptmt) cc_final: 0.9235 (pptt) REVERT: i 390 ASP cc_start: 0.8962 (t0) cc_final: 0.8648 (t0) REVERT: i 426 ASP cc_start: 0.8964 (t0) cc_final: 0.8555 (t0) REVERT: i 444 MET cc_start: 0.8739 (mmm) cc_final: 0.8121 (tpp) REVERT: i 448 ILE cc_start: 0.9017 (mm) cc_final: 0.8780 (mm) REVERT: i 463 ASP cc_start: 0.9330 (t0) cc_final: 0.9095 (t0) REVERT: i 513 PHE cc_start: 0.8844 (m-10) cc_final: 0.8358 (m-10) REVERT: i 514 ARG cc_start: 0.5797 (mmm160) cc_final: 0.5461 (mmm-85) REVERT: j 68 ILE cc_start: 0.9495 (mp) cc_final: 0.8935 (mp) REVERT: j 105 ASN cc_start: 0.9028 (t0) cc_final: 0.8780 (m-40) REVERT: j 117 MET cc_start: 0.7635 (mmt) cc_final: 0.7168 (mmm) REVERT: j 131 TYR cc_start: 0.8919 (p90) cc_final: 0.8580 (p90) REVERT: j 144 PHE cc_start: 0.8961 (m-80) cc_final: 0.7993 (m-80) REVERT: j 147 MET cc_start: 0.8603 (mtt) cc_final: 0.7937 (mmm) REVERT: j 153 MET cc_start: 0.9079 (ttp) cc_final: 0.8842 (ttm) REVERT: j 154 PHE cc_start: 0.9007 (t80) cc_final: 0.8523 (t80) REVERT: j 182 PHE cc_start: 0.9375 (m-80) cc_final: 0.8139 (m-80) REVERT: j 209 ASP cc_start: 0.9545 (m-30) cc_final: 0.8989 (m-30) REVERT: j 213 LYS cc_start: 0.9188 (mttt) cc_final: 0.8968 (mttt) REVERT: j 215 GLN cc_start: 0.9204 (mm110) cc_final: 0.8913 (mm110) REVERT: j 216 MET cc_start: 0.8983 (mmm) cc_final: 0.8615 (mmm) REVERT: j 228 MET cc_start: 0.7593 (ppp) cc_final: 0.7014 (ppp) REVERT: j 250 MET cc_start: 0.8182 (mtp) cc_final: 0.7125 (ptm) REVERT: j 259 ILE cc_start: 0.8749 (pt) cc_final: 0.8338 (pt) REVERT: j 267 LYS cc_start: 0.9018 (pptt) cc_final: 0.8809 (pptt) REVERT: j 305 GLU cc_start: 0.9376 (tt0) cc_final: 0.8850 (tt0) REVERT: j 309 TRP cc_start: 0.9351 (m100) cc_final: 0.9031 (m100) REVERT: j 318 LYS cc_start: 0.8854 (ttpt) cc_final: 0.7990 (ptmt) REVERT: j 336 ASP cc_start: 0.7124 (t0) cc_final: 0.6563 (t70) REVERT: j 350 PHE cc_start: 0.9585 (m-10) cc_final: 0.9351 (m-10) REVERT: j 395 TYR cc_start: 0.7509 (t80) cc_final: 0.7098 (t80) REVERT: j 404 PHE cc_start: 0.8035 (m-80) cc_final: 0.7232 (m-80) REVERT: j 417 LEU cc_start: 0.9093 (tp) cc_final: 0.8879 (tp) REVERT: j 420 LYS cc_start: 0.8716 (tptp) cc_final: 0.8196 (tptp) REVERT: j 459 LEU cc_start: 0.8085 (mt) cc_final: 0.7795 (mt) REVERT: k 105 ASN cc_start: 0.8584 (m110) cc_final: 0.8040 (m110) REVERT: k 110 ASP cc_start: 0.8734 (t0) cc_final: 0.8147 (t0) REVERT: k 115 GLN cc_start: 0.9294 (tp40) cc_final: 0.9035 (tm-30) REVERT: k 118 ASN cc_start: 0.9359 (p0) cc_final: 0.8821 (p0) REVERT: k 119 SER cc_start: 0.9598 (p) cc_final: 0.9154 (m) REVERT: k 124 VAL cc_start: 0.9589 (p) cc_final: 0.9373 (p) REVERT: k 125 PHE cc_start: 0.8135 (m-80) cc_final: 0.7844 (m-80) REVERT: k 183 GLN cc_start: 0.8802 (mt0) cc_final: 0.8564 (mp10) REVERT: k 189 TYR cc_start: 0.8417 (m-80) cc_final: 0.7228 (m-80) REVERT: k 199 ASP cc_start: 0.6968 (t0) cc_final: 0.6474 (t0) REVERT: k 212 ILE cc_start: 0.9793 (mt) cc_final: 0.9536 (mt) REVERT: k 247 TRP cc_start: 0.8352 (m-90) cc_final: 0.7502 (m-90) REVERT: k 274 LEU cc_start: 0.9552 (tp) cc_final: 0.9280 (tp) REVERT: k 279 ARG cc_start: 0.9097 (tpt170) cc_final: 0.8470 (mtp180) REVERT: k 282 HIS cc_start: 0.8838 (t-170) cc_final: 0.8633 (t-170) REVERT: k 297 GLU cc_start: 0.9205 (mm-30) cc_final: 0.8461 (mm-30) REVERT: k 311 ASN cc_start: 0.9648 (m-40) cc_final: 0.9125 (t0) REVERT: k 324 THR cc_start: 0.9177 (m) cc_final: 0.8770 (p) REVERT: k 336 ASP cc_start: 0.8425 (t0) cc_final: 0.8086 (t0) REVERT: k 351 LYS cc_start: 0.9383 (mttm) cc_final: 0.8770 (mttm) REVERT: k 354 LEU cc_start: 0.9432 (mt) cc_final: 0.9101 (mt) REVERT: k 359 LYS cc_start: 0.9525 (tttt) cc_final: 0.9316 (tttt) REVERT: k 384 ASN cc_start: 0.9371 (m-40) cc_final: 0.9118 (m-40) REVERT: k 390 ASP cc_start: 0.9328 (t0) cc_final: 0.8959 (t70) REVERT: k 391 THR cc_start: 0.9527 (p) cc_final: 0.9185 (t) REVERT: k 398 GLN cc_start: 0.9146 (tp40) cc_final: 0.8820 (tp-100) REVERT: k 404 PHE cc_start: 0.8963 (m-80) cc_final: 0.8674 (m-80) REVERT: k 407 ASP cc_start: 0.8682 (t0) cc_final: 0.8447 (t0) REVERT: k 421 TYR cc_start: 0.8794 (m-10) cc_final: 0.8523 (m-10) REVERT: k 442 ASN cc_start: 0.8665 (t0) cc_final: 0.8183 (t0) REVERT: k 443 GLU cc_start: 0.9070 (tp30) cc_final: 0.8673 (tp30) REVERT: k 444 MET cc_start: 0.8729 (mtp) cc_final: 0.8144 (mtp) REVERT: k 449 TYR cc_start: 0.9149 (m-80) cc_final: 0.7804 (m-80) REVERT: k 453 TYR cc_start: 0.7804 (t80) cc_final: 0.7604 (t80) REVERT: k 471 MET cc_start: 0.7217 (tmm) cc_final: 0.6792 (tmm) REVERT: k 473 PHE cc_start: 0.7894 (m-80) cc_final: 0.6693 (m-80) REVERT: k 481 ILE cc_start: 0.8762 (mp) cc_final: 0.8363 (mp) REVERT: k 482 ASN cc_start: 0.9308 (t0) cc_final: 0.8864 (t0) REVERT: k 484 PHE cc_start: 0.8241 (m-80) cc_final: 0.7977 (m-80) REVERT: k 513 PHE cc_start: 0.8897 (m-80) cc_final: 0.8452 (m-80) REVERT: l 72 HIS cc_start: 0.7909 (m-70) cc_final: 0.7534 (m90) REVERT: l 98 MET cc_start: 0.7832 (ppp) cc_final: 0.7204 (ppp) REVERT: l 105 ASN cc_start: 0.9287 (t0) cc_final: 0.8922 (p0) REVERT: l 144 PHE cc_start: 0.9272 (m-80) cc_final: 0.7788 (m-80) REVERT: l 145 HIS cc_start: 0.9294 (t-170) cc_final: 0.7638 (t70) REVERT: l 147 MET cc_start: 0.8621 (mmp) cc_final: 0.7904 (mmp) REVERT: l 148 TYR cc_start: 0.8623 (m-10) cc_final: 0.7932 (m-10) REVERT: l 151 ASP cc_start: 0.9084 (t0) cc_final: 0.8573 (t0) REVERT: l 171 GLN cc_start: 0.9148 (pm20) cc_final: 0.8908 (pm20) REVERT: l 198 ILE cc_start: 0.9488 (tp) cc_final: 0.9205 (tp) REVERT: l 199 ASP cc_start: 0.8994 (t0) cc_final: 0.8104 (t0) REVERT: l 211 GLU cc_start: 0.9056 (tp30) cc_final: 0.8783 (tp30) REVERT: l 216 MET cc_start: 0.9459 (mtm) cc_final: 0.9193 (mtm) REVERT: l 226 GLU cc_start: 0.7770 (tt0) cc_final: 0.7145 (tt0) REVERT: l 236 GLN cc_start: 0.8608 (mm-40) cc_final: 0.8145 (mm-40) REVERT: l 245 ASN cc_start: 0.6077 (p0) cc_final: 0.5491 (p0) REVERT: l 262 LYS cc_start: 0.8169 (mttp) cc_final: 0.7805 (mtpt) REVERT: l 267 LYS cc_start: 0.8436 (ttpt) cc_final: 0.7869 (ttpt) REVERT: l 297 GLU cc_start: 0.9552 (tp30) cc_final: 0.8660 (tp30) REVERT: l 301 GLU cc_start: 0.8080 (tt0) cc_final: 0.7765 (tt0) REVERT: l 309 TRP cc_start: 0.8949 (m100) cc_final: 0.7887 (m100) REVERT: l 315 GLN cc_start: 0.8096 (mm110) cc_final: 0.7641 (mm110) REVERT: l 334 PHE cc_start: 0.9441 (m-80) cc_final: 0.9102 (m-80) REVERT: l 350 PHE cc_start: 0.9557 (m-80) cc_final: 0.9150 (m-80) REVERT: l 363 GLU cc_start: 0.9258 (tp30) cc_final: 0.8614 (tp30) REVERT: l 366 ARG cc_start: 0.9214 (ttt-90) cc_final: 0.8333 (tmm-80) REVERT: l 381 ASN cc_start: 0.9355 (m-40) cc_final: 0.8983 (p0) REVERT: l 386 LEU cc_start: 0.9610 (mt) cc_final: 0.9270 (mt) REVERT: l 432 ASP cc_start: 0.7859 (t0) cc_final: 0.6565 (t0) REVERT: l 434 PHE cc_start: 0.8367 (p90) cc_final: 0.7967 (p90) REVERT: l 448 ILE cc_start: 0.9620 (mt) cc_final: 0.9326 (mt) REVERT: l 463 ASP cc_start: 0.8975 (t0) cc_final: 0.8749 (t70) REVERT: l 468 GLN cc_start: 0.8347 (OUTLIER) cc_final: 0.8146 (tp40) REVERT: l 481 ILE cc_start: 0.9072 (pt) cc_final: 0.8275 (pt) REVERT: l 500 MET cc_start: 0.8858 (ptp) cc_final: 0.8557 (mtp) REVERT: l 510 ASN cc_start: 0.8928 (t0) cc_final: 0.8486 (t0) REVERT: l 512 TYR cc_start: 0.9221 (m-80) cc_final: 0.8661 (m-10) REVERT: l 513 PHE cc_start: 0.9582 (m-80) cc_final: 0.8957 (m-80) REVERT: l 514 ARG cc_start: 0.9273 (tpp80) cc_final: 0.8908 (tpp80) REVERT: m 72 HIS cc_start: 0.6694 (m170) cc_final: 0.5899 (m170) REVERT: m 78 ASN cc_start: 0.8434 (p0) cc_final: 0.7753 (p0) REVERT: m 90 GLN cc_start: 0.8278 (tp-100) cc_final: 0.7904 (tp-100) REVERT: m 105 ASN cc_start: 0.7868 (m-40) cc_final: 0.7360 (t0) REVERT: m 121 THR cc_start: 0.8842 (p) cc_final: 0.8427 (p) REVERT: m 131 TYR cc_start: 0.9256 (p90) cc_final: 0.8297 (p90) REVERT: m 145 HIS cc_start: 0.8750 (t-90) cc_final: 0.7694 (t-90) REVERT: m 154 PHE cc_start: 0.8431 (t80) cc_final: 0.8131 (t80) REVERT: m 161 LYS cc_start: 0.9065 (tmtt) cc_final: 0.8826 (tmtt) REVERT: m 163 PHE cc_start: 0.8905 (m-80) cc_final: 0.8534 (m-80) REVERT: m 216 MET cc_start: 0.9186 (mtp) cc_final: 0.8725 (mtp) REVERT: m 223 GLU cc_start: 0.8962 (mt-10) cc_final: 0.8654 (tp30) REVERT: m 259 ILE cc_start: 0.9161 (mt) cc_final: 0.8950 (mt) REVERT: m 272 ILE cc_start: 0.7929 (mt) cc_final: 0.7601 (mt) REVERT: m 273 GLU cc_start: 0.9240 (mp0) cc_final: 0.8853 (mp0) REVERT: m 284 MET cc_start: 0.7882 (mtm) cc_final: 0.7401 (mtt) REVERT: m 289 GLU cc_start: 0.9261 (mm-30) cc_final: 0.8820 (mp0) REVERT: m 299 MET cc_start: 0.9104 (mtp) cc_final: 0.8445 (mmp) REVERT: m 309 TRP cc_start: 0.9244 (m100) cc_final: 0.8776 (m100) REVERT: m 311 ASN cc_start: 0.9618 (m-40) cc_final: 0.9407 (t0) REVERT: m 321 MET cc_start: 0.8611 (mpp) cc_final: 0.8131 (mmm) REVERT: m 332 PHE cc_start: 0.9158 (t80) cc_final: 0.8899 (t80) REVERT: m 390 ASP cc_start: 0.8926 (t0) cc_final: 0.8601 (t70) REVERT: m 400 LEU cc_start: 0.9152 (mt) cc_final: 0.8674 (mt) REVERT: m 426 ASP cc_start: 0.8736 (t0) cc_final: 0.8404 (t0) REVERT: m 432 ASP cc_start: 0.7266 (t0) cc_final: 0.6265 (t0) REVERT: m 463 ASP cc_start: 0.9236 (t0) cc_final: 0.8993 (t0) REVERT: m 468 GLN cc_start: 0.9011 (mm-40) cc_final: 0.8606 (mm-40) REVERT: m 473 PHE cc_start: 0.8808 (m-80) cc_final: 0.8223 (m-80) REVERT: m 484 PHE cc_start: 0.8541 (m-80) cc_final: 0.7465 (m-10) REVERT: m 500 MET cc_start: 0.9272 (mtm) cc_final: 0.9001 (mpp) REVERT: m 509 LYS cc_start: 0.8851 (mmtp) cc_final: 0.8648 (mmtp) REVERT: n 145 HIS cc_start: 0.7737 (t-90) cc_final: 0.6394 (t-90) REVERT: n 148 TYR cc_start: 0.8310 (m-10) cc_final: 0.6063 (m-10) REVERT: n 154 PHE cc_start: 0.9047 (t80) cc_final: 0.8554 (t80) REVERT: n 161 LYS cc_start: 0.8563 (tmmt) cc_final: 0.8224 (tmtt) REVERT: n 163 PHE cc_start: 0.8904 (m-80) cc_final: 0.8466 (m-80) REVERT: n 166 LEU cc_start: 0.9263 (mt) cc_final: 0.8885 (mt) REVERT: n 172 THR cc_start: 0.9444 (p) cc_final: 0.8102 (t) REVERT: n 184 GLU cc_start: 0.8359 (mt-10) cc_final: 0.7684 (tt0) REVERT: n 190 LEU cc_start: 0.9751 (mm) cc_final: 0.9441 (mm) REVERT: n 191 GLN cc_start: 0.8729 (tt0) cc_final: 0.8174 (tp-100) REVERT: n 228 MET cc_start: 0.7820 (ptm) cc_final: 0.7359 (ptm) REVERT: n 253 ARG cc_start: 0.8255 (ttt-90) cc_final: 0.6859 (ttt-90) REVERT: n 319 SER cc_start: 0.9777 (t) cc_final: 0.9537 (m) REVERT: n 333 ASP cc_start: 0.8532 (t0) cc_final: 0.7632 (t0) REVERT: n 336 ASP cc_start: 0.8847 (t0) cc_final: 0.8396 (t0) REVERT: n 345 TRP cc_start: 0.8944 (t-100) cc_final: 0.8509 (t-100) REVERT: n 353 LEU cc_start: 0.9667 (tp) cc_final: 0.9386 (tp) REVERT: n 359 LYS cc_start: 0.9746 (tttp) cc_final: 0.9289 (tttp) REVERT: n 360 GLU cc_start: 0.9559 (mm-30) cc_final: 0.8953 (mm-30) REVERT: n 398 GLN cc_start: 0.9480 (tm-30) cc_final: 0.8872 (tm-30) REVERT: n 417 LEU cc_start: 0.9472 (tp) cc_final: 0.9250 (tp) REVERT: n 426 ASP cc_start: 0.9212 (t0) cc_final: 0.8653 (t0) REVERT: n 439 LYS cc_start: 0.9250 (ptpt) cc_final: 0.8759 (mtmt) REVERT: n 442 ASN cc_start: 0.9269 (t0) cc_final: 0.9022 (t0) REVERT: n 443 GLU cc_start: 0.8641 (pp20) cc_final: 0.8275 (tm-30) REVERT: n 453 TYR cc_start: 0.7644 (t80) cc_final: 0.7333 (t80) REVERT: n 496 ILE cc_start: 0.8762 (tp) cc_final: 0.8496 (mm) REVERT: n 513 PHE cc_start: 0.9343 (m-80) cc_final: 0.8923 (m-80) REVERT: o 98 MET cc_start: 0.7743 (ttp) cc_final: 0.7308 (ttp) REVERT: o 145 HIS cc_start: 0.8667 (t-90) cc_final: 0.8016 (t-90) REVERT: o 153 MET cc_start: 0.7288 (mmp) cc_final: 0.7067 (mmm) REVERT: o 187 THR cc_start: 0.8632 (m) cc_final: 0.8300 (m) REVERT: o 198 ILE cc_start: 0.9542 (tp) cc_final: 0.8784 (tp) REVERT: o 207 LYS cc_start: 0.9569 (mttt) cc_final: 0.9233 (ptpt) REVERT: o 211 GLU cc_start: 0.9569 (tp30) cc_final: 0.9209 (tt0) REVERT: o 212 ILE cc_start: 0.9666 (mt) cc_final: 0.9340 (mt) REVERT: o 216 MET cc_start: 0.9624 (mtp) cc_final: 0.9377 (mtp) REVERT: o 250 MET cc_start: 0.7641 (mpp) cc_final: 0.6969 (mpp) REVERT: o 260 GLU cc_start: 0.5331 (tp30) cc_final: 0.4906 (pt0) REVERT: o 272 ILE cc_start: 0.8223 (mm) cc_final: 0.7822 (mm) REVERT: o 309 TRP cc_start: 0.8671 (m100) cc_final: 0.8218 (m100) REVERT: o 334 PHE cc_start: 0.9196 (m-80) cc_final: 0.8751 (m-80) REVERT: o 350 PHE cc_start: 0.7776 (p90) cc_final: 0.6962 (p90) REVERT: o 351 LYS cc_start: 0.9160 (mttm) cc_final: 0.8571 (mttm) REVERT: o 354 LEU cc_start: 0.9245 (tp) cc_final: 0.8986 (tp) REVERT: o 372 GLU cc_start: 0.9130 (mp0) cc_final: 0.8855 (mp0) REVERT: o 381 ASN cc_start: 0.9492 (m110) cc_final: 0.9273 (m110) REVERT: o 398 GLN cc_start: 0.6155 (pm20) cc_final: 0.5813 (pm20) REVERT: o 400 LEU cc_start: 0.8342 (mt) cc_final: 0.7752 (mt) REVERT: o 404 PHE cc_start: 0.7702 (m-80) cc_final: 0.7256 (m-80) REVERT: o 428 TYR cc_start: 0.9354 (m-80) cc_final: 0.9010 (m-80) REVERT: o 433 TYR cc_start: 0.7869 (p90) cc_final: 0.7630 (p90) REVERT: o 434 PHE cc_start: 0.9502 (p90) cc_final: 0.9232 (p90) REVERT: o 453 TYR cc_start: 0.8732 (t80) cc_final: 0.8314 (t80) REVERT: o 473 PHE cc_start: 0.8602 (p90) cc_final: 0.7913 (p90) REVERT: o 500 MET cc_start: 0.9243 (mmp) cc_final: 0.8559 (mmp) REVERT: o 510 ASN cc_start: 0.9117 (t0) cc_final: 0.7770 (t0) REVERT: o 513 PHE cc_start: 0.9426 (m-80) cc_final: 0.8942 (m-80) REVERT: p 71 ASP cc_start: 0.8214 (t0) cc_final: 0.7873 (m-30) REVERT: p 78 ASN cc_start: 0.8742 (m-40) cc_final: 0.8274 (m-40) REVERT: p 96 MET cc_start: 0.8503 (mtm) cc_final: 0.7782 (mtm) REVERT: p 101 ARG cc_start: 0.8481 (mmm-85) cc_final: 0.7521 (mmm-85) REVERT: p 109 PHE cc_start: 0.8427 (m-80) cc_final: 0.8068 (m-80) REVERT: p 117 MET cc_start: 0.8988 (mmp) cc_final: 0.8771 (mmm) REVERT: p 151 ASP cc_start: 0.7893 (t0) cc_final: 0.7489 (t0) REVERT: p 153 MET cc_start: 0.9386 (mtp) cc_final: 0.9052 (mtp) REVERT: p 157 GLN cc_start: 0.8994 (tp40) cc_final: 0.8576 (tp-100) REVERT: p 161 LYS cc_start: 0.9335 (pttt) cc_final: 0.9007 (pttp) REVERT: p 176 ASP cc_start: 0.8829 (t70) cc_final: 0.8583 (t0) REVERT: p 199 ASP cc_start: 0.6737 (t0) cc_final: 0.6400 (t0) REVERT: p 276 GLN cc_start: 0.9351 (mt0) cc_final: 0.8920 (mt0) REVERT: p 278 LEU cc_start: 0.9575 (tp) cc_final: 0.9308 (tp) REVERT: p 284 MET cc_start: 0.7470 (mpp) cc_final: 0.7128 (mpp) REVERT: p 304 ARG cc_start: 0.9092 (mmm160) cc_final: 0.8671 (mmm160) REVERT: p 315 GLN cc_start: 0.8171 (mm110) cc_final: 0.7639 (mm110) REVERT: p 358 ASP cc_start: 0.9564 (m-30) cc_final: 0.9155 (m-30) REVERT: p 363 GLU cc_start: 0.9038 (tm-30) cc_final: 0.8503 (pp20) REVERT: p 391 THR cc_start: 0.9243 (p) cc_final: 0.8512 (t) REVERT: p 394 SER cc_start: 0.8409 (p) cc_final: 0.8201 (p) REVERT: p 404 PHE cc_start: 0.8226 (m-80) cc_final: 0.8008 (m-80) REVERT: p 412 VAL cc_start: 0.9667 (m) cc_final: 0.9159 (m) REVERT: p 426 ASP cc_start: 0.9457 (t0) cc_final: 0.9184 (t0) REVERT: p 459 LEU cc_start: 0.8310 (mt) cc_final: 0.8069 (mt) REVERT: p 465 LYS cc_start: 0.9175 (mppt) cc_final: 0.8843 (mmtm) REVERT: p 484 PHE cc_start: 0.8472 (m-10) cc_final: 0.8229 (m-10) REVERT: p 513 PHE cc_start: 0.9504 (m-10) cc_final: 0.9160 (m-10) REVERT: q 112 CYS cc_start: 0.8773 (p) cc_final: 0.8405 (p) REVERT: q 123 GLN cc_start: 0.9032 (pt0) cc_final: 0.8389 (pt0) REVERT: q 147 MET cc_start: 0.8608 (mmp) cc_final: 0.7717 (mmp) REVERT: q 153 MET cc_start: 0.8429 (mtp) cc_final: 0.7423 (ttm) REVERT: q 154 PHE cc_start: 0.9076 (t80) cc_final: 0.8874 (t80) REVERT: q 166 LEU cc_start: 0.9651 (tp) cc_final: 0.9429 (tp) REVERT: q 176 ASP cc_start: 0.8898 (t0) cc_final: 0.8663 (t70) REVERT: q 178 TYR cc_start: 0.8097 (m-80) cc_final: 0.7825 (m-80) REVERT: q 191 GLN cc_start: 0.9366 (tt0) cc_final: 0.8673 (tp40) REVERT: q 215 GLN cc_start: 0.9394 (mp-120) cc_final: 0.9076 (mp10) REVERT: q 217 GLU cc_start: 0.9399 (pp20) cc_final: 0.9019 (pp20) REVERT: q 224 ILE cc_start: 0.8920 (tt) cc_final: 0.8678 (tt) REVERT: q 228 MET cc_start: 0.8725 (ptp) cc_final: 0.8394 (ptp) REVERT: q 248 ASN cc_start: 0.9537 (m-40) cc_final: 0.9219 (m-40) REVERT: q 250 MET cc_start: 0.8886 (mpp) cc_final: 0.8449 (mpp) REVERT: q 260 GLU cc_start: 0.7798 (pp20) cc_final: 0.7062 (pp20) REVERT: q 265 GLN cc_start: 0.7541 (pm20) cc_final: 0.7272 (pm20) REVERT: q 273 GLU cc_start: 0.9650 (mp0) cc_final: 0.9395 (pm20) REVERT: q 282 HIS cc_start: 0.9221 (t-90) cc_final: 0.8975 (t-90) REVERT: q 299 MET cc_start: 0.9004 (mmm) cc_final: 0.8200 (mmm) REVERT: q 328 LYS cc_start: 0.9434 (tptm) cc_final: 0.9034 (tppt) REVERT: q 336 ASP cc_start: 0.9065 (t0) cc_final: 0.8833 (t70) REVERT: q 359 LYS cc_start: 0.9140 (ttpt) cc_final: 0.8772 (ptmt) REVERT: q 381 ASN cc_start: 0.9480 (m-40) cc_final: 0.9173 (p0) REVERT: q 406 THR cc_start: 0.9510 (p) cc_final: 0.9244 (t) REVERT: q 421 TYR cc_start: 0.9430 (m-10) cc_final: 0.9183 (m-10) REVERT: q 426 ASP cc_start: 0.8621 (t0) cc_final: 0.8354 (t0) REVERT: q 430 LYS cc_start: 0.9541 (mmtm) cc_final: 0.9231 (mmmt) REVERT: q 453 TYR cc_start: 0.8519 (t80) cc_final: 0.8254 (t80) REVERT: q 471 MET cc_start: 0.8599 (tpp) cc_final: 0.8320 (tpp) REVERT: q 510 ASN cc_start: 0.9511 (t0) cc_final: 0.9054 (t0) REVERT: q 513 PHE cc_start: 0.9573 (m-10) cc_final: 0.9041 (m-10) REVERT: q 515 ARG cc_start: 0.8449 (ptt180) cc_final: 0.7741 (ttp-170) REVERT: r 68 ILE cc_start: 0.8503 (pt) cc_final: 0.7648 (mm) REVERT: r 101 ARG cc_start: 0.8757 (mtt-85) cc_final: 0.8080 (mtt-85) REVERT: r 134 ASP cc_start: 0.8694 (t0) cc_final: 0.8303 (t0) REVERT: r 145 HIS cc_start: 0.9362 (t-90) cc_final: 0.8731 (t-90) REVERT: r 151 ASP cc_start: 0.9181 (t0) cc_final: 0.8515 (t0) REVERT: r 176 ASP cc_start: 0.8977 (m-30) cc_final: 0.8532 (m-30) REVERT: r 185 THR cc_start: 0.8870 (p) cc_final: 0.8074 (p) REVERT: r 189 TYR cc_start: 0.8408 (m-80) cc_final: 0.8002 (m-80) REVERT: r 191 GLN cc_start: 0.9101 (tt0) cc_final: 0.8827 (tt0) REVERT: r 194 VAL cc_start: 0.9436 (t) cc_final: 0.9192 (p) REVERT: r 212 ILE cc_start: 0.9670 (mt) cc_final: 0.9459 (mt) REVERT: r 213 LYS cc_start: 0.8731 (mtpt) cc_final: 0.8396 (mtpt) REVERT: r 216 MET cc_start: 0.9078 (mtp) cc_final: 0.8579 (mtp) REVERT: r 262 LYS cc_start: 0.8654 (mttt) cc_final: 0.7903 (mtmm) REVERT: r 266 LEU cc_start: 0.9413 (mt) cc_final: 0.9209 (mt) REVERT: r 267 LYS cc_start: 0.8812 (tttt) cc_final: 0.8271 (tptt) REVERT: r 293 ILE cc_start: 0.9460 (mm) cc_final: 0.9198 (mm) REVERT: r 297 GLU cc_start: 0.9133 (mm-30) cc_final: 0.8226 (mm-30) REVERT: r 300 LEU cc_start: 0.9304 (mt) cc_final: 0.8957 (mt) REVERT: r 309 TRP cc_start: 0.9226 (m100) cc_final: 0.7975 (m100) REVERT: r 336 ASP cc_start: 0.9094 (t0) cc_final: 0.8872 (t0) REVERT: r 345 TRP cc_start: 0.8608 (p-90) cc_final: 0.8391 (p-90) REVERT: r 350 PHE cc_start: 0.9387 (m-10) cc_final: 0.9010 (m-80) REVERT: r 390 ASP cc_start: 0.8064 (t0) cc_final: 0.7461 (t0) REVERT: r 404 PHE cc_start: 0.8886 (m-80) cc_final: 0.8118 (m-80) REVERT: r 407 ASP cc_start: 0.8311 (t0) cc_final: 0.7045 (t70) REVERT: r 410 LYS cc_start: 0.9129 (mptt) cc_final: 0.8418 (mptt) REVERT: r 421 TYR cc_start: 0.8453 (m-80) cc_final: 0.8194 (m-10) REVERT: r 431 GLN cc_start: 0.7953 (mp10) cc_final: 0.7593 (mp10) REVERT: r 439 LYS cc_start: 0.8100 (tptm) cc_final: 0.7677 (tttt) REVERT: r 442 ASN cc_start: 0.9258 (t0) cc_final: 0.9049 (t0) REVERT: r 484 PHE cc_start: 0.8548 (m-80) cc_final: 0.7800 (m-10) REVERT: r 515 ARG cc_start: 0.8512 (ttp80) cc_final: 0.8219 (ttp80) REVERT: s 90 GLN cc_start: 0.9349 (mm-40) cc_final: 0.8936 (mp10) REVERT: s 98 MET cc_start: 0.7115 (ppp) cc_final: 0.5213 (tmm) REVERT: s 134 ASP cc_start: 0.8976 (t0) cc_final: 0.8680 (t0) REVERT: s 136 VAL cc_start: 0.9580 (t) cc_final: 0.9337 (m) REVERT: s 142 GLU cc_start: 0.8144 (tm-30) cc_final: 0.7898 (tm-30) REVERT: s 151 ASP cc_start: 0.8372 (t0) cc_final: 0.8107 (t70) REVERT: s 153 MET cc_start: 0.9677 (mmt) cc_final: 0.9251 (mmm) REVERT: s 157 GLN cc_start: 0.8826 (tp-100) cc_final: 0.7920 (tp40) REVERT: s 184 GLU cc_start: 0.8287 (tt0) cc_final: 0.7612 (tm-30) REVERT: s 189 TYR cc_start: 0.8448 (m-80) cc_final: 0.7653 (m-80) REVERT: s 212 ILE cc_start: 0.9776 (mt) cc_final: 0.9440 (mt) REVERT: s 213 LYS cc_start: 0.8977 (mtmt) cc_final: 0.8671 (mttm) REVERT: s 235 LEU cc_start: 0.8467 (tp) cc_final: 0.8178 (pp) REVERT: s 265 GLN cc_start: 0.9272 (pt0) cc_final: 0.8439 (pt0) REVERT: s 267 LYS cc_start: 0.8115 (ttpt) cc_final: 0.7770 (ttmt) REVERT: s 277 ASP cc_start: 0.9540 (m-30) cc_final: 0.9287 (m-30) REVERT: s 294 LEU cc_start: 0.9561 (mt) cc_final: 0.9351 (mt) REVERT: s 297 GLU cc_start: 0.9571 (tp30) cc_final: 0.9202 (tp30) REVERT: s 299 MET cc_start: 0.9104 (mtm) cc_final: 0.8871 (mmm) REVERT: s 300 LEU cc_start: 0.9288 (mt) cc_final: 0.9080 (mt) REVERT: s 309 TRP cc_start: 0.8806 (m100) cc_final: 0.8501 (m100) REVERT: s 311 ASN cc_start: 0.9502 (m-40) cc_final: 0.8804 (t0) REVERT: s 322 THR cc_start: 0.8999 (p) cc_final: 0.8694 (p) REVERT: s 334 PHE cc_start: 0.9366 (m-80) cc_final: 0.8671 (m-80) REVERT: s 350 PHE cc_start: 0.9382 (m-80) cc_final: 0.9059 (m-10) REVERT: s 367 GLN cc_start: 0.9196 (mt0) cc_final: 0.8738 (mt0) REVERT: s 404 PHE cc_start: 0.8495 (m-80) cc_final: 0.7698 (m-80) REVERT: s 413 PHE cc_start: 0.9116 (t80) cc_final: 0.8879 (t80) REVERT: s 432 ASP cc_start: 0.9306 (t70) cc_final: 0.8786 (t0) REVERT: s 434 PHE cc_start: 0.9219 (p90) cc_final: 0.9008 (p90) REVERT: s 456 LEU cc_start: 0.9495 (pp) cc_final: 0.9293 (pp) REVERT: s 471 MET cc_start: 0.7919 (tpp) cc_final: 0.6887 (tpp) REVERT: s 481 ILE cc_start: 0.9100 (mm) cc_final: 0.8677 (mm) REVERT: s 482 ASN cc_start: 0.8424 (t0) cc_final: 0.7474 (t0) REVERT: s 497 GLN cc_start: 0.7754 (mt0) cc_final: 0.7245 (mp10) REVERT: s 500 MET cc_start: 0.8956 (ttm) cc_final: 0.8712 (mmm) REVERT: s 514 ARG cc_start: 0.8338 (mtp85) cc_final: 0.7538 (tpp80) REVERT: t 98 MET cc_start: 0.6527 (ptm) cc_final: 0.5474 (ppp) REVERT: t 110 ASP cc_start: 0.7827 (m-30) cc_final: 0.7264 (t0) REVERT: t 142 GLU cc_start: 0.6574 (tt0) cc_final: 0.6146 (tt0) REVERT: t 144 PHE cc_start: 0.8109 (m-10) cc_final: 0.7710 (m-10) REVERT: t 147 MET cc_start: 0.8082 (mmt) cc_final: 0.7600 (mmt) REVERT: t 153 MET cc_start: 0.9355 (mtp) cc_final: 0.8719 (mtm) REVERT: t 154 PHE cc_start: 0.9099 (t80) cc_final: 0.8825 (t80) REVERT: t 166 LEU cc_start: 0.9162 (mt) cc_final: 0.8878 (mt) REVERT: t 176 ASP cc_start: 0.8727 (m-30) cc_final: 0.8364 (m-30) REVERT: t 183 GLN cc_start: 0.8939 (tp-100) cc_final: 0.8236 (pp30) REVERT: t 216 MET cc_start: 0.9570 (ptp) cc_final: 0.9149 (ptp) REVERT: t 221 LEU cc_start: 0.9752 (mm) cc_final: 0.9542 (mm) REVERT: t 223 GLU cc_start: 0.8553 (tt0) cc_final: 0.7963 (tt0) REVERT: t 264 ARG cc_start: 0.7696 (mtm-85) cc_final: 0.7231 (mtm180) REVERT: t 299 MET cc_start: 0.8710 (mtp) cc_final: 0.8364 (mtt) REVERT: t 305 GLU cc_start: 0.8983 (mt-10) cc_final: 0.7993 (mt-10) REVERT: t 318 LYS cc_start: 0.9389 (mtpp) cc_final: 0.8607 (mtpp) REVERT: t 345 TRP cc_start: 0.8515 (t60) cc_final: 0.8198 (t60) REVERT: t 349 SER cc_start: 0.9846 (p) cc_final: 0.9578 (m) REVERT: t 350 PHE cc_start: 0.9613 (m-10) cc_final: 0.9059 (m-10) REVERT: t 356 GLN cc_start: 0.9273 (tp40) cc_final: 0.8223 (tp-100) REVERT: t 359 LYS cc_start: 0.9621 (tttp) cc_final: 0.9297 (tttp) REVERT: t 360 GLU cc_start: 0.9537 (mt-10) cc_final: 0.9081 (mt-10) REVERT: t 363 GLU cc_start: 0.9129 (tp30) cc_final: 0.8861 (tp30) REVERT: t 364 ILE cc_start: 0.9498 (mt) cc_final: 0.9236 (mt) REVERT: t 375 PHE cc_start: 0.9495 (p90) cc_final: 0.9099 (p90) REVERT: t 381 ASN cc_start: 0.8964 (m-40) cc_final: 0.8456 (p0) REVERT: t 385 VAL cc_start: 0.9735 (t) cc_final: 0.9376 (p) REVERT: t 400 LEU cc_start: 0.9340 (mt) cc_final: 0.8886 (mt) REVERT: t 413 PHE cc_start: 0.8931 (t80) cc_final: 0.8467 (t80) REVERT: t 430 LYS cc_start: 0.9236 (mmpt) cc_final: 0.9014 (mmmt) REVERT: t 432 ASP cc_start: 0.6135 (t0) cc_final: 0.3063 (m-30) REVERT: t 453 TYR cc_start: 0.6794 (t80) cc_final: 0.6402 (t80) REVERT: t 471 MET cc_start: 0.8094 (mmp) cc_final: 0.6997 (mmp) REVERT: t 481 ILE cc_start: 0.9322 (mt) cc_final: 0.9033 (mm) REVERT: t 484 PHE cc_start: 0.7254 (m-80) cc_final: 0.6518 (m-80) REVERT: t 510 ASN cc_start: 0.9348 (t0) cc_final: 0.8747 (p0) REVERT: u 71 ASP cc_start: 0.7507 (t0) cc_final: 0.6682 (t0) REVERT: u 75 ASN cc_start: 0.8785 (t0) cc_final: 0.8527 (t0) REVERT: u 103 ILE cc_start: 0.9262 (pt) cc_final: 0.8964 (mm) REVERT: u 105 ASN cc_start: 0.8464 (m-40) cc_final: 0.7725 (t0) REVERT: u 117 MET cc_start: 0.7829 (mmp) cc_final: 0.7389 (mmm) REVERT: u 142 GLU cc_start: 0.8705 (pt0) cc_final: 0.8472 (pt0) REVERT: u 147 MET cc_start: 0.8800 (mtp) cc_final: 0.8276 (mtp) REVERT: u 157 GLN cc_start: 0.8497 (tm-30) cc_final: 0.7832 (tm-30) REVERT: u 172 THR cc_start: 0.9464 (p) cc_final: 0.9174 (t) REVERT: u 204 ASP cc_start: 0.8882 (t0) cc_final: 0.8660 (t0) REVERT: u 214 LYS cc_start: 0.9187 (mttt) cc_final: 0.8868 (ptmt) REVERT: u 216 MET cc_start: 0.9477 (tmm) cc_final: 0.9096 (tpp) REVERT: u 221 LEU cc_start: 0.9404 (mt) cc_final: 0.9087 (mt) REVERT: u 226 GLU cc_start: 0.8441 (tm-30) cc_final: 0.7939 (tm-30) REVERT: u 240 ASN cc_start: 0.8179 (m110) cc_final: 0.7627 (m110) REVERT: u 250 MET cc_start: 0.8174 (mmm) cc_final: 0.7611 (mmm) REVERT: u 256 LYS cc_start: 0.8488 (ptmm) cc_final: 0.8174 (ptmm) REVERT: u 309 TRP cc_start: 0.9054 (m100) cc_final: 0.7690 (m100) REVERT: u 311 ASN cc_start: 0.9428 (m-40) cc_final: 0.8967 (m-40) REVERT: u 351 LYS cc_start: 0.9461 (mttt) cc_final: 0.9114 (mttt) REVERT: u 356 GLN cc_start: 0.9508 (tp40) cc_final: 0.9166 (tp-100) REVERT: u 358 ASP cc_start: 0.8771 (m-30) cc_final: 0.8564 (m-30) REVERT: u 367 GLN cc_start: 0.8950 (mt0) cc_final: 0.8460 (mm110) REVERT: u 391 THR cc_start: 0.8862 (p) cc_final: 0.8563 (p) REVERT: u 404 PHE cc_start: 0.8054 (m-80) cc_final: 0.7190 (m-80) REVERT: u 417 LEU cc_start: 0.9842 (tp) cc_final: 0.9520 (tp) REVERT: u 426 ASP cc_start: 0.9450 (t0) cc_final: 0.9002 (t0) REVERT: u 428 TYR cc_start: 0.8924 (m-10) cc_final: 0.8721 (m-10) REVERT: u 487 SER cc_start: 0.9005 (p) cc_final: 0.8744 (p) REVERT: u 497 GLN cc_start: 0.8917 (tp40) cc_final: 0.8350 (tp-100) REVERT: u 510 ASN cc_start: 0.9372 (t0) cc_final: 0.9163 (t0) REVERT: u 515 ARG cc_start: 0.7217 (ttt180) cc_final: 0.5979 (ttt180) REVERT: v 68 ILE cc_start: 0.9353 (tt) cc_final: 0.9095 (tp) REVERT: v 105 ASN cc_start: 0.8135 (m110) cc_final: 0.7879 (m110) REVERT: v 142 GLU cc_start: 0.8896 (tt0) cc_final: 0.8531 (tt0) REVERT: v 145 HIS cc_start: 0.8708 (t-90) cc_final: 0.8167 (t-90) REVERT: v 147 MET cc_start: 0.7217 (mtt) cc_final: 0.6879 (mtt) REVERT: v 153 MET cc_start: 0.9132 (mtt) cc_final: 0.8887 (mtt) REVERT: v 166 LEU cc_start: 0.9375 (tp) cc_final: 0.9051 (tp) REVERT: v 180 HIS cc_start: 0.8713 (t-90) cc_final: 0.7406 (t-90) REVERT: v 209 ASP cc_start: 0.9110 (p0) cc_final: 0.8597 (p0) REVERT: v 215 GLN cc_start: 0.9464 (mm-40) cc_final: 0.9253 (mm-40) REVERT: v 217 GLU cc_start: 0.9146 (tm-30) cc_final: 0.8944 (tm-30) REVERT: v 224 ILE cc_start: 0.8526 (mt) cc_final: 0.8295 (mp) REVERT: v 228 MET cc_start: 0.7447 (ttp) cc_final: 0.7140 (ttp) REVERT: v 245 ASN cc_start: 0.5790 (p0) cc_final: 0.5559 (p0) REVERT: v 279 ARG cc_start: 0.8781 (ttm-80) cc_final: 0.8447 (ttm-80) REVERT: v 297 GLU cc_start: 0.9272 (tp30) cc_final: 0.8817 (tp30) REVERT: v 300 LEU cc_start: 0.9711 (mt) cc_final: 0.9463 (mt) REVERT: v 301 GLU cc_start: 0.7619 (mt-10) cc_final: 0.6913 (mt-10) REVERT: v 312 TYR cc_start: 0.8826 (t80) cc_final: 0.8398 (t80) REVERT: v 345 TRP cc_start: 0.7694 (m100) cc_final: 0.7318 (m100) REVERT: v 359 LYS cc_start: 0.9625 (mtmt) cc_final: 0.9094 (mtmt) REVERT: v 377 ILE cc_start: 0.9276 (mm) cc_final: 0.8891 (tp) REVERT: v 404 PHE cc_start: 0.9181 (m-80) cc_final: 0.8851 (m-80) REVERT: v 405 SER cc_start: 0.9440 (t) cc_final: 0.9008 (p) REVERT: v 452 PRO cc_start: 0.9265 (Cg_endo) cc_final: 0.9024 (Cg_exo) REVERT: v 460 ARG cc_start: 0.8449 (mmm-85) cc_final: 0.7884 (mmm-85) REVERT: v 471 MET cc_start: 0.8921 (ttt) cc_final: 0.8461 (ttt) REVERT: v 473 PHE cc_start: 0.9037 (m-80) cc_final: 0.8530 (m-80) REVERT: v 476 ARG cc_start: 0.8031 (mtm180) cc_final: 0.7745 (ttp-110) REVERT: v 497 GLN cc_start: 0.8410 (mt0) cc_final: 0.8079 (mm110) REVERT: v 513 PHE cc_start: 0.9327 (m-80) cc_final: 0.8994 (m-80) REVERT: v 517 TYR cc_start: 0.8931 (m-80) cc_final: 0.8719 (m-80) REVERT: w 96 MET cc_start: 0.7947 (ptp) cc_final: 0.7200 (ptp) REVERT: w 109 PHE cc_start: 0.6824 (m-80) cc_final: 0.5600 (m-80) REVERT: w 130 VAL cc_start: 0.9640 (m) cc_final: 0.9117 (p) REVERT: w 178 TYR cc_start: 0.9058 (m-80) cc_final: 0.8410 (m-80) REVERT: w 256 LYS cc_start: 0.9380 (pttt) cc_final: 0.8453 (ptpt) REVERT: w 257 GLN cc_start: 0.9520 (mt0) cc_final: 0.9073 (mt0) REVERT: w 265 GLN cc_start: 0.9195 (pt0) cc_final: 0.8858 (pt0) REVERT: w 294 LEU cc_start: 0.9323 (tp) cc_final: 0.8445 (tp) REVERT: w 309 TRP cc_start: 0.9128 (m100) cc_final: 0.8126 (m100) REVERT: w 311 ASN cc_start: 0.9741 (m110) cc_final: 0.9456 (m-40) REVERT: w 312 TYR cc_start: 0.9147 (t80) cc_final: 0.8856 (t80) REVERT: w 356 GLN cc_start: 0.9658 (tp40) cc_final: 0.9305 (tp-100) REVERT: w 359 LYS cc_start: 0.9259 (tttp) cc_final: 0.9028 (tttt) REVERT: w 375 PHE cc_start: 0.9515 (p90) cc_final: 0.9297 (p90) REVERT: w 376 ILE cc_start: 0.9335 (mt) cc_final: 0.8741 (tp) REVERT: w 377 ILE cc_start: 0.8861 (mp) cc_final: 0.8360 (tp) REVERT: w 384 ASN cc_start: 0.9364 (m-40) cc_final: 0.9108 (m-40) REVERT: w 391 THR cc_start: 0.9050 (p) cc_final: 0.8798 (p) REVERT: w 404 PHE cc_start: 0.9208 (m-80) cc_final: 0.8684 (m-80) REVERT: w 410 LYS cc_start: 0.8832 (mmtt) cc_final: 0.8583 (mmtt) REVERT: w 420 LYS cc_start: 0.9301 (tttp) cc_final: 0.8989 (tptp) REVERT: w 424 TYR cc_start: 0.7319 (m-10) cc_final: 0.6829 (m-10) REVERT: w 460 ARG cc_start: 0.8994 (pmt-80) cc_final: 0.8544 (ttp80) REVERT: w 471 MET cc_start: 0.7410 (tmm) cc_final: 0.7007 (tmm) REVERT: w 473 PHE cc_start: 0.8689 (m-80) cc_final: 0.7255 (m-80) REVERT: w 517 TYR cc_start: 0.9533 (m-10) cc_final: 0.9261 (m-10) REVERT: x 96 MET cc_start: 0.9008 (mmp) cc_final: 0.8777 (mmm) REVERT: x 117 MET cc_start: 0.8807 (mtp) cc_final: 0.8268 (mtp) REVERT: x 125 PHE cc_start: 0.7900 (m-80) cc_final: 0.7434 (m-80) REVERT: x 147 MET cc_start: 0.8529 (mmm) cc_final: 0.8219 (mmm) REVERT: x 153 MET cc_start: 0.7861 (ptt) cc_final: 0.7350 (ptt) REVERT: x 163 PHE cc_start: 0.8759 (m-80) cc_final: 0.8548 (m-80) REVERT: x 166 LEU cc_start: 0.9442 (mt) cc_final: 0.9173 (mt) REVERT: x 178 TYR cc_start: 0.8818 (m-80) cc_final: 0.8367 (m-80) REVERT: x 182 PHE cc_start: 0.8348 (m-80) cc_final: 0.7458 (m-10) REVERT: x 199 ASP cc_start: 0.7414 (t0) cc_final: 0.6813 (t0) REVERT: x 204 ASP cc_start: 0.9519 (t0) cc_final: 0.9302 (t70) REVERT: x 212 ILE cc_start: 0.9778 (mt) cc_final: 0.9457 (mt) REVERT: x 213 LYS cc_start: 0.9544 (mttt) cc_final: 0.8879 (mttt) REVERT: x 217 GLU cc_start: 0.8842 (mm-30) cc_final: 0.8518 (mm-30) REVERT: x 228 MET cc_start: 0.8859 (mtp) cc_final: 0.8131 (mtp) REVERT: x 234 GLU cc_start: 0.8590 (tt0) cc_final: 0.8147 (tt0) REVERT: x 239 PHE cc_start: 0.8722 (t80) cc_final: 0.8358 (t80) REVERT: x 249 GLU cc_start: 0.8703 (mt-10) cc_final: 0.8228 (mt-10) REVERT: x 252 PHE cc_start: 0.9277 (p90) cc_final: 0.8899 (p90) REVERT: x 262 LYS cc_start: 0.9199 (mttt) cc_final: 0.8899 (mttt) REVERT: x 267 LYS cc_start: 0.8988 (ptmt) cc_final: 0.8710 (ptmt) REVERT: x 302 ILE cc_start: 0.9565 (mt) cc_final: 0.9344 (mt) REVERT: x 303 ASN cc_start: 0.8799 (t160) cc_final: 0.8543 (t160) REVERT: x 311 ASN cc_start: 0.9757 (m-40) cc_final: 0.8927 (m-40) REVERT: x 321 MET cc_start: 0.9545 (ptp) cc_final: 0.9121 (ptp) REVERT: x 336 ASP cc_start: 0.8776 (t0) cc_final: 0.8365 (t0) REVERT: x 360 GLU cc_start: 0.9603 (mm-30) cc_final: 0.9171 (mm-30) REVERT: x 366 ARG cc_start: 0.9348 (ttt-90) cc_final: 0.8764 (ttp80) REVERT: x 393 ILE cc_start: 0.9155 (pt) cc_final: 0.8597 (tp) REVERT: x 398 GLN cc_start: 0.8724 (tm-30) cc_final: 0.8413 (tm-30) REVERT: x 410 LYS cc_start: 0.9232 (mmmm) cc_final: 0.8909 (mmmm) REVERT: x 412 VAL cc_start: 0.9277 (t) cc_final: 0.8888 (t) REVERT: x 442 ASN cc_start: 0.8149 (t0) cc_final: 0.7767 (t0) REVERT: x 463 ASP cc_start: 0.8255 (t0) cc_final: 0.7880 (t0) REVERT: x 476 ARG cc_start: 0.7152 (ttm170) cc_final: 0.6416 (ttm170) REVERT: x 481 ILE cc_start: 0.9139 (pt) cc_final: 0.8833 (pt) REVERT: x 482 ASN cc_start: 0.9538 (t0) cc_final: 0.9248 (t0) REVERT: x 500 MET cc_start: 0.7528 (mtm) cc_final: 0.6993 (mpp) REVERT: x 514 ARG cc_start: 0.8502 (mmt90) cc_final: 0.8116 (tpp80) REVERT: y 78 ASN cc_start: 0.9142 (m110) cc_final: 0.8699 (m110) REVERT: y 98 MET cc_start: 0.7612 (ptt) cc_final: 0.7373 (ptt) REVERT: y 115 GLN cc_start: 0.9035 (tp40) cc_final: 0.7966 (tp40) REVERT: y 117 MET cc_start: 0.7202 (ttt) cc_final: 0.6340 (ttt) REVERT: y 123 GLN cc_start: 0.9226 (pt0) cc_final: 0.8646 (pt0) REVERT: y 125 PHE cc_start: 0.8719 (m-10) cc_final: 0.8463 (m-10) REVERT: y 134 ASP cc_start: 0.9157 (t0) cc_final: 0.8837 (t0) REVERT: y 153 MET cc_start: 0.7973 (mtp) cc_final: 0.6557 (mmm) REVERT: y 180 HIS cc_start: 0.8647 (t70) cc_final: 0.8402 (t70) REVERT: y 183 GLN cc_start: 0.9005 (tp40) cc_final: 0.8204 (tp-100) REVERT: y 187 THR cc_start: 0.7968 (p) cc_final: 0.7705 (p) REVERT: y 204 ASP cc_start: 0.9513 (t70) cc_final: 0.9174 (p0) REVERT: y 217 GLU cc_start: 0.9535 (tt0) cc_final: 0.8635 (tp30) REVERT: y 228 MET cc_start: 0.8844 (tpp) cc_final: 0.8537 (tpt) REVERT: y 247 TRP cc_start: 0.7761 (m-10) cc_final: 0.7384 (m-10) REVERT: y 252 PHE cc_start: 0.9327 (p90) cc_final: 0.8942 (p90) REVERT: y 253 ARG cc_start: 0.6340 (ptm-80) cc_final: 0.5748 (ptp-170) REVERT: y 256 LYS cc_start: 0.6767 (ttmt) cc_final: 0.6566 (tppt) REVERT: y 273 GLU cc_start: 0.9238 (mp0) cc_final: 0.8984 (mp0) REVERT: y 276 GLN cc_start: 0.9451 (mt0) cc_final: 0.9229 (mt0) REVERT: y 304 ARG cc_start: 0.9232 (mmm160) cc_final: 0.8846 (tpt90) REVERT: y 309 TRP cc_start: 0.8838 (m100) cc_final: 0.8611 (m100) REVERT: y 313 SER cc_start: 0.9434 (p) cc_final: 0.8854 (t) REVERT: y 333 ASP cc_start: 0.9100 (t0) cc_final: 0.8797 (t0) REVERT: y 335 GLN cc_start: 0.8091 (pp30) cc_final: 0.7820 (pp30) REVERT: y 344 ARG cc_start: 0.2519 (mtt180) cc_final: 0.2265 (mtt180) REVERT: y 348 GLU cc_start: 0.9027 (tt0) cc_final: 0.7738 (tm-30) REVERT: y 363 GLU cc_start: 0.9023 (tp30) cc_final: 0.8385 (tp30) REVERT: y 375 PHE cc_start: 0.9343 (p90) cc_final: 0.8656 (p90) REVERT: y 390 ASP cc_start: 0.8163 (t0) cc_final: 0.7959 (t0) REVERT: y 404 PHE cc_start: 0.8699 (m-80) cc_final: 0.7942 (m-80) REVERT: y 406 THR cc_start: 0.9594 (p) cc_final: 0.9257 (t) REVERT: y 424 TYR cc_start: 0.8870 (m-80) cc_final: 0.7876 (m-10) REVERT: y 426 ASP cc_start: 0.9184 (t0) cc_final: 0.8761 (t0) REVERT: y 432 ASP cc_start: 0.5988 (t0) cc_final: 0.5462 (t70) REVERT: y 433 TYR cc_start: 0.6443 (p90) cc_final: 0.6174 (p90) REVERT: y 444 MET cc_start: 0.9228 (mmm) cc_final: 0.8577 (mmm) REVERT: y 453 TYR cc_start: 0.6694 (t80) cc_final: 0.6220 (t80) REVERT: y 463 ASP cc_start: 0.9170 (t0) cc_final: 0.8908 (t70) REVERT: y 471 MET cc_start: 0.8360 (tpt) cc_final: 0.7890 (tpp) REVERT: y 481 ILE cc_start: 0.9255 (tp) cc_final: 0.8781 (tp) REVERT: y 484 PHE cc_start: 0.8526 (m-80) cc_final: 0.8264 (m-80) REVERT: y 497 GLN cc_start: 0.8655 (tp-100) cc_final: 0.8144 (tm-30) REVERT: y 507 LEU cc_start: 0.9033 (tp) cc_final: 0.8744 (tp) REVERT: y 509 LYS cc_start: 0.9032 (mttp) cc_final: 0.8651 (mtmt) REVERT: z 96 MET cc_start: 0.6812 (mtm) cc_final: 0.5971 (mtm) REVERT: z 148 TYR cc_start: 0.8911 (m-80) cc_final: 0.7647 (m-80) REVERT: z 157 GLN cc_start: 0.9146 (tt0) cc_final: 0.8885 (mt0) REVERT: z 166 LEU cc_start: 0.8663 (mt) cc_final: 0.8404 (mt) REVERT: z 173 THR cc_start: 0.9169 (m) cc_final: 0.8874 (p) REVERT: z 189 TYR cc_start: 0.8354 (m-80) cc_final: 0.8110 (m-80) REVERT: z 199 ASP cc_start: 0.9011 (t0) cc_final: 0.8533 (t0) REVERT: z 277 ASP cc_start: 0.9407 (m-30) cc_final: 0.9203 (m-30) REVERT: z 360 GLU cc_start: 0.9727 (mm-30) cc_final: 0.9262 (mm-30) REVERT: z 363 GLU cc_start: 0.8374 (tm-30) cc_final: 0.7772 (tm-30) REVERT: z 384 ASN cc_start: 0.9658 (m-40) cc_final: 0.9444 (m-40) REVERT: z 390 ASP cc_start: 0.8749 (t0) cc_final: 0.8541 (t0) REVERT: z 432 ASP cc_start: 0.8103 (p0) cc_final: 0.7644 (p0) REVERT: z 444 MET cc_start: 0.9369 (mmp) cc_final: 0.9001 (mmp) REVERT: z 518 VAL cc_start: 0.9028 (p) cc_final: 0.8644 (p) REVERT: A 72 HIS cc_start: 0.7985 (m90) cc_final: 0.7223 (m170) REVERT: A 78 ASN cc_start: 0.9340 (m110) cc_final: 0.8908 (p0) REVERT: A 115 GLN cc_start: 0.9192 (tm-30) cc_final: 0.8898 (tm-30) REVERT: A 134 ASP cc_start: 0.8546 (t70) cc_final: 0.8321 (t0) REVERT: A 147 MET cc_start: 0.9458 (mtm) cc_final: 0.8749 (mtm) REVERT: A 182 PHE cc_start: 0.8939 (m-80) cc_final: 0.8610 (m-80) REVERT: A 199 ASP cc_start: 0.8289 (t0) cc_final: 0.7729 (t0) REVERT: A 207 LYS cc_start: 0.9195 (ptpt) cc_final: 0.8873 (pttt) REVERT: A 215 GLN cc_start: 0.9417 (mm-40) cc_final: 0.9216 (mm110) REVERT: A 228 MET cc_start: 0.8990 (mmp) cc_final: 0.8673 (mmm) REVERT: A 231 SER cc_start: 0.9199 (p) cc_final: 0.8883 (m) REVERT: A 247 TRP cc_start: 0.7600 (m-90) cc_final: 0.7256 (m-90) REVERT: A 257 GLN cc_start: 0.8732 (mm-40) cc_final: 0.8269 (mm-40) REVERT: A 262 LYS cc_start: 0.8794 (mmmm) cc_final: 0.8419 (mmmm) REVERT: A 297 GLU cc_start: 0.9271 (tp30) cc_final: 0.8936 (tp30) REVERT: A 299 MET cc_start: 0.9625 (mmp) cc_final: 0.9333 (mmm) REVERT: A 309 TRP cc_start: 0.8839 (m100) cc_final: 0.7777 (m100) REVERT: A 315 GLN cc_start: 0.7049 (mt0) cc_final: 0.6538 (mt0) REVERT: A 363 GLU cc_start: 0.9292 (tp30) cc_final: 0.8411 (tp30) REVERT: A 410 LYS cc_start: 0.9503 (mmmm) cc_final: 0.9021 (tptp) REVERT: A 430 LYS cc_start: 0.7674 (tmtt) cc_final: 0.7382 (tmtt) REVERT: A 433 TYR cc_start: 0.7549 (p90) cc_final: 0.7141 (p90) REVERT: A 435 THR cc_start: 0.9529 (p) cc_final: 0.9150 (m) REVERT: A 474 LYS cc_start: 0.9333 (mttt) cc_final: 0.9073 (mmtp) REVERT: A 521 ILE cc_start: 0.7788 (mp) cc_final: 0.7093 (mp) REVERT: B 83 GLN cc_start: 0.8076 (tp40) cc_final: 0.7663 (tm-30) REVERT: B 101 ARG cc_start: 0.9414 (mmt90) cc_final: 0.7954 (tpp-160) REVERT: B 107 ILE cc_start: 0.8794 (pt) cc_final: 0.8593 (pt) REVERT: B 110 ASP cc_start: 0.7019 (t0) cc_final: 0.6613 (t0) REVERT: B 111 ILE cc_start: 0.9228 (pt) cc_final: 0.8914 (pt) REVERT: B 112 CYS cc_start: 0.8350 (p) cc_final: 0.8002 (p) REVERT: B 119 SER cc_start: 0.9216 (t) cc_final: 0.8408 (t) REVERT: B 131 TYR cc_start: 0.7903 (p90) cc_final: 0.7554 (p90) REVERT: B 145 HIS cc_start: 0.8765 (t-90) cc_final: 0.8522 (t-90) REVERT: B 147 MET cc_start: 0.9001 (mmm) cc_final: 0.8554 (mmm) REVERT: B 148 TYR cc_start: 0.8688 (m-80) cc_final: 0.8278 (m-80) REVERT: B 151 ASP cc_start: 0.7776 (t0) cc_final: 0.7283 (t0) REVERT: B 163 PHE cc_start: 0.7829 (m-10) cc_final: 0.7539 (m-10) REVERT: B 172 THR cc_start: 0.8294 (p) cc_final: 0.7593 (p) REVERT: B 178 TYR cc_start: 0.7791 (m-80) cc_final: 0.6848 (m-80) REVERT: B 182 PHE cc_start: 0.9048 (m-10) cc_final: 0.8741 (m-10) REVERT: B 198 ILE cc_start: 0.9190 (mt) cc_final: 0.8572 (tp) REVERT: B 209 ASP cc_start: 0.9590 (m-30) cc_final: 0.9383 (m-30) REVERT: B 213 LYS cc_start: 0.9287 (ptpt) cc_final: 0.9078 (mmtt) REVERT: B 217 GLU cc_start: 0.8092 (mm-30) cc_final: 0.7832 (mm-30) REVERT: B 250 MET cc_start: 0.8212 (mtp) cc_final: 0.7716 (mmm) REVERT: B 293 ILE cc_start: 0.9657 (mt) cc_final: 0.9398 (mt) REVERT: B 297 GLU cc_start: 0.9212 (mm-30) cc_final: 0.8921 (mm-30) REVERT: B 303 ASN cc_start: 0.8556 (t160) cc_final: 0.8281 (t0) REVERT: B 305 GLU cc_start: 0.9088 (tt0) cc_final: 0.8743 (tt0) REVERT: B 318 LYS cc_start: 0.9263 (tppt) cc_final: 0.8734 (tppt) REVERT: B 321 MET cc_start: 0.8598 (mmp) cc_final: 0.7818 (mmm) REVERT: B 336 ASP cc_start: 0.8179 (t0) cc_final: 0.7661 (t70) REVERT: B 356 GLN cc_start: 0.9441 (tp40) cc_final: 0.9117 (tp40) REVERT: B 363 GLU cc_start: 0.9496 (tp30) cc_final: 0.9030 (tp30) REVERT: B 377 ILE cc_start: 0.9172 (mt) cc_final: 0.8909 (tp) REVERT: B 404 PHE cc_start: 0.8417 (m-80) cc_final: 0.7960 (m-80) REVERT: B 413 PHE cc_start: 0.8936 (t80) cc_final: 0.8559 (t80) REVERT: B 426 ASP cc_start: 0.9048 (t0) cc_final: 0.8308 (t0) REVERT: B 463 ASP cc_start: 0.8886 (t70) cc_final: 0.8605 (t70) REVERT: B 466 ASN cc_start: 0.9030 (p0) cc_final: 0.8769 (p0) REVERT: B 481 ILE cc_start: 0.8700 (pt) cc_final: 0.7950 (pt) REVERT: B 482 ASN cc_start: 0.8389 (t0) cc_final: 0.8035 (t0) REVERT: B 505 ASN cc_start: 0.9478 (m-40) cc_final: 0.9170 (m-40) REVERT: B 510 ASN cc_start: 0.8277 (t0) cc_final: 0.7883 (t0) REVERT: B 513 PHE cc_start: 0.9057 (m-80) cc_final: 0.8619 (m-80) REVERT: C 96 MET cc_start: 0.8352 (mtm) cc_final: 0.7995 (mtm) REVERT: C 105 ASN cc_start: 0.8300 (m110) cc_final: 0.7693 (m-40) REVERT: C 107 ILE cc_start: 0.9267 (mt) cc_final: 0.8978 (mt) REVERT: C 119 SER cc_start: 0.9534 (p) cc_final: 0.9140 (m) REVERT: C 123 GLN cc_start: 0.9347 (pt0) cc_final: 0.8805 (pt0) REVERT: C 145 HIS cc_start: 0.9172 (t-90) cc_final: 0.8713 (t-90) REVERT: C 163 PHE cc_start: 0.7656 (m-10) cc_final: 0.6816 (m-10) REVERT: C 179 THR cc_start: 0.8634 (t) cc_final: 0.8254 (m) REVERT: C 184 GLU cc_start: 0.8259 (tp30) cc_final: 0.7104 (tm-30) REVERT: C 209 ASP cc_start: 0.9197 (t70) cc_final: 0.8937 (m-30) REVERT: C 211 GLU cc_start: 0.8913 (tp30) cc_final: 0.8252 (tp30) REVERT: C 213 LYS cc_start: 0.9484 (mtmt) cc_final: 0.9011 (mmmt) REVERT: C 226 GLU cc_start: 0.8228 (pp20) cc_final: 0.7803 (pp20) REVERT: C 239 PHE cc_start: 0.3583 (m-80) cc_final: 0.3233 (m-80) REVERT: C 249 GLU cc_start: 0.7423 (mt-10) cc_final: 0.6753 (mt-10) REVERT: C 250 MET cc_start: 0.9030 (mmm) cc_final: 0.8698 (mmm) REVERT: C 253 ARG cc_start: 0.8482 (ttm170) cc_final: 0.8186 (ttp-170) REVERT: C 273 GLU cc_start: 0.9256 (mp0) cc_final: 0.8855 (pm20) REVERT: C 285 ASP cc_start: 0.8970 (m-30) cc_final: 0.8734 (m-30) REVERT: C 287 ASP cc_start: 0.9392 (p0) cc_final: 0.8944 (t0) REVERT: C 312 TYR cc_start: 0.9351 (t80) cc_final: 0.8803 (t80) REVERT: C 321 MET cc_start: 0.8906 (pmm) cc_final: 0.8589 (pmm) REVERT: C 345 TRP cc_start: 0.9465 (t60) cc_final: 0.8942 (t60) REVERT: C 356 GLN cc_start: 0.9522 (tp40) cc_final: 0.8902 (tp-100) REVERT: C 359 LYS cc_start: 0.9540 (mtpt) cc_final: 0.8983 (mtpt) REVERT: C 360 GLU cc_start: 0.9188 (mp0) cc_final: 0.8783 (mp0) REVERT: C 452 PRO cc_start: 0.9025 (Cg_endo) cc_final: 0.8029 (Cg_exo) REVERT: C 481 ILE cc_start: 0.9324 (pt) cc_final: 0.8893 (pt) REVERT: C 500 MET cc_start: 0.8866 (mmp) cc_final: 0.8634 (mmp) REVERT: C 505 ASN cc_start: 0.8394 (t0) cc_final: 0.8098 (t0) REVERT: C 510 ASN cc_start: 0.9404 (t0) cc_final: 0.9204 (t0) REVERT: D 74 TYR cc_start: 0.7822 (m-10) cc_final: 0.7383 (m-10) REVERT: D 83 GLN cc_start: 0.8526 (tm-30) cc_final: 0.8019 (tm-30) REVERT: D 96 MET cc_start: 0.8864 (ptp) cc_final: 0.7648 (ppp) REVERT: D 105 ASN cc_start: 0.8582 (t0) cc_final: 0.8084 (t0) REVERT: D 109 PHE cc_start: 0.9053 (p90) cc_final: 0.8520 (p90) REVERT: D 125 PHE cc_start: 0.8127 (p90) cc_final: 0.7594 (p90) REVERT: D 145 HIS cc_start: 0.8585 (t-90) cc_final: 0.8376 (t-90) REVERT: D 148 TYR cc_start: 0.9211 (m-80) cc_final: 0.8736 (m-80) REVERT: D 157 GLN cc_start: 0.8973 (mt0) cc_final: 0.8657 (mt0) REVERT: D 166 LEU cc_start: 0.9038 (mt) cc_final: 0.8783 (mt) REVERT: D 191 GLN cc_start: 0.8995 (tt0) cc_final: 0.8270 (tp-100) REVERT: D 213 LYS cc_start: 0.9261 (mttt) cc_final: 0.8845 (mttt) REVERT: D 214 LYS cc_start: 0.9229 (mttt) cc_final: 0.8996 (pttt) REVERT: D 216 MET cc_start: 0.9448 (mtm) cc_final: 0.9236 (mtp) REVERT: D 228 MET cc_start: 0.8314 (ttt) cc_final: 0.7765 (ttt) REVERT: D 250 MET cc_start: 0.9257 (pmm) cc_final: 0.8770 (pmm) REVERT: D 257 GLN cc_start: 0.8824 (mp10) cc_final: 0.8191 (pm20) REVERT: D 262 LYS cc_start: 0.8363 (mmtm) cc_final: 0.7613 (tptt) REVERT: D 264 ARG cc_start: 0.4797 (mtt90) cc_final: 0.2758 (mtt90) REVERT: D 273 GLU cc_start: 0.9699 (mp0) cc_final: 0.9477 (mp0) REVERT: D 309 TRP cc_start: 0.9002 (m100) cc_final: 0.8100 (m100) REVERT: D 332 PHE cc_start: 0.8777 (t80) cc_final: 0.8143 (t80) REVERT: D 345 TRP cc_start: 0.9349 (p-90) cc_final: 0.8723 (p-90) REVERT: D 348 GLU cc_start: 0.8543 (mt-10) cc_final: 0.8065 (mt-10) REVERT: D 372 GLU cc_start: 0.8765 (tt0) cc_final: 0.8428 (tt0) REVERT: D 386 LEU cc_start: 0.9793 (mt) cc_final: 0.9465 (mt) REVERT: D 391 THR cc_start: 0.9404 (p) cc_final: 0.9108 (t) REVERT: D 404 PHE cc_start: 0.9040 (m-80) cc_final: 0.8387 (m-80) REVERT: D 433 TYR cc_start: 0.8520 (p90) cc_final: 0.7858 (p90) REVERT: D 442 ASN cc_start: 0.9458 (p0) cc_final: 0.9220 (p0) REVERT: D 448 ILE cc_start: 0.9685 (mt) cc_final: 0.9456 (mt) REVERT: D 481 ILE cc_start: 0.8608 (mm) cc_final: 0.8140 (tp) REVERT: D 513 PHE cc_start: 0.9345 (m-80) cc_final: 0.8490 (m-80) REVERT: D 515 ARG cc_start: 0.7972 (ptm-80) cc_final: 0.7751 (ptm160) REVERT: E 31 ILE cc_start: 0.7918 (mp) cc_final: 0.7558 (tt) REVERT: E 36 LEU cc_start: 0.7460 (tp) cc_final: 0.6727 (mt) REVERT: E 37 ASP cc_start: 0.8954 (p0) cc_final: 0.8329 (t0) REVERT: E 79 TYR cc_start: 0.9192 (m-10) cc_final: 0.8916 (m-80) REVERT: E 83 MET cc_start: 0.8256 (tmm) cc_final: 0.8014 (ppp) REVERT: E 111 LEU cc_start: 0.8738 (tp) cc_final: 0.8535 (tp) REVERT: E 112 ASN cc_start: 0.9509 (t0) cc_final: 0.8907 (p0) REVERT: E 125 MET cc_start: 0.9479 (mmp) cc_final: 0.9277 (mmp) REVERT: E 146 HIS cc_start: 0.8876 (m-70) cc_final: 0.8591 (m-70) REVERT: E 253 TYR cc_start: 0.9186 (m-80) cc_final: 0.8973 (m-10) REVERT: E 259 LYS cc_start: 0.9127 (ttpp) cc_final: 0.8732 (ttpp) REVERT: E 285 TRP cc_start: 0.6465 (m100) cc_final: 0.6232 (m100) REVERT: E 330 MET cc_start: 0.7811 (ptm) cc_final: 0.7431 (ptm) REVERT: E 367 GLN cc_start: 0.9142 (mm-40) cc_final: 0.8882 (mm-40) REVERT: E 371 MET cc_start: 0.9391 (mmp) cc_final: 0.8779 (mmp) REVERT: E 399 ASP cc_start: 0.9191 (m-30) cc_final: 0.8748 (m-30) REVERT: E 403 PHE cc_start: 0.8743 (m-10) cc_final: 0.8362 (m-10) REVERT: E 444 ILE cc_start: 0.8868 (pt) cc_final: 0.8407 (mm) REVERT: E 451 ASP cc_start: 0.8910 (t70) cc_final: 0.8562 (p0) REVERT: E 457 LEU cc_start: 0.9531 (mt) cc_final: 0.9318 (mt) REVERT: E 470 LEU cc_start: 0.9249 (mt) cc_final: 0.8985 (mt) REVERT: E 479 LYS cc_start: 0.7854 (mtpt) cc_final: 0.7590 (tppt) REVERT: E 498 ILE cc_start: 0.9314 (tp) cc_final: 0.9023 (mm) REVERT: E 499 GLU cc_start: 0.8342 (tt0) cc_final: 0.8049 (tp30) REVERT: F 1 MET cc_start: 0.7180 (pmm) cc_final: 0.6382 (pmm) REVERT: F 14 LYS cc_start: 0.9212 (mttt) cc_final: 0.8916 (mttt) REVERT: F 15 MET cc_start: 0.9514 (mtp) cc_final: 0.9217 (mmp) REVERT: F 26 GLU cc_start: 0.8713 (mp0) cc_final: 0.8409 (mp0) REVERT: F 69 MET cc_start: 0.6317 (ptp) cc_final: 0.5289 (ptp) REVERT: F 83 MET cc_start: 0.7319 (tmm) cc_final: 0.6994 (tmm) REVERT: F 113 LEU cc_start: 0.7511 (mt) cc_final: 0.7249 (mt) REVERT: F 125 MET cc_start: 0.8669 (mtm) cc_final: 0.8378 (mtt) REVERT: F 132 ASP cc_start: 0.8980 (t70) cc_final: 0.8756 (t0) REVERT: F 146 HIS cc_start: 0.9305 (m-70) cc_final: 0.8917 (m-70) REVERT: F 147 PHE cc_start: 0.9068 (t80) cc_final: 0.8867 (t80) REVERT: F 150 TRP cc_start: 0.8056 (t60) cc_final: 0.7572 (t60) REVERT: F 183 GLN cc_start: 0.8390 (mm-40) cc_final: 0.8148 (mm-40) REVERT: F 186 ARG cc_start: 0.7071 (mtp180) cc_final: 0.6036 (mtt180) REVERT: F 236 VAL cc_start: 0.8494 (t) cc_final: 0.8149 (t) REVERT: F 239 HIS cc_start: 0.8514 (p90) cc_final: 0.7971 (p-80) REVERT: F 259 LYS cc_start: 0.7612 (tttp) cc_final: 0.7168 (tppt) REVERT: F 301 MET cc_start: 0.5141 (mmm) cc_final: 0.4468 (mmm) REVERT: F 365 PHE cc_start: 0.9589 (m-80) cc_final: 0.9308 (m-80) REVERT: F 371 MET cc_start: 0.7849 (mtp) cc_final: 0.7298 (mtp) REVERT: F 409 GLU cc_start: 0.9768 (mt-10) cc_final: 0.9461 (mt-10) REVERT: F 410 LEU cc_start: 0.9494 (mt) cc_final: 0.9106 (mt) REVERT: F 420 ASP cc_start: 0.9139 (t70) cc_final: 0.8894 (t70) REVERT: F 425 ASN cc_start: 0.9209 (m-40) cc_final: 0.8429 (p0) REVERT: F 436 GLU cc_start: 0.8733 (tp30) cc_final: 0.8269 (tp30) REVERT: F 440 GLU cc_start: 0.8874 (mt-10) cc_final: 0.8551 (mt-10) REVERT: F 459 GLU cc_start: 0.8632 (mt-10) cc_final: 0.8335 (pp20) REVERT: F 464 GLU cc_start: 0.8804 (pp20) cc_final: 0.8356 (pp20) REVERT: F 465 ARG cc_start: 0.8463 (mtt180) cc_final: 0.8111 (ttm170) REVERT: F 472 MET cc_start: 0.8631 (mmm) cc_final: 0.7975 (mtp) REVERT: F 479 LYS cc_start: 0.6967 (mttt) cc_final: 0.6533 (tptt) REVERT: F 480 TYR cc_start: 0.9077 (m-80) cc_final: 0.8049 (m-80) REVERT: F 481 ILE cc_start: 0.9503 (mp) cc_final: 0.9089 (tp) REVERT: F 504 GLN cc_start: 0.9539 (tp-100) cc_final: 0.9301 (tp-100) REVERT: G 9 PHE cc_start: 0.9336 (m-10) cc_final: 0.8865 (m-10) REVERT: G 20 PHE cc_start: 0.7939 (m-80) cc_final: 0.7700 (m-80) REVERT: G 31 ILE cc_start: 0.7684 (mt) cc_final: 0.7307 (mp) REVERT: G 48 ASN cc_start: 0.8505 (t0) cc_final: 0.8205 (t0) REVERT: G 70 LYS cc_start: 0.8589 (tptm) cc_final: 0.8219 (mttp) REVERT: G 74 GLU cc_start: 0.9505 (mp0) cc_final: 0.9098 (mp0) REVERT: G 109 VAL cc_start: 0.8293 (p) cc_final: 0.7770 (p) REVERT: G 159 HIS cc_start: 0.8596 (t-90) cc_final: 0.8317 (t-90) REVERT: G 178 ASP cc_start: 0.8552 (t0) cc_final: 0.8268 (t0) REVERT: G 259 LYS cc_start: 0.8981 (tttt) cc_final: 0.8377 (tppt) REVERT: G 262 ASN cc_start: 0.9063 (m-40) cc_final: 0.8659 (t0) REVERT: G 263 GLN cc_start: 0.9317 (mt0) cc_final: 0.9024 (mt0) REVERT: G 265 LYS cc_start: 0.9150 (mtpt) cc_final: 0.8736 (mmmt) REVERT: G 266 LEU cc_start: 0.8410 (mt) cc_final: 0.8095 (mt) REVERT: G 292 MET cc_start: 0.4145 (tpp) cc_final: 0.3028 (tmm) REVERT: G 308 MET cc_start: 0.4250 (mtt) cc_final: 0.3495 (mpp) REVERT: G 338 ARG cc_start: 0.5587 (tpp80) cc_final: 0.4993 (ttm-80) REVERT: G 371 MET cc_start: 0.8760 (ptm) cc_final: 0.8194 (tmm) REVERT: G 406 PHE cc_start: 0.8862 (t80) cc_final: 0.8495 (t80) REVERT: G 409 GLU cc_start: 0.9137 (mt-10) cc_final: 0.8828 (mt-10) REVERT: G 413 LYS cc_start: 0.9720 (mttt) cc_final: 0.9387 (mtpt) REVERT: G 416 GLU cc_start: 0.8706 (tp30) cc_final: 0.8331 (tp30) REVERT: G 419 LEU cc_start: 0.9651 (mt) cc_final: 0.9451 (mt) REVERT: G 449 HIS cc_start: 0.8369 (t70) cc_final: 0.7656 (t70) REVERT: G 463 LEU cc_start: 0.9503 (tp) cc_final: 0.9223 (tp) REVERT: G 465 ARG cc_start: 0.9062 (mmm-85) cc_final: 0.8438 (ttm170) REVERT: G 466 ARG cc_start: 0.8350 (mtt180) cc_final: 0.7829 (ttm110) REVERT: G 469 MET cc_start: 0.8503 (mmp) cc_final: 0.8042 (mmp) REVERT: G 481 ILE cc_start: 0.7159 (mm) cc_final: 0.6953 (mm) REVERT: G 507 GLU cc_start: 0.8887 (mt-10) cc_final: 0.8517 (mt-10) REVERT: H 81 ASN cc_start: 0.9000 (m-40) cc_final: 0.8587 (t0) REVERT: H 98 ASP cc_start: 0.9434 (m-30) cc_final: 0.9078 (p0) REVERT: H 102 TYR cc_start: 0.7240 (m-10) cc_final: 0.6903 (m-80) REVERT: H 103 GLU cc_start: 0.8029 (mt-10) cc_final: 0.7134 (mp0) REVERT: H 126 MET cc_start: 0.9158 (ptp) cc_final: 0.8757 (ppp) REVERT: H 127 LEU cc_start: 0.9446 (mt) cc_final: 0.8984 (mt) REVERT: H 135 ASN cc_start: 0.8589 (t0) cc_final: 0.8371 (m-40) REVERT: H 146 HIS cc_start: 0.8679 (m-70) cc_final: 0.7963 (m170) REVERT: H 159 HIS cc_start: 0.9307 (t-90) cc_final: 0.9065 (t-90) REVERT: H 212 HIS cc_start: 0.7766 (m-70) cc_final: 0.7487 (m-70) REVERT: H 251 ILE cc_start: 0.9350 (pt) cc_final: 0.9133 (pt) REVERT: H 263 GLN cc_start: 0.8753 (mt0) cc_final: 0.8469 (mt0) REVERT: H 274 TYR cc_start: 0.7657 (t80) cc_final: 0.7359 (t80) REVERT: H 275 ARG cc_start: 0.9516 (tpt-90) cc_final: 0.9190 (ttt-90) REVERT: H 292 MET cc_start: 0.6210 (mtt) cc_final: 0.5881 (ptp) REVERT: H 305 MET cc_start: -0.1763 (ptm) cc_final: -0.2398 (tmm) REVERT: H 308 MET cc_start: 0.2730 (mmt) cc_final: 0.1891 (mmt) REVERT: H 321 ILE cc_start: 0.8379 (mm) cc_final: 0.8021 (mm) REVERT: H 338 ARG cc_start: 0.5016 (ptp90) cc_final: 0.4754 (ptt-90) REVERT: H 363 ARG cc_start: 0.9082 (mtp180) cc_final: 0.8509 (ttm110) REVERT: H 365 PHE cc_start: 0.9376 (m-80) cc_final: 0.8769 (m-80) REVERT: H 367 GLN cc_start: 0.8948 (tt0) cc_final: 0.8678 (tt0) REVERT: H 403 PHE cc_start: 0.9246 (t80) cc_final: 0.8907 (t80) REVERT: H 407 ILE cc_start: 0.9756 (mm) cc_final: 0.9033 (mm) REVERT: H 409 GLU cc_start: 0.9586 (mt-10) cc_final: 0.9352 (mt-10) REVERT: H 413 LYS cc_start: 0.9223 (mmtt) cc_final: 0.8722 (mmtt) REVERT: H 414 PHE cc_start: 0.9272 (t80) cc_final: 0.8899 (t80) REVERT: H 419 LEU cc_start: 0.9578 (mm) cc_final: 0.9377 (mm) REVERT: H 420 ASP cc_start: 0.9192 (t70) cc_final: 0.8922 (t70) REVERT: H 429 LYS cc_start: 0.9265 (tmmt) cc_final: 0.8990 (ptpp) REVERT: H 431 ILE cc_start: 0.7475 (mt) cc_final: 0.6960 (mt) REVERT: H 449 HIS cc_start: 0.7037 (t70) cc_final: 0.6184 (t-90) REVERT: H 459 GLU cc_start: 0.9167 (mt-10) cc_final: 0.8875 (mt-10) REVERT: H 472 MET cc_start: 0.9026 (mtm) cc_final: 0.8671 (mtp) REVERT: H 500 GLN cc_start: 0.9514 (tp40) cc_final: 0.9141 (tp-100) REVERT: I 76 ILE cc_start: 0.8857 (mt) cc_final: 0.8513 (mt) REVERT: I 79 TYR cc_start: 0.9218 (m-10) cc_final: 0.8859 (m-80) REVERT: I 126 MET cc_start: 0.8950 (mtm) cc_final: 0.8638 (mtm) REVERT: I 175 ARG cc_start: 0.8015 (mmp80) cc_final: 0.7604 (tpp80) REVERT: I 180 ARG cc_start: 0.9050 (mpp-170) cc_final: 0.8814 (mtm-85) REVERT: I 181 GLN cc_start: 0.7897 (OUTLIER) cc_final: 0.7683 (mm-40) REVERT: I 203 LYS cc_start: 0.8290 (ttpt) cc_final: 0.7982 (mmtt) REVERT: I 204 GLU cc_start: 0.7316 (mt-10) cc_final: 0.6598 (tt0) REVERT: I 246 CYS cc_start: 0.7680 (m) cc_final: 0.4282 (t) REVERT: I 259 LYS cc_start: 0.8735 (tttt) cc_final: 0.8401 (tptt) REVERT: I 262 ASN cc_start: 0.8824 (m-40) cc_final: 0.8222 (t0) REVERT: I 266 LEU cc_start: 0.8956 (mm) cc_final: 0.8672 (mm) REVERT: I 267 LEU cc_start: 0.8584 (mt) cc_final: 0.8282 (mt) REVERT: I 276 ILE cc_start: 0.8218 (mt) cc_final: 0.8002 (mt) REVERT: I 287 VAL cc_start: 0.0437 (p) cc_final: -0.0156 (p) REVERT: I 333 ASP cc_start: 0.7035 (t0) cc_final: 0.6070 (t0) REVERT: I 469 MET cc_start: 0.9280 (mmm) cc_final: 0.8701 (mmm) REVERT: I 472 MET cc_start: 0.8635 (mmp) cc_final: 0.8381 (mmp) REVERT: I 481 ILE cc_start: 0.9139 (mm) cc_final: 0.8734 (tp) REVERT: I 501 GLU cc_start: 0.9506 (mm-30) cc_final: 0.9108 (pp20) REVERT: J 31 ILE cc_start: 0.7835 (tt) cc_final: 0.7470 (mp) REVERT: J 94 GLU cc_start: 0.9466 (tt0) cc_final: 0.9080 (tt0) REVERT: J 98 ASP cc_start: 0.8666 (m-30) cc_final: 0.8205 (m-30) REVERT: J 126 MET cc_start: 0.8802 (mtt) cc_final: 0.8473 (mtt) REVERT: J 142 LYS cc_start: 0.9161 (mttt) cc_final: 0.8720 (mppt) REVERT: J 146 HIS cc_start: 0.9055 (m170) cc_final: 0.8215 (m-70) REVERT: J 158 PHE cc_start: 0.9365 (m-80) cc_final: 0.8991 (m-80) REVERT: J 176 ARG cc_start: 0.8861 (ttp-170) cc_final: 0.8219 (ttt180) REVERT: J 183 GLN cc_start: 0.9316 (mp10) cc_final: 0.9029 (mp10) REVERT: J 205 TYR cc_start: 0.8876 (p90) cc_final: 0.8344 (p90) REVERT: J 251 ILE cc_start: 0.8101 (mm) cc_final: 0.7679 (mm) REVERT: J 263 GLN cc_start: 0.9181 (pt0) cc_final: 0.8808 (pt0) REVERT: J 367 GLN cc_start: 0.9275 (tp40) cc_final: 0.8475 (tp40) REVERT: J 371 MET cc_start: 0.9301 (mtp) cc_final: 0.8418 (mtm) REVERT: J 396 ILE cc_start: 0.7672 (mm) cc_final: 0.6909 (mm) REVERT: J 400 GLU cc_start: 0.9193 (tp30) cc_final: 0.8969 (tp30) REVERT: J 405 LYS cc_start: 0.9210 (mttm) cc_final: 0.8927 (mtpp) REVERT: J 409 GLU cc_start: 0.9218 (mt-10) cc_final: 0.8835 (mt-10) REVERT: J 413 LYS cc_start: 0.9455 (mmtt) cc_final: 0.9115 (mmtt) REVERT: J 420 ASP cc_start: 0.8295 (m-30) cc_final: 0.8000 (m-30) REVERT: J 435 ASP cc_start: 0.8868 (m-30) cc_final: 0.8502 (p0) REVERT: J 445 LYS cc_start: 0.8271 (tmtt) cc_final: 0.7715 (tptp) REVERT: J 451 ASP cc_start: 0.8901 (t0) cc_final: 0.8353 (t0) REVERT: J 457 LEU cc_start: 0.8901 (tt) cc_final: 0.8503 (tt) REVERT: J 458 LYS cc_start: 0.8181 (ttpt) cc_final: 0.7875 (ttpt) REVERT: J 461 GLU cc_start: 0.9178 (mt-10) cc_final: 0.8715 (mt-10) REVERT: J 489 ASP cc_start: 0.8892 (m-30) cc_final: 0.8618 (m-30) REVERT: J 490 ILE cc_start: 0.7233 (mm) cc_final: 0.6912 (mm) REVERT: J 493 MET cc_start: 0.8916 (mmp) cc_final: 0.8622 (mmm) REVERT: J 498 ILE cc_start: 0.9248 (mm) cc_final: 0.8925 (mm) REVERT: J 499 GLU cc_start: 0.9086 (mt-10) cc_final: 0.8882 (mm-30) REVERT: K 31 ILE cc_start: 0.7512 (mp) cc_final: 0.6853 (tp) REVERT: K 42 GLU cc_start: 0.8860 (pm20) cc_final: 0.8546 (pm20) REVERT: K 86 TYR cc_start: 0.6490 (t80) cc_final: 0.5269 (t80) REVERT: K 87 GLU cc_start: 0.8783 (mm-30) cc_final: 0.7771 (mm-30) REVERT: K 114 ASP cc_start: 0.8871 (p0) cc_final: 0.8639 (p0) REVERT: K 122 ILE cc_start: 0.8423 (mt) cc_final: 0.8190 (mt) REVERT: K 125 MET cc_start: 0.8627 (mmp) cc_final: 0.8230 (mmp) REVERT: K 126 MET cc_start: 0.9349 (mtp) cc_final: 0.9056 (mtp) REVERT: K 158 PHE cc_start: 0.9192 (m-80) cc_final: 0.8855 (m-10) REVERT: K 202 TYR cc_start: 0.8545 (m-80) cc_final: 0.8184 (m-80) REVERT: K 301 MET cc_start: 0.1082 (mmm) cc_final: 0.0666 (mmt) REVERT: K 360 GLU cc_start: 0.9474 (mm-30) cc_final: 0.9143 (mm-30) REVERT: K 379 ARG cc_start: 0.8503 (mmp80) cc_final: 0.7832 (mmm-85) REVERT: K 396 ILE cc_start: 0.8780 (tt) cc_final: 0.8417 (tt) REVERT: K 400 GLU cc_start: 0.8229 (mp0) cc_final: 0.7797 (mp0) REVERT: K 401 LEU cc_start: 0.9187 (mt) cc_final: 0.8867 (mt) REVERT: K 408 ARG cc_start: 0.9491 (mmm160) cc_final: 0.9167 (tpt-90) REVERT: K 410 LEU cc_start: 0.9692 (mt) cc_final: 0.9429 (mt) REVERT: K 411 GLN cc_start: 0.9038 (mt0) cc_final: 0.8382 (mm-40) REVERT: K 419 LEU cc_start: 0.9197 (mt) cc_final: 0.8952 (mt) REVERT: K 420 ASP cc_start: 0.9568 (t0) cc_final: 0.9070 (t0) REVERT: K 423 LYS cc_start: 0.8643 (ptpp) cc_final: 0.8284 (tttp) REVERT: K 448 PHE cc_start: 0.8440 (m-10) cc_final: 0.7880 (m-10) REVERT: K 457 LEU cc_start: 0.9017 (mt) cc_final: 0.8749 (mt) REVERT: K 461 GLU cc_start: 0.8756 (mt-10) cc_final: 0.8436 (mt-10) REVERT: K 465 ARG cc_start: 0.8974 (tpm170) cc_final: 0.8240 (tpp-160) REVERT: K 472 MET cc_start: 0.9296 (mtm) cc_final: 0.8411 (mtp) REVERT: K 485 THR cc_start: 0.9230 (p) cc_final: 0.8920 (p) REVERT: K 487 MET cc_start: 0.9211 (mtm) cc_final: 0.8939 (ttm) REVERT: K 488 LYS cc_start: 0.8127 (pttp) cc_final: 0.7850 (pttp) REVERT: K 493 MET cc_start: 0.8630 (mtm) cc_final: 0.7328 (mtm) REVERT: K 497 GLU cc_start: 0.7606 (tt0) cc_final: 0.6507 (tt0) REVERT: K 498 ILE cc_start: 0.9552 (mt) cc_final: 0.9192 (mt) REVERT: K 501 GLU cc_start: 0.9038 (mm-30) cc_final: 0.8426 (mm-30) REVERT: L 21 LYS cc_start: 0.8373 (mttt) cc_final: 0.8053 (mmtt) REVERT: L 24 GLU cc_start: 0.8457 (tt0) cc_final: 0.7772 (mt-10) REVERT: L 111 LEU cc_start: 0.9393 (tp) cc_final: 0.9154 (tp) REVERT: L 112 ASN cc_start: 0.8323 (m110) cc_final: 0.8009 (m110) REVERT: L 113 LEU cc_start: 0.7180 (mt) cc_final: 0.6324 (mt) REVERT: L 137 LEU cc_start: 0.9598 (mt) cc_final: 0.9367 (mt) REVERT: L 146 HIS cc_start: 0.9077 (m-70) cc_final: 0.8665 (m-70) REVERT: L 173 GLU cc_start: 0.8013 (mp0) cc_final: 0.7807 (mp0) REVERT: L 202 TYR cc_start: 0.7232 (m-80) cc_final: 0.6858 (m-80) REVERT: L 208 TYR cc_start: 0.7999 (t80) cc_final: 0.7795 (t80) REVERT: L 215 TYR cc_start: 0.6886 (m-80) cc_final: 0.6685 (m-80) REVERT: L 221 MET cc_start: 0.7167 (mtp) cc_final: 0.6952 (mtp) REVERT: L 259 LYS cc_start: 0.8609 (mttt) cc_final: 0.8392 (ttmt) REVERT: L 265 LYS cc_start: 0.8112 (mmmt) cc_final: 0.7896 (mmmt) REVERT: L 268 GLU cc_start: 0.9218 (tt0) cc_final: 0.8495 (tm-30) REVERT: L 363 ARG cc_start: 0.8648 (mtt180) cc_final: 0.8164 (ttm110) REVERT: L 401 LEU cc_start: 0.9666 (mt) cc_final: 0.9464 (mt) REVERT: L 414 PHE cc_start: 0.8837 (t80) cc_final: 0.8528 (t80) REVERT: L 419 LEU cc_start: 0.9398 (mt) cc_final: 0.9062 (mt) REVERT: L 420 ASP cc_start: 0.9031 (t0) cc_final: 0.8713 (t0) REVERT: L 457 LEU cc_start: 0.9163 (mm) cc_final: 0.8900 (mm) REVERT: L 480 TYR cc_start: 0.9054 (m-80) cc_final: 0.8388 (m-80) REVERT: L 487 MET cc_start: 0.8689 (mmt) cc_final: 0.8166 (mmt) REVERT: L 504 GLN cc_start: 0.9139 (mt0) cc_final: 0.8832 (mm-40) REVERT: M 12 TRP cc_start: 0.7587 (m-90) cc_final: 0.5752 (m-90) REVERT: M 38 ASP cc_start: 0.8479 (p0) cc_final: 0.8038 (p0) REVERT: M 41 ARG cc_start: 0.9150 (ptp90) cc_final: 0.8761 (ptp90) REVERT: M 45 VAL cc_start: 0.7962 (t) cc_final: 0.7353 (t) REVERT: M 74 GLU cc_start: 0.9289 (mt-10) cc_final: 0.9050 (mt-10) REVERT: M 75 LEU cc_start: 0.9085 (mt) cc_final: 0.8751 (mt) REVERT: M 78 THR cc_start: 0.8699 (m) cc_final: 0.8494 (p) REVERT: M 79 TYR cc_start: 0.9395 (m-10) cc_final: 0.8999 (m-80) REVERT: M 98 ASP cc_start: 0.9519 (m-30) cc_final: 0.8651 (p0) REVERT: M 128 ASP cc_start: 0.9333 (m-30) cc_final: 0.9093 (m-30) REVERT: M 137 LEU cc_start: 0.9548 (mt) cc_final: 0.9291 (mt) REVERT: M 139 PHE cc_start: 0.7656 (t80) cc_final: 0.7426 (t80) REVERT: M 146 HIS cc_start: 0.9186 (m-70) cc_final: 0.8655 (m-70) REVERT: M 207 ILE cc_start: 0.8467 (mm) cc_final: 0.8137 (mm) REVERT: M 239 HIS cc_start: 0.8320 (p-80) cc_final: 0.6856 (p-80) REVERT: M 271 VAL cc_start: 0.9147 (p) cc_final: 0.8927 (p) REVERT: M 350 LEU cc_start: 0.7934 (mt) cc_final: 0.7700 (mt) REVERT: M 367 GLN cc_start: 0.8468 (tt0) cc_final: 0.8223 (tt0) REVERT: M 371 MET cc_start: 0.9415 (mtp) cc_final: 0.9045 (mtp) REVERT: M 373 LEU cc_start: 0.9518 (mt) cc_final: 0.9294 (mt) REVERT: M 401 LEU cc_start: 0.9241 (mt) cc_final: 0.9027 (mt) REVERT: M 406 PHE cc_start: 0.9491 (t80) cc_final: 0.9205 (t80) REVERT: M 407 ILE cc_start: 0.9822 (mt) cc_final: 0.9506 (mt) REVERT: M 411 GLN cc_start: 0.8449 (mm110) cc_final: 0.7965 (mm110) REVERT: M 420 ASP cc_start: 0.9422 (t70) cc_final: 0.9122 (t0) REVERT: M 472 MET cc_start: 0.8363 (mtp) cc_final: 0.7857 (mtp) REVERT: M 487 MET cc_start: 0.9071 (mtt) cc_final: 0.8628 (mtp) REVERT: M 491 LEU cc_start: 0.9317 (mt) cc_final: 0.9105 (mt) REVERT: M 493 MET cc_start: 0.8709 (mtm) cc_final: 0.8262 (mtm) REVERT: M 496 GLU cc_start: 0.8829 (pp20) cc_final: 0.8412 (tm-30) REVERT: M 498 ILE cc_start: 0.7717 (mt) cc_final: 0.7496 (mt) REVERT: M 500 GLN cc_start: 0.8898 (mm110) cc_final: 0.8578 (mm-40) REVERT: M 504 GLN cc_start: 0.8507 (tp40) cc_final: 0.8019 (tp40) REVERT: M 507 GLU cc_start: 0.9355 (mt-10) cc_final: 0.8953 (mm-30) REVERT: N 24 GLU cc_start: 0.9466 (pt0) cc_final: 0.9039 (pt0) REVERT: N 66 GLU cc_start: 0.6639 (mp0) cc_final: 0.6369 (mp0) REVERT: N 69 MET cc_start: 0.8664 (mmp) cc_final: 0.7811 (mmm) REVERT: N 130 PHE cc_start: 0.8576 (t80) cc_final: 0.8306 (t80) REVERT: N 147 PHE cc_start: 0.8873 (t80) cc_final: 0.8175 (t80) REVERT: N 149 ARG cc_start: 0.9151 (mtt180) cc_final: 0.8698 (mtt180) REVERT: N 150 TRP cc_start: 0.8875 (t60) cc_final: 0.7432 (t60) REVERT: N 180 ARG cc_start: 0.7731 (mtt90) cc_final: 0.6889 (mtt90) REVERT: N 183 GLN cc_start: 0.7873 (tp-100) cc_final: 0.7567 (tp-100) REVERT: N 207 ILE cc_start: 0.8623 (tp) cc_final: 0.8331 (tp) REVERT: N 221 MET cc_start: 0.3915 (mmt) cc_final: 0.2982 (mmt) REVERT: N 239 HIS cc_start: 0.7841 (p-80) cc_final: 0.7615 (p-80) REVERT: N 400 GLU cc_start: 0.9214 (mm-30) cc_final: 0.8732 (mm-30) REVERT: N 410 LEU cc_start: 0.9004 (mt) cc_final: 0.8681 (mp) REVERT: N 414 PHE cc_start: 0.9146 (t80) cc_final: 0.7187 (t80) REVERT: N 432 ILE cc_start: 0.9098 (mp) cc_final: 0.8765 (tp) REVERT: N 442 ASN cc_start: 0.7712 (m-40) cc_final: 0.7506 (m-40) REVERT: N 459 GLU cc_start: 0.9383 (mm-30) cc_final: 0.9165 (mm-30) REVERT: N 464 GLU cc_start: 0.9308 (tt0) cc_final: 0.9063 (tt0) REVERT: N 469 MET cc_start: 0.9398 (ttm) cc_final: 0.9196 (ttp) REVERT: N 507 GLU cc_start: 0.9108 (tt0) cc_final: 0.8526 (tm-30) REVERT: O 15 MET cc_start: 0.7488 (mtp) cc_final: 0.7194 (mtm) REVERT: O 31 ILE cc_start: 0.7717 (mt) cc_final: 0.7326 (mt) REVERT: O 36 LEU cc_start: 0.8278 (mt) cc_final: 0.7685 (mt) REVERT: O 83 MET cc_start: 0.8518 (ttp) cc_final: 0.7735 (tpp) REVERT: O 137 LEU cc_start: 0.9687 (mt) cc_final: 0.9332 (mt) REVERT: O 146 HIS cc_start: 0.8876 (m-70) cc_final: 0.8484 (m90) REVERT: O 161 ILE cc_start: 0.8556 (mm) cc_final: 0.8210 (mm) REVERT: O 172 LYS cc_start: 0.6930 (mmtt) cc_final: 0.6574 (mtmt) REVERT: O 274 TYR cc_start: 0.9222 (t80) cc_final: 0.8607 (t80) REVERT: O 292 MET cc_start: 0.6573 (mtt) cc_final: 0.5454 (ttm) REVERT: O 334 TYR cc_start: 0.7398 (m-80) cc_final: 0.6262 (m-80) REVERT: O 350 LEU cc_start: 0.7065 (tt) cc_final: 0.6826 (tt) REVERT: O 360 GLU cc_start: 0.9487 (mt-10) cc_final: 0.9173 (mp0) REVERT: O 364 TRP cc_start: 0.9310 (t60) cc_final: 0.8966 (t60) REVERT: O 367 GLN cc_start: 0.9418 (mt0) cc_final: 0.8985 (mm-40) REVERT: O 413 LYS cc_start: 0.8951 (mttp) cc_final: 0.8725 (ttmm) REVERT: O 416 GLU cc_start: 0.8304 (mm-30) cc_final: 0.7618 (tt0) REVERT: O 420 ASP cc_start: 0.9535 (t0) cc_final: 0.9219 (t0) REVERT: O 447 GLU cc_start: 0.8436 (mt-10) cc_final: 0.8080 (mp0) REVERT: O 469 MET cc_start: 0.9399 (mmp) cc_final: 0.8800 (ttm) REVERT: O 490 ILE cc_start: 0.8812 (mp) cc_final: 0.8469 (mp) REVERT: O 500 GLN cc_start: 0.9261 (mm-40) cc_final: 0.8857 (mm-40) REVERT: P 20 PHE cc_start: 0.9294 (t80) cc_final: 0.9005 (t80) REVERT: P 47 SER cc_start: 0.7387 (t) cc_final: 0.6807 (m) REVERT: P 80 ARG cc_start: 0.8962 (mmt90) cc_final: 0.8661 (mtp180) REVERT: P 94 GLU cc_start: 0.9634 (mt-10) cc_final: 0.9393 (mt-10) REVERT: P 105 ASP cc_start: 0.8939 (m-30) cc_final: 0.8579 (t70) REVERT: P 123 LYS cc_start: 0.9353 (pttp) cc_final: 0.9112 (ptpt) REVERT: P 125 MET cc_start: 0.9321 (mmm) cc_final: 0.9120 (mtt) REVERT: P 132 ASP cc_start: 0.8766 (t0) cc_final: 0.8280 (m-30) REVERT: P 156 ILE cc_start: 0.8444 (tt) cc_final: 0.8178 (tt) REVERT: P 158 PHE cc_start: 0.9309 (m-80) cc_final: 0.8909 (m-80) REVERT: P 178 ASP cc_start: 0.8693 (t70) cc_final: 0.8378 (t70) REVERT: P 203 LYS cc_start: 0.8535 (mmtm) cc_final: 0.8157 (mmtt) REVERT: P 212 HIS cc_start: 0.6682 (p-80) cc_final: 0.6289 (p-80) REVERT: P 243 VAL cc_start: 0.7725 (p) cc_final: 0.7389 (t) REVERT: P 255 HIS cc_start: 0.9151 (t70) cc_final: 0.8889 (t70) REVERT: P 263 GLN cc_start: 0.9475 (tt0) cc_final: 0.9148 (tt0) REVERT: P 330 MET cc_start: 0.7175 (tmm) cc_final: 0.6902 (tmm) REVERT: P 332 GLU cc_start: 0.8267 (mm-30) cc_final: 0.7779 (mm-30) REVERT: P 337 GLN cc_start: 0.6081 (pp30) cc_final: 0.5633 (pp30) REVERT: P 358 ASN cc_start: 0.8687 (m-40) cc_final: 0.7398 (t0) REVERT: P 359 MET cc_start: 0.8218 (mpp) cc_final: 0.7876 (mpp) REVERT: P 360 GLU cc_start: 0.8589 (pt0) cc_final: 0.8299 (pt0) REVERT: P 361 ASP cc_start: 0.9085 (m-30) cc_final: 0.8855 (m-30) REVERT: P 365 PHE cc_start: 0.9549 (m-80) cc_final: 0.9109 (m-80) REVERT: P 373 LEU cc_start: 0.9114 (mt) cc_final: 0.8897 (mt) REVERT: P 396 ILE cc_start: 0.8210 (tt) cc_final: 0.7810 (tt) REVERT: P 400 GLU cc_start: 0.8797 (mm-30) cc_final: 0.8476 (mm-30) REVERT: P 436 GLU cc_start: 0.8466 (mt-10) cc_final: 0.7845 (mm-30) REVERT: P 443 ASN cc_start: 0.9454 (t0) cc_final: 0.9112 (t0) REVERT: P 461 GLU cc_start: 0.8435 (mt-10) cc_final: 0.7953 (mt-10) REVERT: P 469 MET cc_start: 0.9217 (tpt) cc_final: 0.8725 (tpt) REVERT: P 472 MET cc_start: 0.9049 (mtm) cc_final: 0.8707 (ptp) REVERT: P 498 ILE cc_start: 0.8402 (mt) cc_final: 0.8166 (mt) REVERT: P 501 GLU cc_start: 0.9435 (mm-30) cc_final: 0.9070 (mm-30) REVERT: P 505 ILE cc_start: 0.7303 (mt) cc_final: 0.6710 (mt) outliers start: 11 outliers final: 2 residues processed: 7128 average time/residue: 1.0322 time to fit residues: 12921.9486 Evaluate side-chains 6192 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 6188 time to evaluate : 10.128 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=2.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 1149 optimal weight: 5.9990 chunk 742 optimal weight: 5.9990 chunk 1109 optimal weight: 0.7980 chunk 559 optimal weight: 0.0470 chunk 365 optimal weight: 0.9990 chunk 360 optimal weight: 0.9990 chunk 1181 optimal weight: 6.9990 chunk 1266 optimal weight: 1.9990 chunk 918 optimal weight: 4.9990 chunk 173 optimal weight: 4.9990 chunk 1460 optimal weight: 2.9990 overall best weight: 0.9684 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: a 90 GLN ** a 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 315 GLN ** a 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 105 ASN ** b 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 257 GLN ** b 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** c 78 ASN ** c 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 123 GLN ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 303 ASN ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 257 GLN e 282 HIS ** e 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 72 HIS f 180 HIS ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 303 ASN ** g 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 381 ASN g 431 GLN h 78 ASN h 191 GLN i 118 ASN ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 303 ASN ** i 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 240 ASN ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** k 311 ASN ** k 367 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 398 GLN ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 282 HIS ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 367 GLN n 72 HIS ** n 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** n 427 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 381 ASN ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** p 468 GLN ** p 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 236 GLN ** s 381 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 157 GLN t 303 ASN ** t 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 505 ASN ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** u 303 ASN ** u 431 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 83 GLN ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** x 105 ASN ** x 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 303 ASN ** y 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN ** y 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN z 356 GLN ** z 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 240 ASN ** B 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 240 ASN ** C 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 240 ASN D 257 GLN D 303 ASN D 356 GLN ** D 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 442 ASN ** E 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 411 GLN J 262 ASN J 500 GLN K 81 ASN K 262 ASN ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 249 ASN ** L 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 411 GLN ** M 140 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 159 HIS ** M 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 438 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 255 HIS ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** O 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 57 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7188 moved from start: 0.6584 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.076 153284 Z= 0.217 Angle : 0.686 12.609 207272 Z= 0.369 Chirality : 0.047 0.376 22633 Planarity : 0.005 0.099 27252 Dihedral : 5.437 42.942 21163 Min Nonbonded Distance : 2.042 Molprobity Statistics. All-atom Clashscore : 22.23 Ramachandran Plot: Outliers : 0.10 % Allowed : 8.17 % Favored : 91.72 % Rotamer: Outliers : 0.04 % Allowed : 0.93 % Favored : 99.03 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.17 (0.06), residues: 19365 helix: 0.84 (0.07), residues: 5980 sheet: -1.42 (0.09), residues: 3176 loop : -1.57 (0.06), residues: 10209 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.003 TRP t 345 HIS 0.014 0.001 HIS K 136 PHE 0.042 0.002 PHE b 109 TYR 0.062 0.002 TYR F 184 ARG 0.018 0.001 ARG K 41 *********************** REFINEMENT MACRO_CYCLE 8 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 7032 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 6 poor density : 7026 time to evaluate : 10.142 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.7891 (m-70) cc_final: 0.7189 (m170) REVERT: a 79 ILE cc_start: 0.8064 (mt) cc_final: 0.7796 (mt) REVERT: a 83 GLN cc_start: 0.8647 (tp40) cc_final: 0.8078 (tm-30) REVERT: a 99 VAL cc_start: 0.8727 (t) cc_final: 0.8411 (t) REVERT: a 117 MET cc_start: 0.7695 (ttm) cc_final: 0.7415 (ttm) REVERT: a 134 ASP cc_start: 0.8415 (t0) cc_final: 0.8036 (t0) REVERT: a 142 GLU cc_start: 0.8542 (pt0) cc_final: 0.7975 (pt0) REVERT: a 145 HIS cc_start: 0.8897 (t-90) cc_final: 0.7619 (t-90) REVERT: a 147 MET cc_start: 0.8285 (mmm) cc_final: 0.7999 (mmt) REVERT: a 199 ASP cc_start: 0.8710 (t70) cc_final: 0.8264 (t0) REVERT: a 223 GLU cc_start: 0.7506 (tt0) cc_final: 0.7168 (tt0) REVERT: a 289 GLU cc_start: 0.9239 (tm-30) cc_final: 0.8845 (tm-30) REVERT: a 294 LEU cc_start: 0.9421 (mt) cc_final: 0.9121 (mt) REVERT: a 301 GLU cc_start: 0.9424 (tt0) cc_final: 0.9221 (tt0) REVERT: a 334 PHE cc_start: 0.9182 (m-80) cc_final: 0.8781 (m-80) REVERT: a 336 ASP cc_start: 0.8114 (t0) cc_final: 0.7679 (t0) REVERT: a 345 TRP cc_start: 0.8761 (p-90) cc_final: 0.8129 (p-90) REVERT: a 350 PHE cc_start: 0.9431 (m-80) cc_final: 0.9103 (m-80) REVERT: a 376 ILE cc_start: 0.9278 (tt) cc_final: 0.8989 (tt) REVERT: a 404 PHE cc_start: 0.8302 (m-80) cc_final: 0.7662 (m-80) REVERT: a 426 ASP cc_start: 0.9546 (t0) cc_final: 0.9227 (t0) REVERT: a 430 LYS cc_start: 0.9225 (mmpt) cc_final: 0.8784 (mmpt) REVERT: a 432 ASP cc_start: 0.8364 (t70) cc_final: 0.7801 (t70) REVERT: a 471 MET cc_start: 0.8150 (ppp) cc_final: 0.7837 (ppp) REVERT: a 481 ILE cc_start: 0.9342 (pt) cc_final: 0.8499 (pt) REVERT: a 482 ASN cc_start: 0.9353 (t0) cc_final: 0.8257 (t0) REVERT: a 490 GLN cc_start: 0.8628 (mm-40) cc_final: 0.7765 (mm-40) REVERT: a 505 ASN cc_start: 0.8510 (m110) cc_final: 0.8195 (m110) REVERT: a 513 PHE cc_start: 0.9246 (m-80) cc_final: 0.8721 (m-80) REVERT: b 105 ASN cc_start: 0.8363 (m110) cc_final: 0.8086 (m-40) REVERT: b 133 LYS cc_start: 0.8225 (mtpp) cc_final: 0.7646 (tptt) REVERT: b 147 MET cc_start: 0.7965 (mtm) cc_final: 0.7505 (mtm) REVERT: b 153 MET cc_start: 0.8688 (mpp) cc_final: 0.8369 (mpp) REVERT: b 182 PHE cc_start: 0.8493 (m-80) cc_final: 0.8000 (m-80) REVERT: b 199 ASP cc_start: 0.8869 (t0) cc_final: 0.8603 (t0) REVERT: b 207 LYS cc_start: 0.9035 (mttt) cc_final: 0.8814 (mtmt) REVERT: b 209 ASP cc_start: 0.8888 (m-30) cc_final: 0.8364 (m-30) REVERT: b 216 MET cc_start: 0.9358 (mmm) cc_final: 0.8739 (mmm) REVERT: b 247 TRP cc_start: 0.7793 (m100) cc_final: 0.6306 (m100) REVERT: b 250 MET cc_start: 0.8277 (mmp) cc_final: 0.8033 (mmp) REVERT: b 252 PHE cc_start: 0.8581 (p90) cc_final: 0.8254 (p90) REVERT: b 257 GLN cc_start: 0.9083 (pt0) cc_final: 0.8325 (pm20) REVERT: b 299 MET cc_start: 0.9205 (mtp) cc_final: 0.8996 (mtp) REVERT: b 311 ASN cc_start: 0.9305 (m-40) cc_final: 0.8889 (m-40) REVERT: b 334 PHE cc_start: 0.7557 (m-80) cc_final: 0.7167 (m-80) REVERT: b 350 PHE cc_start: 0.9631 (m-10) cc_final: 0.9015 (m-10) REVERT: b 390 ASP cc_start: 0.8692 (t70) cc_final: 0.8467 (t70) REVERT: b 404 PHE cc_start: 0.8217 (m-80) cc_final: 0.7783 (m-80) REVERT: b 426 ASP cc_start: 0.8643 (t0) cc_final: 0.8252 (t0) REVERT: b 427 GLN cc_start: 0.9165 (pt0) cc_final: 0.8774 (pt0) REVERT: b 428 TYR cc_start: 0.9404 (m-80) cc_final: 0.8559 (m-80) REVERT: b 442 ASN cc_start: 0.8739 (t0) cc_final: 0.8447 (t0) REVERT: b 483 PRO cc_start: 0.9579 (Cg_exo) cc_final: 0.8904 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8745 (m-80) cc_final: 0.7862 (m-80) REVERT: b 486 GLU cc_start: 0.9151 (pm20) cc_final: 0.8497 (tm-30) REVERT: b 509 LYS cc_start: 0.9007 (mttt) cc_final: 0.8726 (mttm) REVERT: b 510 ASN cc_start: 0.9505 (t0) cc_final: 0.8801 (p0) REVERT: b 512 TYR cc_start: 0.9310 (m-80) cc_final: 0.8792 (m-80) REVERT: b 513 PHE cc_start: 0.9065 (m-80) cc_final: 0.8264 (m-80) REVERT: c 117 MET cc_start: 0.9299 (tpp) cc_final: 0.8910 (ttm) REVERT: c 144 PHE cc_start: 0.9261 (m-80) cc_final: 0.8628 (m-80) REVERT: c 183 GLN cc_start: 0.9186 (tm-30) cc_final: 0.8903 (tm-30) REVERT: c 228 MET cc_start: 0.9096 (ptm) cc_final: 0.8558 (ppp) REVERT: c 289 GLU cc_start: 0.9613 (tp30) cc_final: 0.9333 (tm-30) REVERT: c 293 ILE cc_start: 0.9458 (mt) cc_final: 0.9115 (mt) REVERT: c 294 LEU cc_start: 0.9606 (mt) cc_final: 0.9300 (mt) REVERT: c 301 GLU cc_start: 0.9221 (mt-10) cc_final: 0.8189 (mm-30) REVERT: c 305 GLU cc_start: 0.9228 (tt0) cc_final: 0.8895 (tt0) REVERT: c 333 ASP cc_start: 0.8954 (t0) cc_final: 0.8714 (t0) REVERT: c 336 ASP cc_start: 0.8117 (t0) cc_final: 0.7744 (t0) REVERT: c 351 LYS cc_start: 0.9741 (mttm) cc_final: 0.9440 (mttm) REVERT: c 363 GLU cc_start: 0.8763 (tp30) cc_final: 0.8249 (tp30) REVERT: c 367 GLN cc_start: 0.8336 (mm-40) cc_final: 0.8013 (tp40) REVERT: c 400 LEU cc_start: 0.9612 (mt) cc_final: 0.9298 (mt) REVERT: c 459 LEU cc_start: 0.7852 (mt) cc_final: 0.7534 (tp) REVERT: c 463 ASP cc_start: 0.8906 (t0) cc_final: 0.8658 (t0) REVERT: c 477 TYR cc_start: 0.8639 (p90) cc_final: 0.8352 (p90) REVERT: c 512 TYR cc_start: 0.9549 (m-80) cc_final: 0.9189 (m-80) REVERT: d 96 MET cc_start: 0.8555 (tpp) cc_final: 0.7951 (tpp) REVERT: d 105 ASN cc_start: 0.8355 (m-40) cc_final: 0.7706 (m110) REVERT: d 106 LEU cc_start: 0.9094 (mm) cc_final: 0.8890 (mm) REVERT: d 128 ARG cc_start: 0.7460 (mtm180) cc_final: 0.6875 (mtm180) REVERT: d 182 PHE cc_start: 0.8769 (m-80) cc_final: 0.8478 (m-80) REVERT: d 190 LEU cc_start: 0.9262 (mt) cc_final: 0.8976 (mt) REVERT: d 209 ASP cc_start: 0.8542 (m-30) cc_final: 0.8251 (m-30) REVERT: d 211 GLU cc_start: 0.9387 (tt0) cc_final: 0.8544 (tp30) REVERT: d 216 MET cc_start: 0.9140 (mtp) cc_final: 0.8803 (mtt) REVERT: d 224 ILE cc_start: 0.8987 (tp) cc_final: 0.8668 (pt) REVERT: d 250 MET cc_start: 0.8909 (mpp) cc_final: 0.8617 (mpp) REVERT: d 252 PHE cc_start: 0.6935 (p90) cc_final: 0.5950 (p90) REVERT: d 276 GLN cc_start: 0.9460 (mm-40) cc_final: 0.9198 (mt0) REVERT: d 279 ARG cc_start: 0.8273 (ttm-80) cc_final: 0.7977 (tpp80) REVERT: d 284 MET cc_start: 0.8611 (mmm) cc_final: 0.8199 (mmm) REVERT: d 304 ARG cc_start: 0.8867 (tpp-160) cc_final: 0.8623 (tpp-160) REVERT: d 305 GLU cc_start: 0.9109 (tt0) cc_final: 0.8801 (tt0) REVERT: d 318 LYS cc_start: 0.9451 (tptp) cc_final: 0.8988 (tttt) REVERT: d 322 THR cc_start: 0.8612 (p) cc_final: 0.8141 (p) REVERT: d 328 LYS cc_start: 0.8119 (mmpt) cc_final: 0.7724 (tptm) REVERT: d 332 PHE cc_start: 0.9084 (t80) cc_final: 0.8321 (t80) REVERT: d 333 ASP cc_start: 0.7731 (t0) cc_final: 0.7242 (t0) REVERT: d 334 PHE cc_start: 0.8223 (m-80) cc_final: 0.7403 (m-80) REVERT: d 336 ASP cc_start: 0.8821 (t0) cc_final: 0.8219 (t0) REVERT: d 360 GLU cc_start: 0.9537 (mm-30) cc_final: 0.8942 (mm-30) REVERT: d 363 GLU cc_start: 0.9256 (tp30) cc_final: 0.8669 (tp30) REVERT: d 384 ASN cc_start: 0.9069 (m-40) cc_final: 0.8795 (m-40) REVERT: d 390 ASP cc_start: 0.9018 (t0) cc_final: 0.8671 (t0) REVERT: d 391 THR cc_start: 0.9310 (p) cc_final: 0.8922 (t) REVERT: d 405 SER cc_start: 0.9385 (t) cc_final: 0.8884 (p) REVERT: d 412 VAL cc_start: 0.9241 (m) cc_final: 0.9002 (m) REVERT: d 424 TYR cc_start: 0.8771 (m-80) cc_final: 0.7724 (m-10) REVERT: d 432 ASP cc_start: 0.8083 (p0) cc_final: 0.7669 (p0) REVERT: d 515 ARG cc_start: 0.8807 (tmm160) cc_final: 0.8256 (tmm-80) REVERT: e 105 ASN cc_start: 0.9083 (t0) cc_final: 0.8741 (m110) REVERT: e 117 MET cc_start: 0.9444 (mmm) cc_final: 0.9237 (mmm) REVERT: e 123 GLN cc_start: 0.9186 (pt0) cc_final: 0.8768 (pt0) REVERT: e 147 MET cc_start: 0.8531 (mmt) cc_final: 0.8032 (mmm) REVERT: e 207 LYS cc_start: 0.9241 (mptt) cc_final: 0.8942 (mttm) REVERT: e 213 LYS cc_start: 0.8994 (pttt) cc_final: 0.8763 (pttt) REVERT: e 228 MET cc_start: 0.8617 (ttp) cc_final: 0.7714 (ttp) REVERT: e 252 PHE cc_start: 0.9547 (p90) cc_final: 0.8966 (p90) REVERT: e 260 GLU cc_start: 0.8879 (pp20) cc_final: 0.8509 (pm20) REVERT: e 266 LEU cc_start: 0.9695 (mt) cc_final: 0.9275 (mt) REVERT: e 303 ASN cc_start: 0.9307 (m-40) cc_final: 0.8921 (m-40) REVERT: e 309 TRP cc_start: 0.9057 (m100) cc_final: 0.8822 (m100) REVERT: e 315 GLN cc_start: 0.8207 (mm-40) cc_final: 0.7596 (mm110) REVERT: e 344 ARG cc_start: 0.7915 (mmt180) cc_final: 0.7456 (mmt90) REVERT: e 345 TRP cc_start: 0.7970 (m-10) cc_final: 0.7757 (m-10) REVERT: e 359 LYS cc_start: 0.9485 (mtpt) cc_final: 0.9210 (mtpt) REVERT: e 390 ASP cc_start: 0.7959 (t70) cc_final: 0.7563 (t70) REVERT: e 400 LEU cc_start: 0.9310 (mt) cc_final: 0.9062 (mt) REVERT: e 405 SER cc_start: 0.9057 (m) cc_final: 0.8558 (p) REVERT: e 452 PRO cc_start: 0.9286 (Cg_endo) cc_final: 0.8783 (Cg_exo) REVERT: e 453 TYR cc_start: 0.8111 (t80) cc_final: 0.7784 (t80) REVERT: e 463 ASP cc_start: 0.9281 (t0) cc_final: 0.9021 (t0) REVERT: e 471 MET cc_start: 0.6973 (tmm) cc_final: 0.6547 (tmm) REVERT: e 474 LYS cc_start: 0.9294 (mtpp) cc_final: 0.8999 (mtpt) REVERT: e 481 ILE cc_start: 0.9207 (pt) cc_final: 0.9004 (pt) REVERT: e 482 ASN cc_start: 0.8859 (t0) cc_final: 0.8327 (p0) REVERT: e 513 PHE cc_start: 0.9367 (m-80) cc_final: 0.8737 (m-80) REVERT: f 96 MET cc_start: 0.8512 (mtm) cc_final: 0.8188 (mtt) REVERT: f 98 MET cc_start: 0.5362 (ptt) cc_final: 0.4677 (ptt) REVERT: f 124 VAL cc_start: 0.8908 (p) cc_final: 0.8658 (p) REVERT: f 145 HIS cc_start: 0.9064 (t-90) cc_final: 0.7997 (t-90) REVERT: f 147 MET cc_start: 0.8856 (mmm) cc_final: 0.7495 (mmm) REVERT: f 148 TYR cc_start: 0.9151 (m-80) cc_final: 0.8876 (m-80) REVERT: f 163 PHE cc_start: 0.8567 (m-80) cc_final: 0.8289 (m-10) REVERT: f 166 LEU cc_start: 0.9492 (mt) cc_final: 0.9221 (mt) REVERT: f 189 TYR cc_start: 0.8282 (m-80) cc_final: 0.8050 (m-80) REVERT: f 198 ILE cc_start: 0.9230 (mt) cc_final: 0.8656 (mt) REVERT: f 199 ASP cc_start: 0.8792 (t0) cc_final: 0.8389 (t0) REVERT: f 203 THR cc_start: 0.8566 (m) cc_final: 0.8328 (p) REVERT: f 211 GLU cc_start: 0.9144 (tt0) cc_final: 0.8625 (tt0) REVERT: f 245 ASN cc_start: 0.8441 (m-40) cc_final: 0.8151 (m110) REVERT: f 247 TRP cc_start: 0.8859 (m-10) cc_final: 0.8481 (m100) REVERT: f 250 MET cc_start: 0.8888 (mtp) cc_final: 0.8592 (mtp) REVERT: f 252 PHE cc_start: 0.8645 (p90) cc_final: 0.8431 (p90) REVERT: f 267 LYS cc_start: 0.9118 (pttt) cc_final: 0.8894 (pttm) REVERT: f 277 ASP cc_start: 0.9537 (m-30) cc_final: 0.9240 (m-30) REVERT: f 299 MET cc_start: 0.8865 (mmm) cc_final: 0.8520 (mmm) REVERT: f 303 ASN cc_start: 0.8877 (t0) cc_final: 0.8524 (t0) REVERT: f 334 PHE cc_start: 0.9378 (m-80) cc_final: 0.9011 (m-80) REVERT: f 338 ILE cc_start: 0.9672 (mm) cc_final: 0.9273 (tp) REVERT: f 350 PHE cc_start: 0.9381 (m-80) cc_final: 0.8922 (m-80) REVERT: f 375 PHE cc_start: 0.9480 (p90) cc_final: 0.9114 (p90) REVERT: f 386 LEU cc_start: 0.9777 (mt) cc_final: 0.9554 (mt) REVERT: f 390 ASP cc_start: 0.9117 (t0) cc_final: 0.8859 (t0) REVERT: f 393 ILE cc_start: 0.9300 (pt) cc_final: 0.8896 (tp) REVERT: f 417 LEU cc_start: 0.9481 (tp) cc_final: 0.9239 (tp) REVERT: f 426 ASP cc_start: 0.9076 (t0) cc_final: 0.8656 (t0) REVERT: f 428 TYR cc_start: 0.9597 (m-80) cc_final: 0.8919 (m-80) REVERT: f 442 ASN cc_start: 0.8223 (p0) cc_final: 0.7871 (p0) REVERT: f 462 SER cc_start: 0.9055 (p) cc_final: 0.8775 (t) REVERT: f 463 ASP cc_start: 0.8826 (t0) cc_final: 0.8454 (t70) REVERT: f 510 ASN cc_start: 0.9071 (t0) cc_final: 0.8213 (t0) REVERT: f 513 PHE cc_start: 0.9085 (m-80) cc_final: 0.8679 (m-80) REVERT: g 117 MET cc_start: 0.8269 (mtp) cc_final: 0.7801 (mpp) REVERT: g 128 ARG cc_start: 0.8577 (mtt-85) cc_final: 0.7466 (mtt180) REVERT: g 131 TYR cc_start: 0.8607 (p90) cc_final: 0.8301 (p90) REVERT: g 134 ASP cc_start: 0.8550 (t0) cc_final: 0.8228 (t0) REVERT: g 142 GLU cc_start: 0.8275 (tt0) cc_final: 0.6939 (tt0) REVERT: g 145 HIS cc_start: 0.9313 (t-90) cc_final: 0.8527 (t-90) REVERT: g 147 MET cc_start: 0.8889 (tpt) cc_final: 0.8184 (tpt) REVERT: g 148 TYR cc_start: 0.9277 (m-80) cc_final: 0.7872 (m-80) REVERT: g 176 ASP cc_start: 0.7902 (t0) cc_final: 0.7505 (p0) REVERT: g 180 HIS cc_start: 0.7944 (t70) cc_final: 0.7545 (t70) REVERT: g 199 ASP cc_start: 0.8111 (t0) cc_final: 0.7850 (t0) REVERT: g 212 ILE cc_start: 0.9738 (mt) cc_final: 0.9341 (mt) REVERT: g 216 MET cc_start: 0.9647 (mtm) cc_final: 0.9039 (mtm) REVERT: g 245 ASN cc_start: 0.8436 (t0) cc_final: 0.8158 (t0) REVERT: g 249 GLU cc_start: 0.7294 (pm20) cc_final: 0.6834 (pm20) REVERT: g 250 MET cc_start: 0.8813 (mtp) cc_final: 0.8500 (mtm) REVERT: g 262 LYS cc_start: 0.7549 (mmpt) cc_final: 0.7288 (mmmm) REVERT: g 273 GLU cc_start: 0.9101 (mp0) cc_final: 0.7991 (tp30) REVERT: g 299 MET cc_start: 0.8894 (ttt) cc_final: 0.8575 (ttt) REVERT: g 316 VAL cc_start: 0.7824 (t) cc_final: 0.7204 (m) REVERT: g 350 PHE cc_start: 0.9445 (m-10) cc_final: 0.9150 (m-10) REVERT: g 351 LYS cc_start: 0.9316 (mmtt) cc_final: 0.9084 (mmtt) REVERT: g 404 PHE cc_start: 0.9293 (m-80) cc_final: 0.8689 (m-80) REVERT: g 426 ASP cc_start: 0.8682 (t0) cc_final: 0.8158 (t0) REVERT: g 442 ASN cc_start: 0.8882 (t0) cc_final: 0.8542 (t0) REVERT: g 444 MET cc_start: 0.9584 (mmm) cc_final: 0.9180 (mmm) REVERT: g 449 TYR cc_start: 0.8560 (m-80) cc_final: 0.7926 (m-80) REVERT: g 481 ILE cc_start: 0.9407 (mp) cc_final: 0.9088 (mp) REVERT: g 500 MET cc_start: 0.8933 (ttm) cc_final: 0.8653 (mmt) REVERT: g 513 PHE cc_start: 0.9453 (m-80) cc_final: 0.9036 (m-80) REVERT: g 514 ARG cc_start: 0.8425 (mtp85) cc_final: 0.7610 (mmm-85) REVERT: h 72 HIS cc_start: 0.7333 (m90) cc_final: 0.6831 (m170) REVERT: h 112 CYS cc_start: 0.9366 (m) cc_final: 0.8906 (t) REVERT: h 142 GLU cc_start: 0.7591 (tt0) cc_final: 0.7333 (tt0) REVERT: h 151 ASP cc_start: 0.8371 (t0) cc_final: 0.7526 (t70) REVERT: h 153 MET cc_start: 0.9144 (mpp) cc_final: 0.8700 (mpp) REVERT: h 166 LEU cc_start: 0.9410 (mt) cc_final: 0.8889 (mt) REVERT: h 180 HIS cc_start: 0.8638 (t-90) cc_final: 0.8399 (t-90) REVERT: h 194 VAL cc_start: 0.9015 (t) cc_final: 0.8673 (p) REVERT: h 204 ASP cc_start: 0.8984 (t0) cc_final: 0.8733 (t70) REVERT: h 212 ILE cc_start: 0.9659 (mt) cc_final: 0.9449 (mt) REVERT: h 215 GLN cc_start: 0.9599 (mt0) cc_final: 0.9241 (tp40) REVERT: h 247 TRP cc_start: 0.8702 (m-10) cc_final: 0.7716 (m100) REVERT: h 250 MET cc_start: 0.8976 (mtm) cc_final: 0.7873 (ptm) REVERT: h 257 GLN cc_start: 0.9064 (pt0) cc_final: 0.8690 (pt0) REVERT: h 258 VAL cc_start: 0.9699 (p) cc_final: 0.9362 (p) REVERT: h 304 ARG cc_start: 0.8932 (tpm170) cc_final: 0.8725 (tpm170) REVERT: h 334 PHE cc_start: 0.8132 (m-80) cc_final: 0.7853 (m-80) REVERT: h 345 TRP cc_start: 0.8549 (p-90) cc_final: 0.7198 (p-90) REVERT: h 350 PHE cc_start: 0.9319 (m-80) cc_final: 0.8904 (m-80) REVERT: h 357 ILE cc_start: 0.9687 (mt) cc_final: 0.9395 (mt) REVERT: h 360 GLU cc_start: 0.9691 (mt-10) cc_final: 0.9256 (mt-10) REVERT: h 363 GLU cc_start: 0.9502 (tp30) cc_final: 0.8951 (tp30) REVERT: h 404 PHE cc_start: 0.7191 (m-80) cc_final: 0.6520 (m-80) REVERT: h 412 VAL cc_start: 0.9477 (p) cc_final: 0.9205 (t) REVERT: h 426 ASP cc_start: 0.9072 (t0) cc_final: 0.8746 (t0) REVERT: h 432 ASP cc_start: 0.7893 (t0) cc_final: 0.7500 (t70) REVERT: h 442 ASN cc_start: 0.8643 (t0) cc_final: 0.8287 (t0) REVERT: h 457 THR cc_start: 0.9082 (m) cc_final: 0.8847 (p) REVERT: h 484 PHE cc_start: 0.9185 (m-10) cc_final: 0.8554 (m-10) REVERT: h 504 LEU cc_start: 0.9049 (mt) cc_final: 0.8694 (tt) REVERT: i 90 GLN cc_start: 0.8377 (mm-40) cc_final: 0.7963 (mp10) REVERT: i 103 ILE cc_start: 0.8415 (mt) cc_final: 0.7733 (mt) REVERT: i 142 GLU cc_start: 0.9195 (pt0) cc_final: 0.7758 (tm-30) REVERT: i 145 HIS cc_start: 0.8616 (t-90) cc_final: 0.7491 (t-90) REVERT: i 147 MET cc_start: 0.8425 (mmm) cc_final: 0.7810 (mmm) REVERT: i 148 TYR cc_start: 0.8787 (m-80) cc_final: 0.8489 (m-80) REVERT: i 151 ASP cc_start: 0.8787 (t0) cc_final: 0.8433 (t0) REVERT: i 179 THR cc_start: 0.7984 (p) cc_final: 0.7517 (p) REVERT: i 180 HIS cc_start: 0.9011 (t70) cc_final: 0.8719 (t70) REVERT: i 191 GLN cc_start: 0.9597 (tt0) cc_final: 0.9345 (tp-100) REVERT: i 198 ILE cc_start: 0.9427 (mp) cc_final: 0.9226 (mp) REVERT: i 199 ASP cc_start: 0.7882 (t70) cc_final: 0.7659 (t70) REVERT: i 214 LYS cc_start: 0.9061 (mttp) cc_final: 0.8636 (mttp) REVERT: i 224 ILE cc_start: 0.8671 (tp) cc_final: 0.8414 (tp) REVERT: i 250 MET cc_start: 0.7536 (mtm) cc_final: 0.6474 (ptp) REVERT: i 257 GLN cc_start: 0.8646 (pt0) cc_final: 0.8348 (pt0) REVERT: i 267 LYS cc_start: 0.8519 (mtmm) cc_final: 0.8314 (mtmm) REVERT: i 289 GLU cc_start: 0.9267 (mm-30) cc_final: 0.9022 (mm-30) REVERT: i 300 LEU cc_start: 0.9111 (mt) cc_final: 0.8823 (mt) REVERT: i 301 GLU cc_start: 0.9046 (mt-10) cc_final: 0.8575 (mt-10) REVERT: i 315 GLN cc_start: 0.7961 (mp10) cc_final: 0.7504 (mp10) REVERT: i 336 ASP cc_start: 0.7475 (t0) cc_final: 0.7090 (t0) REVERT: i 348 GLU cc_start: 0.8861 (mt-10) cc_final: 0.8055 (mp0) REVERT: i 356 GLN cc_start: 0.8986 (mp10) cc_final: 0.8717 (mp10) REVERT: i 359 LYS cc_start: 0.9754 (ptmt) cc_final: 0.9298 (pptt) REVERT: i 390 ASP cc_start: 0.8968 (t0) cc_final: 0.8546 (t0) REVERT: i 426 ASP cc_start: 0.9033 (t0) cc_final: 0.8603 (t0) REVERT: i 444 MET cc_start: 0.8796 (mmm) cc_final: 0.8274 (tpp) REVERT: i 463 ASP cc_start: 0.9342 (t0) cc_final: 0.9106 (t0) REVERT: i 513 PHE cc_start: 0.8844 (m-10) cc_final: 0.8348 (m-10) REVERT: j 68 ILE cc_start: 0.9476 (mp) cc_final: 0.8932 (mp) REVERT: j 109 PHE cc_start: 0.8734 (m-80) cc_final: 0.8302 (m-80) REVERT: j 131 TYR cc_start: 0.8912 (p90) cc_final: 0.8546 (p90) REVERT: j 144 PHE cc_start: 0.8965 (m-80) cc_final: 0.8018 (m-80) REVERT: j 147 MET cc_start: 0.8605 (mtt) cc_final: 0.7810 (mmm) REVERT: j 154 PHE cc_start: 0.8897 (t80) cc_final: 0.8532 (t80) REVERT: j 182 PHE cc_start: 0.9381 (m-80) cc_final: 0.8166 (m-80) REVERT: j 204 ASP cc_start: 0.8980 (t70) cc_final: 0.8735 (t70) REVERT: j 209 ASP cc_start: 0.9542 (m-30) cc_final: 0.8995 (m-30) REVERT: j 211 GLU cc_start: 0.9484 (tp30) cc_final: 0.9254 (tp30) REVERT: j 215 GLN cc_start: 0.9199 (mm110) cc_final: 0.8877 (mm110) REVERT: j 216 MET cc_start: 0.9003 (mmm) cc_final: 0.8681 (mmm) REVERT: j 250 MET cc_start: 0.8227 (mtp) cc_final: 0.7067 (ptm) REVERT: j 267 LYS cc_start: 0.9036 (pptt) cc_final: 0.8493 (pptt) REVERT: j 305 GLU cc_start: 0.9378 (tt0) cc_final: 0.8823 (tt0) REVERT: j 309 TRP cc_start: 0.9329 (m100) cc_final: 0.8995 (m100) REVERT: j 318 LYS cc_start: 0.8898 (ttpt) cc_final: 0.8268 (ptmm) REVERT: j 321 MET cc_start: 0.9405 (mmp) cc_final: 0.8671 (mtt) REVERT: j 338 ILE cc_start: 0.8971 (mm) cc_final: 0.8683 (tp) REVERT: j 350 PHE cc_start: 0.9545 (m-10) cc_final: 0.9265 (m-10) REVERT: j 395 TYR cc_start: 0.7546 (t80) cc_final: 0.7109 (t80) REVERT: j 404 PHE cc_start: 0.8080 (m-80) cc_final: 0.7230 (m-80) REVERT: j 420 LYS cc_start: 0.8797 (tptp) cc_final: 0.8304 (tptp) REVERT: j 424 TYR cc_start: 0.8769 (m-80) cc_final: 0.8532 (m-80) REVERT: j 426 ASP cc_start: 0.9234 (t0) cc_final: 0.8976 (t0) REVERT: j 459 LEU cc_start: 0.8136 (mt) cc_final: 0.7823 (mt) REVERT: j 486 GLU cc_start: 0.8113 (tt0) cc_final: 0.7763 (tt0) REVERT: k 105 ASN cc_start: 0.8530 (m110) cc_final: 0.8046 (m110) REVERT: k 110 ASP cc_start: 0.8721 (t0) cc_final: 0.8173 (t0) REVERT: k 115 GLN cc_start: 0.9297 (tp40) cc_final: 0.8996 (tm-30) REVERT: k 118 ASN cc_start: 0.9362 (p0) cc_final: 0.8777 (p0) REVERT: k 119 SER cc_start: 0.9575 (p) cc_final: 0.9169 (m) REVERT: k 124 VAL cc_start: 0.9584 (p) cc_final: 0.9348 (p) REVERT: k 125 PHE cc_start: 0.8258 (m-80) cc_final: 0.7955 (m-80) REVERT: k 144 PHE cc_start: 0.8710 (m-10) cc_final: 0.8504 (m-10) REVERT: k 145 HIS cc_start: 0.8882 (t-90) cc_final: 0.8151 (t70) REVERT: k 153 MET cc_start: 0.8755 (mmt) cc_final: 0.8319 (mmt) REVERT: k 183 GLN cc_start: 0.8656 (mt0) cc_final: 0.8407 (mp10) REVERT: k 189 TYR cc_start: 0.8304 (m-80) cc_final: 0.7444 (m-80) REVERT: k 199 ASP cc_start: 0.7020 (t0) cc_final: 0.6510 (t0) REVERT: k 212 ILE cc_start: 0.9823 (mt) cc_final: 0.9582 (mt) REVERT: k 247 TRP cc_start: 0.9018 (m-90) cc_final: 0.8065 (m-90) REVERT: k 265 GLN cc_start: 0.8968 (pt0) cc_final: 0.8626 (pt0) REVERT: k 274 LEU cc_start: 0.9572 (tp) cc_final: 0.9289 (tp) REVERT: k 279 ARG cc_start: 0.9085 (tpt170) cc_final: 0.8470 (mtp180) REVERT: k 297 GLU cc_start: 0.9234 (mm-30) cc_final: 0.8493 (mm-30) REVERT: k 311 ASN cc_start: 0.9629 (m110) cc_final: 0.9046 (t0) REVERT: k 322 THR cc_start: 0.9069 (p) cc_final: 0.8708 (p) REVERT: k 336 ASP cc_start: 0.8470 (t0) cc_final: 0.8141 (t0) REVERT: k 351 LYS cc_start: 0.9419 (mttm) cc_final: 0.8830 (mttm) REVERT: k 354 LEU cc_start: 0.9544 (mt) cc_final: 0.9333 (mt) REVERT: k 359 LYS cc_start: 0.9568 (tttt) cc_final: 0.9340 (tttt) REVERT: k 360 GLU cc_start: 0.9664 (tp30) cc_final: 0.8507 (tp30) REVERT: k 384 ASN cc_start: 0.9362 (m-40) cc_final: 0.9120 (m-40) REVERT: k 390 ASP cc_start: 0.9340 (t0) cc_final: 0.8948 (t70) REVERT: k 391 THR cc_start: 0.9505 (p) cc_final: 0.9164 (p) REVERT: k 398 GLN cc_start: 0.9145 (tp-100) cc_final: 0.8883 (tp-100) REVERT: k 404 PHE cc_start: 0.9006 (m-80) cc_final: 0.8731 (m-80) REVERT: k 431 GLN cc_start: 0.9314 (pt0) cc_final: 0.9103 (pm20) REVERT: k 433 TYR cc_start: 0.8865 (p90) cc_final: 0.8285 (p90) REVERT: k 442 ASN cc_start: 0.8669 (t0) cc_final: 0.8183 (t0) REVERT: k 443 GLU cc_start: 0.9087 (tp30) cc_final: 0.8567 (tp30) REVERT: k 444 MET cc_start: 0.8560 (mtp) cc_final: 0.8034 (mtp) REVERT: k 449 TYR cc_start: 0.9111 (m-80) cc_final: 0.7817 (m-80) REVERT: k 471 MET cc_start: 0.7223 (tmm) cc_final: 0.6798 (tmm) REVERT: k 473 PHE cc_start: 0.8042 (m-80) cc_final: 0.6911 (m-80) REVERT: k 481 ILE cc_start: 0.8888 (mp) cc_final: 0.8474 (mp) REVERT: k 482 ASN cc_start: 0.9307 (t0) cc_final: 0.8870 (t0) REVERT: k 484 PHE cc_start: 0.8240 (m-80) cc_final: 0.7975 (m-80) REVERT: k 490 GLN cc_start: 0.8916 (mp10) cc_final: 0.8640 (mm-40) REVERT: k 513 PHE cc_start: 0.8979 (m-80) cc_final: 0.8513 (m-80) REVERT: k 514 ARG cc_start: 0.7797 (ttm-80) cc_final: 0.7536 (ttm110) REVERT: l 72 HIS cc_start: 0.7913 (m-70) cc_final: 0.7279 (m170) REVERT: l 98 MET cc_start: 0.8241 (ppp) cc_final: 0.7944 (tmm) REVERT: l 105 ASN cc_start: 0.9323 (t0) cc_final: 0.8899 (p0) REVERT: l 144 PHE cc_start: 0.9215 (m-80) cc_final: 0.7593 (m-80) REVERT: l 145 HIS cc_start: 0.9340 (t-170) cc_final: 0.7517 (t-170) REVERT: l 147 MET cc_start: 0.8649 (mmp) cc_final: 0.7795 (mmp) REVERT: l 148 TYR cc_start: 0.8629 (m-10) cc_final: 0.7695 (m-10) REVERT: l 151 ASP cc_start: 0.9113 (t0) cc_final: 0.8604 (t0) REVERT: l 171 GLN cc_start: 0.9300 (pm20) cc_final: 0.9050 (pm20) REVERT: l 172 THR cc_start: 0.9102 (p) cc_final: 0.8852 (p) REVERT: l 198 ILE cc_start: 0.9482 (tp) cc_final: 0.9183 (tp) REVERT: l 199 ASP cc_start: 0.8978 (t0) cc_final: 0.8095 (t0) REVERT: l 211 GLU cc_start: 0.9085 (tp30) cc_final: 0.8849 (tp30) REVERT: l 213 LYS cc_start: 0.9472 (mttt) cc_final: 0.8818 (mttt) REVERT: l 216 MET cc_start: 0.9498 (mtm) cc_final: 0.9222 (mtm) REVERT: l 226 GLU cc_start: 0.7838 (tt0) cc_final: 0.7173 (tt0) REVERT: l 236 GLN cc_start: 0.8614 (mm-40) cc_final: 0.8294 (mm-40) REVERT: l 245 ASN cc_start: 0.6021 (p0) cc_final: 0.5412 (p0) REVERT: l 252 PHE cc_start: 0.9144 (p90) cc_final: 0.8941 (p90) REVERT: l 260 GLU cc_start: 0.8184 (tp30) cc_final: 0.7893 (tp30) REVERT: l 262 LYS cc_start: 0.8187 (mttp) cc_final: 0.7868 (mmmt) REVERT: l 267 LYS cc_start: 0.8440 (ttpt) cc_final: 0.7940 (ttpt) REVERT: l 297 GLU cc_start: 0.9546 (tp30) cc_final: 0.8564 (tp30) REVERT: l 309 TRP cc_start: 0.8934 (m100) cc_final: 0.7849 (m100) REVERT: l 334 PHE cc_start: 0.9430 (m-80) cc_final: 0.9005 (m-80) REVERT: l 350 PHE cc_start: 0.9557 (m-80) cc_final: 0.9166 (m-80) REVERT: l 363 GLU cc_start: 0.9270 (tp30) cc_final: 0.8652 (tp30) REVERT: l 366 ARG cc_start: 0.9265 (ttt-90) cc_final: 0.8351 (tmm-80) REVERT: l 386 LEU cc_start: 0.9587 (mt) cc_final: 0.9269 (mt) REVERT: l 443 GLU cc_start: 0.9001 (mm-30) cc_final: 0.8699 (tp30) REVERT: l 448 ILE cc_start: 0.9603 (mt) cc_final: 0.9339 (mt) REVERT: l 463 ASP cc_start: 0.8971 (t0) cc_final: 0.8726 (t70) REVERT: l 468 GLN cc_start: 0.8545 (mm-40) cc_final: 0.8132 (mm-40) REVERT: l 481 ILE cc_start: 0.9074 (pt) cc_final: 0.8269 (pt) REVERT: l 510 ASN cc_start: 0.8970 (t0) cc_final: 0.8488 (t0) REVERT: l 512 TYR cc_start: 0.9233 (m-80) cc_final: 0.8605 (m-10) REVERT: l 513 PHE cc_start: 0.9580 (m-80) cc_final: 0.8890 (m-80) REVERT: l 514 ARG cc_start: 0.9276 (tpp80) cc_final: 0.8876 (tpp80) REVERT: m 72 HIS cc_start: 0.5472 (m170) cc_final: 0.4728 (m170) REVERT: m 110 ASP cc_start: 0.8385 (m-30) cc_final: 0.8052 (m-30) REVERT: m 131 TYR cc_start: 0.9313 (p90) cc_final: 0.8453 (p90) REVERT: m 161 LYS cc_start: 0.9019 (tmtt) cc_final: 0.8783 (tmtt) REVERT: m 163 PHE cc_start: 0.8963 (m-80) cc_final: 0.8736 (m-80) REVERT: m 176 ASP cc_start: 0.9016 (t0) cc_final: 0.8688 (t0) REVERT: m 216 MET cc_start: 0.9230 (mtp) cc_final: 0.8912 (mtp) REVERT: m 228 MET cc_start: 0.7889 (mpp) cc_final: 0.7619 (mpp) REVERT: m 289 GLU cc_start: 0.9257 (mm-30) cc_final: 0.8943 (mp0) REVERT: m 309 TRP cc_start: 0.9262 (m100) cc_final: 0.8852 (m100) REVERT: m 321 MET cc_start: 0.8587 (mpp) cc_final: 0.8123 (mmm) REVERT: m 390 ASP cc_start: 0.8921 (t0) cc_final: 0.8540 (t70) REVERT: m 400 LEU cc_start: 0.9230 (mt) cc_final: 0.8846 (mt) REVERT: m 413 PHE cc_start: 0.8406 (t80) cc_final: 0.8086 (t80) REVERT: m 432 ASP cc_start: 0.7095 (t0) cc_final: 0.6489 (t0) REVERT: m 463 ASP cc_start: 0.9258 (t0) cc_final: 0.9011 (t0) REVERT: m 468 GLN cc_start: 0.9021 (mm-40) cc_final: 0.8609 (mm-40) REVERT: m 473 PHE cc_start: 0.8833 (m-80) cc_final: 0.8177 (m-80) REVERT: m 484 PHE cc_start: 0.8577 (m-80) cc_final: 0.8081 (m-10) REVERT: m 509 LYS cc_start: 0.8808 (mmtp) cc_final: 0.8584 (mmtp) REVERT: n 154 PHE cc_start: 0.9113 (t80) cc_final: 0.8653 (t80) REVERT: n 161 LYS cc_start: 0.8577 (tmmt) cc_final: 0.8240 (tmtt) REVERT: n 163 PHE cc_start: 0.9050 (m-80) cc_final: 0.8539 (m-80) REVERT: n 166 LEU cc_start: 0.9266 (mt) cc_final: 0.8892 (mt) REVERT: n 172 THR cc_start: 0.9435 (p) cc_final: 0.8201 (t) REVERT: n 191 GLN cc_start: 0.8771 (tt0) cc_final: 0.8150 (tp-100) REVERT: n 215 GLN cc_start: 0.9071 (mm110) cc_final: 0.8692 (mm110) REVERT: n 253 ARG cc_start: 0.8212 (ttt-90) cc_final: 0.6988 (ttt-90) REVERT: n 319 SER cc_start: 0.9783 (t) cc_final: 0.9552 (m) REVERT: n 333 ASP cc_start: 0.8177 (t0) cc_final: 0.7490 (t0) REVERT: n 336 ASP cc_start: 0.8930 (t0) cc_final: 0.8408 (t0) REVERT: n 353 LEU cc_start: 0.9654 (tp) cc_final: 0.9447 (tp) REVERT: n 359 LYS cc_start: 0.9770 (tttp) cc_final: 0.9325 (tttp) REVERT: n 360 GLU cc_start: 0.9543 (mm-30) cc_final: 0.8953 (mm-30) REVERT: n 398 GLN cc_start: 0.9492 (tm-30) cc_final: 0.8909 (tm-30) REVERT: n 426 ASP cc_start: 0.9201 (t0) cc_final: 0.8654 (t0) REVERT: n 439 LYS cc_start: 0.9258 (ptpt) cc_final: 0.8672 (mtmt) REVERT: n 442 ASN cc_start: 0.9283 (t0) cc_final: 0.9018 (t0) REVERT: n 443 GLU cc_start: 0.8924 (pp20) cc_final: 0.8434 (tm-30) REVERT: n 450 TYR cc_start: 0.9209 (t80) cc_final: 0.8954 (t80) REVERT: n 453 TYR cc_start: 0.7655 (t80) cc_final: 0.7331 (t80) REVERT: n 513 PHE cc_start: 0.9357 (m-80) cc_final: 0.8919 (m-80) REVERT: o 105 ASN cc_start: 0.7320 (m-40) cc_final: 0.7024 (m-40) REVERT: o 145 HIS cc_start: 0.8604 (t-90) cc_final: 0.8395 (t-90) REVERT: o 187 THR cc_start: 0.8356 (m) cc_final: 0.8120 (m) REVERT: o 198 ILE cc_start: 0.9581 (tp) cc_final: 0.9209 (tp) REVERT: o 212 ILE cc_start: 0.9672 (mt) cc_final: 0.9304 (mt) REVERT: o 216 MET cc_start: 0.9599 (mtp) cc_final: 0.9284 (mtp) REVERT: o 250 MET cc_start: 0.7539 (mpp) cc_final: 0.6912 (mpp) REVERT: o 260 GLU cc_start: 0.5762 (tp30) cc_final: 0.5229 (pt0) REVERT: o 309 TRP cc_start: 0.8683 (m100) cc_final: 0.8205 (m100) REVERT: o 334 PHE cc_start: 0.9237 (m-80) cc_final: 0.8823 (m-80) REVERT: o 348 GLU cc_start: 0.9142 (mp0) cc_final: 0.8180 (mp0) REVERT: o 350 PHE cc_start: 0.7813 (p90) cc_final: 0.7059 (p90) REVERT: o 351 LYS cc_start: 0.9130 (mttm) cc_final: 0.8512 (mttm) REVERT: o 354 LEU cc_start: 0.9246 (tp) cc_final: 0.8987 (tp) REVERT: o 372 GLU cc_start: 0.9097 (mp0) cc_final: 0.8871 (mp0) REVERT: o 400 LEU cc_start: 0.8306 (mt) cc_final: 0.7893 (mt) REVERT: o 404 PHE cc_start: 0.7716 (m-80) cc_final: 0.7336 (m-80) REVERT: o 433 TYR cc_start: 0.7939 (p90) cc_final: 0.7734 (p90) REVERT: o 434 PHE cc_start: 0.9492 (p90) cc_final: 0.9213 (p90) REVERT: o 453 TYR cc_start: 0.8754 (t80) cc_final: 0.8333 (t80) REVERT: o 473 PHE cc_start: 0.8674 (p90) cc_final: 0.7874 (p90) REVERT: o 479 ILE cc_start: 0.8606 (pt) cc_final: 0.8383 (pt) REVERT: o 490 GLN cc_start: 0.8510 (mp-120) cc_final: 0.8093 (mm110) REVERT: o 500 MET cc_start: 0.9243 (mmp) cc_final: 0.8551 (mmp) REVERT: o 510 ASN cc_start: 0.9075 (t0) cc_final: 0.7524 (t0) REVERT: o 513 PHE cc_start: 0.9447 (m-80) cc_final: 0.8907 (m-80) REVERT: p 74 TYR cc_start: 0.7629 (m-10) cc_final: 0.7327 (m-10) REVERT: p 78 ASN cc_start: 0.8725 (m-40) cc_final: 0.8233 (m-40) REVERT: p 96 MET cc_start: 0.8651 (mtm) cc_final: 0.7848 (mtm) REVERT: p 101 ARG cc_start: 0.8477 (mmm-85) cc_final: 0.7991 (mmm-85) REVERT: p 109 PHE cc_start: 0.8019 (m-80) cc_final: 0.7690 (m-80) REVERT: p 142 GLU cc_start: 0.8615 (tt0) cc_final: 0.8400 (tt0) REVERT: p 151 ASP cc_start: 0.7831 (t0) cc_final: 0.7449 (t0) REVERT: p 153 MET cc_start: 0.9385 (mtp) cc_final: 0.9069 (mtp) REVERT: p 157 GLN cc_start: 0.8999 (tp40) cc_final: 0.8584 (tp-100) REVERT: p 161 LYS cc_start: 0.9340 (pttt) cc_final: 0.9015 (pttp) REVERT: p 176 ASP cc_start: 0.8860 (t70) cc_final: 0.8608 (t0) REVERT: p 264 ARG cc_start: 0.7349 (mtp180) cc_final: 0.7018 (mtp180) REVERT: p 276 GLN cc_start: 0.9360 (mt0) cc_final: 0.8955 (mt0) REVERT: p 278 LEU cc_start: 0.9540 (tp) cc_final: 0.9219 (tp) REVERT: p 304 ARG cc_start: 0.9098 (mmm160) cc_final: 0.8679 (mmm160) REVERT: p 315 GLN cc_start: 0.8291 (mm110) cc_final: 0.7851 (mm110) REVERT: p 318 LYS cc_start: 0.9361 (mttm) cc_final: 0.8849 (mmmt) REVERT: p 332 PHE cc_start: 0.9206 (t80) cc_final: 0.8550 (t80) REVERT: p 360 GLU cc_start: 0.9384 (mm-30) cc_final: 0.9113 (mm-30) REVERT: p 363 GLU cc_start: 0.8939 (tm-30) cc_final: 0.8306 (tm-30) REVERT: p 391 THR cc_start: 0.9275 (p) cc_final: 0.8544 (t) REVERT: p 412 VAL cc_start: 0.9693 (m) cc_final: 0.9241 (m) REVERT: p 426 ASP cc_start: 0.9423 (t0) cc_final: 0.9089 (t0) REVERT: p 459 LEU cc_start: 0.8321 (mt) cc_final: 0.7942 (mt) REVERT: p 465 LYS cc_start: 0.9228 (mppt) cc_final: 0.8929 (mmtm) REVERT: p 484 PHE cc_start: 0.8502 (m-10) cc_final: 0.8281 (m-10) REVERT: p 513 PHE cc_start: 0.9519 (m-10) cc_final: 0.9191 (m-10) REVERT: q 112 CYS cc_start: 0.8881 (p) cc_final: 0.8608 (p) REVERT: q 123 GLN cc_start: 0.9068 (pt0) cc_final: 0.8424 (pt0) REVERT: q 133 LYS cc_start: 0.7927 (ttpp) cc_final: 0.7651 (pttm) REVERT: q 147 MET cc_start: 0.8343 (mmp) cc_final: 0.7593 (mmp) REVERT: q 153 MET cc_start: 0.8478 (mtp) cc_final: 0.7331 (ttm) REVERT: q 166 LEU cc_start: 0.9659 (tp) cc_final: 0.9424 (tp) REVERT: q 176 ASP cc_start: 0.8898 (t0) cc_final: 0.8661 (t70) REVERT: q 178 TYR cc_start: 0.8102 (m-80) cc_final: 0.7825 (m-80) REVERT: q 191 GLN cc_start: 0.9359 (tt0) cc_final: 0.8693 (tp40) REVERT: q 215 GLN cc_start: 0.9186 (mp-120) cc_final: 0.8907 (mp10) REVERT: q 217 GLU cc_start: 0.9403 (pp20) cc_final: 0.8998 (pp20) REVERT: q 228 MET cc_start: 0.8757 (ptp) cc_final: 0.8447 (ptp) REVERT: q 248 ASN cc_start: 0.9518 (m-40) cc_final: 0.9235 (m-40) REVERT: q 260 GLU cc_start: 0.7640 (pp20) cc_final: 0.7276 (pp20) REVERT: q 282 HIS cc_start: 0.9169 (t-90) cc_final: 0.8882 (t-90) REVERT: q 310 ILE cc_start: 0.9675 (mt) cc_final: 0.9454 (mt) REVERT: q 328 LYS cc_start: 0.9439 (tptm) cc_final: 0.9123 (tppt) REVERT: q 333 ASP cc_start: 0.8489 (t0) cc_final: 0.8270 (t0) REVERT: q 336 ASP cc_start: 0.9107 (t0) cc_final: 0.8668 (t70) REVERT: q 359 LYS cc_start: 0.9176 (ttpt) cc_final: 0.8879 (ttpt) REVERT: q 406 THR cc_start: 0.9521 (p) cc_final: 0.9287 (t) REVERT: q 421 TYR cc_start: 0.9389 (m-10) cc_final: 0.9184 (m-10) REVERT: q 426 ASP cc_start: 0.8474 (t0) cc_final: 0.8155 (t0) REVERT: q 453 TYR cc_start: 0.8458 (t80) cc_final: 0.8236 (t80) REVERT: q 471 MET cc_start: 0.8566 (tpp) cc_final: 0.8328 (tpp) REVERT: q 510 ASN cc_start: 0.9541 (t0) cc_final: 0.9082 (t0) REVERT: q 513 PHE cc_start: 0.9585 (m-10) cc_final: 0.9007 (m-10) REVERT: q 515 ARG cc_start: 0.8459 (ptt180) cc_final: 0.7857 (ttp-170) REVERT: r 68 ILE cc_start: 0.8535 (pt) cc_final: 0.7659 (mm) REVERT: r 98 MET cc_start: 0.7252 (ptm) cc_final: 0.7010 (ptt) REVERT: r 105 ASN cc_start: 0.9071 (m110) cc_final: 0.8790 (m110) REVERT: r 134 ASP cc_start: 0.8735 (t0) cc_final: 0.8368 (t0) REVERT: r 145 HIS cc_start: 0.9362 (t-90) cc_final: 0.8593 (t-90) REVERT: r 151 ASP cc_start: 0.9181 (t0) cc_final: 0.8526 (t0) REVERT: r 154 PHE cc_start: 0.8827 (t80) cc_final: 0.8321 (t80) REVERT: r 176 ASP cc_start: 0.9014 (m-30) cc_final: 0.8202 (p0) REVERT: r 185 THR cc_start: 0.8863 (p) cc_final: 0.8055 (p) REVERT: r 189 TYR cc_start: 0.8420 (m-80) cc_final: 0.7933 (m-80) REVERT: r 191 GLN cc_start: 0.9105 (tt0) cc_final: 0.8782 (tt0) REVERT: r 194 VAL cc_start: 0.9477 (t) cc_final: 0.9223 (p) REVERT: r 212 ILE cc_start: 0.9655 (mt) cc_final: 0.9419 (mt) REVERT: r 213 LYS cc_start: 0.8701 (mtpt) cc_final: 0.8367 (mtpt) REVERT: r 216 MET cc_start: 0.9109 (mtp) cc_final: 0.8638 (mtp) REVERT: r 262 LYS cc_start: 0.8671 (mttt) cc_final: 0.8030 (mtmm) REVERT: r 266 LEU cc_start: 0.9432 (mt) cc_final: 0.9205 (mt) REVERT: r 267 LYS cc_start: 0.8730 (tttt) cc_final: 0.8147 (tptt) REVERT: r 293 ILE cc_start: 0.9471 (mm) cc_final: 0.9225 (mm) REVERT: r 297 GLU cc_start: 0.9135 (mm-30) cc_final: 0.8189 (mm-30) REVERT: r 300 LEU cc_start: 0.9325 (mt) cc_final: 0.8929 (mt) REVERT: r 309 TRP cc_start: 0.9223 (m100) cc_final: 0.7995 (m100) REVERT: r 321 MET cc_start: 0.8912 (ptt) cc_final: 0.8640 (ptt) REVERT: r 333 ASP cc_start: 0.8195 (t0) cc_final: 0.7913 (t0) REVERT: r 336 ASP cc_start: 0.9108 (t0) cc_final: 0.8826 (t0) REVERT: r 339 ASP cc_start: 0.8767 (t0) cc_final: 0.8318 (t0) REVERT: r 350 PHE cc_start: 0.9391 (m-10) cc_final: 0.9011 (m-80) REVERT: r 390 ASP cc_start: 0.8238 (t0) cc_final: 0.7641 (t0) REVERT: r 404 PHE cc_start: 0.8878 (m-80) cc_final: 0.8135 (m-80) REVERT: r 407 ASP cc_start: 0.8306 (t0) cc_final: 0.7143 (t70) REVERT: r 410 LYS cc_start: 0.9177 (mptt) cc_final: 0.8581 (mptt) REVERT: r 421 TYR cc_start: 0.8503 (m-80) cc_final: 0.8239 (m-10) REVERT: r 424 TYR cc_start: 0.8683 (m-80) cc_final: 0.8222 (m-80) REVERT: r 425 ILE cc_start: 0.9403 (mt) cc_final: 0.9182 (mt) REVERT: r 427 GLN cc_start: 0.9326 (pm20) cc_final: 0.9123 (pt0) REVERT: r 431 GLN cc_start: 0.8080 (mp10) cc_final: 0.7658 (mp10) REVERT: r 442 ASN cc_start: 0.9234 (t0) cc_final: 0.9021 (t0) REVERT: r 484 PHE cc_start: 0.8593 (m-80) cc_final: 0.7690 (m-80) REVERT: r 515 ARG cc_start: 0.8452 (ttp80) cc_final: 0.8221 (ttp80) REVERT: s 90 GLN cc_start: 0.9382 (mm-40) cc_final: 0.8960 (mp10) REVERT: s 98 MET cc_start: 0.7177 (ppp) cc_final: 0.6779 (ppp) REVERT: s 134 ASP cc_start: 0.9018 (t0) cc_final: 0.8718 (t0) REVERT: s 136 VAL cc_start: 0.9590 (t) cc_final: 0.9335 (m) REVERT: s 145 HIS cc_start: 0.9148 (t-90) cc_final: 0.8283 (t-90) REVERT: s 147 MET cc_start: 0.8899 (mtt) cc_final: 0.8619 (tpp) REVERT: s 151 ASP cc_start: 0.8455 (t0) cc_final: 0.8187 (t70) REVERT: s 153 MET cc_start: 0.9682 (mmt) cc_final: 0.9276 (mmm) REVERT: s 157 GLN cc_start: 0.8808 (tp-100) cc_final: 0.7796 (tp40) REVERT: s 189 TYR cc_start: 0.8471 (m-80) cc_final: 0.7671 (m-80) REVERT: s 191 GLN cc_start: 0.9152 (tp-100) cc_final: 0.8811 (tp40) REVERT: s 212 ILE cc_start: 0.9780 (mt) cc_final: 0.9477 (mt) REVERT: s 213 LYS cc_start: 0.8958 (mtmt) cc_final: 0.8650 (mttm) REVERT: s 216 MET cc_start: 0.9419 (mtm) cc_final: 0.9096 (mtm) REVERT: s 235 LEU cc_start: 0.8586 (tp) cc_final: 0.8293 (pp) REVERT: s 265 GLN cc_start: 0.9239 (pt0) cc_final: 0.8597 (pm20) REVERT: s 277 ASP cc_start: 0.9537 (m-30) cc_final: 0.9284 (m-30) REVERT: s 297 GLU cc_start: 0.9565 (tp30) cc_final: 0.8771 (mm-30) REVERT: s 299 MET cc_start: 0.9282 (mtm) cc_final: 0.8904 (mmm) REVERT: s 304 ARG cc_start: 0.8851 (tpp80) cc_final: 0.8327 (mmm160) REVERT: s 309 TRP cc_start: 0.8721 (m100) cc_final: 0.8403 (m100) REVERT: s 311 ASN cc_start: 0.9512 (m-40) cc_final: 0.8831 (t0) REVERT: s 334 PHE cc_start: 0.9407 (m-80) cc_final: 0.8710 (m-80) REVERT: s 345 TRP cc_start: 0.8900 (p-90) cc_final: 0.8186 (p-90) REVERT: s 350 PHE cc_start: 0.9382 (m-80) cc_final: 0.9050 (m-10) REVERT: s 376 ILE cc_start: 0.9403 (tp) cc_final: 0.9201 (tp) REVERT: s 395 TYR cc_start: 0.6299 (m-80) cc_final: 0.5997 (m-10) REVERT: s 404 PHE cc_start: 0.8517 (m-80) cc_final: 0.7721 (m-80) REVERT: s 413 PHE cc_start: 0.9137 (t80) cc_final: 0.8919 (t80) REVERT: s 432 ASP cc_start: 0.9359 (t70) cc_final: 0.9088 (t0) REVERT: s 434 PHE cc_start: 0.9264 (p90) cc_final: 0.8980 (p90) REVERT: s 456 LEU cc_start: 0.9494 (pp) cc_final: 0.9284 (pp) REVERT: s 481 ILE cc_start: 0.9116 (mm) cc_final: 0.8716 (mm) REVERT: s 497 GLN cc_start: 0.7919 (mt0) cc_final: 0.7366 (mp10) REVERT: s 500 MET cc_start: 0.9021 (ttm) cc_final: 0.8764 (mmm) REVERT: s 514 ARG cc_start: 0.8176 (mtp85) cc_final: 0.7751 (tpp80) REVERT: s 516 VAL cc_start: 0.9445 (t) cc_final: 0.9232 (t) REVERT: t 110 ASP cc_start: 0.7901 (m-30) cc_final: 0.7359 (t0) REVERT: t 131 TYR cc_start: 0.8389 (p90) cc_final: 0.8187 (p90) REVERT: t 142 GLU cc_start: 0.6328 (tt0) cc_final: 0.5842 (tt0) REVERT: t 144 PHE cc_start: 0.8142 (m-10) cc_final: 0.6844 (m-10) REVERT: t 147 MET cc_start: 0.8028 (mmt) cc_final: 0.7538 (mmt) REVERT: t 153 MET cc_start: 0.9418 (mtp) cc_final: 0.8804 (mtm) REVERT: t 154 PHE cc_start: 0.9099 (t80) cc_final: 0.8823 (t80) REVERT: t 166 LEU cc_start: 0.9246 (mt) cc_final: 0.8932 (mt) REVERT: t 176 ASP cc_start: 0.8716 (m-30) cc_final: 0.8381 (m-30) REVERT: t 183 GLN cc_start: 0.9015 (tp-100) cc_final: 0.8275 (pp30) REVERT: t 199 ASP cc_start: 0.9103 (t0) cc_final: 0.8896 (t70) REVERT: t 299 MET cc_start: 0.8683 (mtp) cc_final: 0.8338 (mtt) REVERT: t 305 GLU cc_start: 0.9039 (mt-10) cc_final: 0.8271 (mt-10) REVERT: t 318 LYS cc_start: 0.9384 (mtpp) cc_final: 0.8495 (mtpp) REVERT: t 345 TRP cc_start: 0.8958 (t60) cc_final: 0.8403 (t60) REVERT: t 348 GLU cc_start: 0.8687 (pt0) cc_final: 0.7747 (tt0) REVERT: t 349 SER cc_start: 0.9824 (p) cc_final: 0.9559 (m) REVERT: t 350 PHE cc_start: 0.9613 (m-10) cc_final: 0.9220 (m-10) REVERT: t 356 GLN cc_start: 0.9265 (tp40) cc_final: 0.8233 (tp-100) REVERT: t 359 LYS cc_start: 0.9643 (tttp) cc_final: 0.9242 (tttp) REVERT: t 360 GLU cc_start: 0.9527 (mt-10) cc_final: 0.9089 (mt-10) REVERT: t 363 GLU cc_start: 0.9148 (tp30) cc_final: 0.8901 (tp30) REVERT: t 364 ILE cc_start: 0.9497 (mt) cc_final: 0.9242 (mt) REVERT: t 375 PHE cc_start: 0.9500 (p90) cc_final: 0.9057 (p90) REVERT: t 381 ASN cc_start: 0.8982 (m-40) cc_final: 0.8444 (p0) REVERT: t 385 VAL cc_start: 0.9741 (t) cc_final: 0.9436 (p) REVERT: t 400 LEU cc_start: 0.9361 (mt) cc_final: 0.9027 (mt) REVERT: t 413 PHE cc_start: 0.8918 (t80) cc_final: 0.8488 (t80) REVERT: t 432 ASP cc_start: 0.6473 (t0) cc_final: 0.3607 (m-30) REVERT: t 453 TYR cc_start: 0.6800 (t80) cc_final: 0.6409 (t80) REVERT: t 481 ILE cc_start: 0.9367 (mt) cc_final: 0.9074 (mm) REVERT: t 484 PHE cc_start: 0.7310 (m-80) cc_final: 0.6547 (m-80) REVERT: t 510 ASN cc_start: 0.9356 (t0) cc_final: 0.8758 (p0) REVERT: u 71 ASP cc_start: 0.7504 (t0) cc_final: 0.6615 (t0) REVERT: u 75 ASN cc_start: 0.8791 (t0) cc_final: 0.8555 (t0) REVERT: u 105 ASN cc_start: 0.8489 (m-40) cc_final: 0.7824 (t0) REVERT: u 147 MET cc_start: 0.8871 (mtp) cc_final: 0.8286 (mtp) REVERT: u 157 GLN cc_start: 0.8521 (tm-30) cc_final: 0.7819 (tm-30) REVERT: u 172 THR cc_start: 0.9454 (p) cc_final: 0.9246 (t) REVERT: u 204 ASP cc_start: 0.8979 (t0) cc_final: 0.8777 (t0) REVERT: u 214 LYS cc_start: 0.9245 (mttt) cc_final: 0.8867 (mttt) REVERT: u 216 MET cc_start: 0.9489 (tmm) cc_final: 0.9083 (tpp) REVERT: u 221 LEU cc_start: 0.9388 (mt) cc_final: 0.9059 (mt) REVERT: u 226 GLU cc_start: 0.8603 (tm-30) cc_final: 0.7988 (pp20) REVERT: u 240 ASN cc_start: 0.8158 (m110) cc_final: 0.7631 (m110) REVERT: u 250 MET cc_start: 0.8060 (mmm) cc_final: 0.7581 (mmm) REVERT: u 255 ASP cc_start: 0.8597 (m-30) cc_final: 0.8312 (m-30) REVERT: u 309 TRP cc_start: 0.9070 (m100) cc_final: 0.7289 (m100) REVERT: u 356 GLN cc_start: 0.9466 (tp40) cc_final: 0.9111 (tp-100) REVERT: u 358 ASP cc_start: 0.8763 (m-30) cc_final: 0.8556 (m-30) REVERT: u 367 GLN cc_start: 0.8893 (mt0) cc_final: 0.8531 (mm110) REVERT: u 391 THR cc_start: 0.8834 (p) cc_final: 0.8585 (p) REVERT: u 404 PHE cc_start: 0.8043 (m-80) cc_final: 0.7182 (m-80) REVERT: u 417 LEU cc_start: 0.9844 (tp) cc_final: 0.9570 (tp) REVERT: u 426 ASP cc_start: 0.9350 (t0) cc_final: 0.9010 (t0) REVERT: u 428 TYR cc_start: 0.8977 (m-10) cc_final: 0.8653 (m-10) REVERT: u 449 TYR cc_start: 0.7965 (m-80) cc_final: 0.7571 (m-80) REVERT: u 459 LEU cc_start: 0.5243 (tp) cc_final: 0.4949 (tp) REVERT: u 487 SER cc_start: 0.9035 (p) cc_final: 0.8717 (p) REVERT: u 510 ASN cc_start: 0.9373 (t0) cc_final: 0.9144 (t0) REVERT: u 515 ARG cc_start: 0.7688 (ttt180) cc_final: 0.6410 (ttt180) REVERT: v 89 THR cc_start: 0.9366 (p) cc_final: 0.8874 (p) REVERT: v 90 GLN cc_start: 0.8570 (mm110) cc_final: 0.8305 (mp10) REVERT: v 105 ASN cc_start: 0.8193 (m110) cc_final: 0.7897 (m110) REVERT: v 142 GLU cc_start: 0.8930 (tt0) cc_final: 0.8556 (tt0) REVERT: v 145 HIS cc_start: 0.8866 (t-90) cc_final: 0.8156 (t-90) REVERT: v 147 MET cc_start: 0.7094 (mtt) cc_final: 0.6759 (mtt) REVERT: v 153 MET cc_start: 0.9161 (mtt) cc_final: 0.8898 (mtt) REVERT: v 166 LEU cc_start: 0.9312 (tp) cc_final: 0.9035 (tp) REVERT: v 180 HIS cc_start: 0.8690 (t-90) cc_final: 0.7430 (t-90) REVERT: v 228 MET cc_start: 0.7329 (ttp) cc_final: 0.7034 (ttp) REVERT: v 245 ASN cc_start: 0.5886 (p0) cc_final: 0.5545 (p0) REVERT: v 279 ARG cc_start: 0.8734 (ttm-80) cc_final: 0.8271 (ttm-80) REVERT: v 285 ASP cc_start: 0.9336 (p0) cc_final: 0.8623 (m-30) REVERT: v 297 GLU cc_start: 0.9288 (tp30) cc_final: 0.8845 (tp30) REVERT: v 300 LEU cc_start: 0.9717 (mt) cc_final: 0.9434 (mt) REVERT: v 301 GLU cc_start: 0.7627 (mt-10) cc_final: 0.6956 (mt-10) REVERT: v 305 GLU cc_start: 0.9041 (tm-30) cc_final: 0.8807 (tm-30) REVERT: v 309 TRP cc_start: 0.7868 (m100) cc_final: 0.7560 (m100) REVERT: v 345 TRP cc_start: 0.7655 (m100) cc_final: 0.7249 (m100) REVERT: v 359 LYS cc_start: 0.9642 (mtmt) cc_final: 0.9131 (mtmt) REVERT: v 377 ILE cc_start: 0.9262 (mm) cc_final: 0.8872 (tp) REVERT: v 404 PHE cc_start: 0.9188 (m-80) cc_final: 0.8857 (m-80) REVERT: v 405 SER cc_start: 0.9454 (t) cc_final: 0.9044 (p) REVERT: v 452 PRO cc_start: 0.9245 (Cg_endo) cc_final: 0.9008 (Cg_exo) REVERT: v 460 ARG cc_start: 0.8451 (mmm-85) cc_final: 0.7892 (mmm-85) REVERT: v 471 MET cc_start: 0.8950 (ttt) cc_final: 0.8472 (ttt) REVERT: v 473 PHE cc_start: 0.9058 (m-80) cc_final: 0.8528 (m-80) REVERT: v 476 ARG cc_start: 0.8039 (mtm180) cc_final: 0.7624 (ptp-110) REVERT: v 497 GLN cc_start: 0.8403 (mt0) cc_final: 0.8127 (mm110) REVERT: v 498 SER cc_start: 0.9533 (t) cc_final: 0.8954 (t) REVERT: v 513 PHE cc_start: 0.9332 (m-80) cc_final: 0.8987 (m-80) REVERT: v 517 TYR cc_start: 0.9069 (m-80) cc_final: 0.8692 (m-80) REVERT: w 96 MET cc_start: 0.7875 (ptp) cc_final: 0.6984 (ptp) REVERT: w 109 PHE cc_start: 0.6931 (m-80) cc_final: 0.5682 (m-80) REVERT: w 115 GLN cc_start: 0.8916 (mt0) cc_final: 0.8704 (mt0) REVERT: w 130 VAL cc_start: 0.9573 (m) cc_final: 0.9251 (p) REVERT: w 144 PHE cc_start: 0.9276 (m-80) cc_final: 0.8800 (m-10) REVERT: w 178 TYR cc_start: 0.9091 (m-80) cc_final: 0.8444 (m-80) REVERT: w 254 ILE cc_start: 0.9533 (mt) cc_final: 0.9300 (mt) REVERT: w 256 LYS cc_start: 0.9360 (pttt) cc_final: 0.8623 (ptpt) REVERT: w 257 GLN cc_start: 0.9464 (mt0) cc_final: 0.9190 (mt0) REVERT: w 265 GLN cc_start: 0.9217 (pt0) cc_final: 0.9002 (pt0) REVERT: w 272 ILE cc_start: 0.7890 (mt) cc_final: 0.7664 (mt) REVERT: w 294 LEU cc_start: 0.9306 (tp) cc_final: 0.8427 (tp) REVERT: w 309 TRP cc_start: 0.9152 (m100) cc_final: 0.8132 (m100) REVERT: w 311 ASN cc_start: 0.9753 (m110) cc_final: 0.9492 (m-40) REVERT: w 312 TYR cc_start: 0.9115 (t80) cc_final: 0.8810 (t80) REVERT: w 357 ILE cc_start: 0.9405 (mm) cc_final: 0.9190 (mm) REVERT: w 359 LYS cc_start: 0.9234 (tttp) cc_final: 0.8938 (tttt) REVERT: w 376 ILE cc_start: 0.9306 (mt) cc_final: 0.8775 (tp) REVERT: w 377 ILE cc_start: 0.8604 (mp) cc_final: 0.8022 (tp) REVERT: w 384 ASN cc_start: 0.9342 (m-40) cc_final: 0.9041 (m-40) REVERT: w 391 THR cc_start: 0.9123 (p) cc_final: 0.8881 (p) REVERT: w 404 PHE cc_start: 0.9237 (m-80) cc_final: 0.8716 (m-80) REVERT: w 410 LYS cc_start: 0.8887 (mmtt) cc_final: 0.8630 (mmtt) REVERT: w 420 LYS cc_start: 0.9307 (tttp) cc_final: 0.9030 (tptp) REVERT: w 449 TYR cc_start: 0.8719 (m-80) cc_final: 0.8373 (m-80) REVERT: w 460 ARG cc_start: 0.9010 (pmt-80) cc_final: 0.8546 (ttp80) REVERT: w 471 MET cc_start: 0.7429 (tmm) cc_final: 0.7033 (tmm) REVERT: w 473 PHE cc_start: 0.8691 (m-80) cc_final: 0.7254 (m-80) REVERT: w 487 SER cc_start: 0.8498 (m) cc_final: 0.8296 (m) REVERT: w 517 TYR cc_start: 0.9522 (m-10) cc_final: 0.9265 (m-10) REVERT: x 96 MET cc_start: 0.9040 (mmp) cc_final: 0.8744 (mmm) REVERT: x 105 ASN cc_start: 0.8061 (m110) cc_final: 0.7792 (m110) REVERT: x 117 MET cc_start: 0.8831 (mtp) cc_final: 0.8174 (mtp) REVERT: x 125 PHE cc_start: 0.7720 (m-80) cc_final: 0.7396 (m-80) REVERT: x 147 MET cc_start: 0.8585 (mmm) cc_final: 0.8380 (mmm) REVERT: x 153 MET cc_start: 0.7870 (ptt) cc_final: 0.7301 (ptt) REVERT: x 163 PHE cc_start: 0.8812 (m-80) cc_final: 0.8603 (m-80) REVERT: x 166 LEU cc_start: 0.9465 (mt) cc_final: 0.9190 (mt) REVERT: x 178 TYR cc_start: 0.8756 (m-80) cc_final: 0.8286 (m-80) REVERT: x 182 PHE cc_start: 0.8391 (m-80) cc_final: 0.7755 (m-80) REVERT: x 199 ASP cc_start: 0.7494 (t0) cc_final: 0.6895 (t0) REVERT: x 204 ASP cc_start: 0.9506 (t0) cc_final: 0.9284 (t70) REVERT: x 212 ILE cc_start: 0.9783 (mt) cc_final: 0.9463 (mt) REVERT: x 213 LYS cc_start: 0.9551 (mttt) cc_final: 0.8780 (mttt) REVERT: x 217 GLU cc_start: 0.8860 (mm-30) cc_final: 0.8516 (mm-30) REVERT: x 228 MET cc_start: 0.8718 (mtp) cc_final: 0.7941 (mtp) REVERT: x 239 PHE cc_start: 0.8637 (t80) cc_final: 0.8319 (t80) REVERT: x 249 GLU cc_start: 0.8737 (mt-10) cc_final: 0.8173 (mt-10) REVERT: x 252 PHE cc_start: 0.9264 (p90) cc_final: 0.8915 (p90) REVERT: x 262 LYS cc_start: 0.9221 (mttt) cc_final: 0.8897 (mttt) REVERT: x 267 LYS cc_start: 0.8892 (ptmt) cc_final: 0.8655 (ptmt) REVERT: x 302 ILE cc_start: 0.9564 (mt) cc_final: 0.9350 (mt) REVERT: x 303 ASN cc_start: 0.8823 (t160) cc_final: 0.8556 (t160) REVERT: x 311 ASN cc_start: 0.9760 (m-40) cc_final: 0.8908 (m-40) REVERT: x 318 LYS cc_start: 0.9029 (ttmt) cc_final: 0.8416 (ttmm) REVERT: x 321 MET cc_start: 0.9534 (ptp) cc_final: 0.9280 (ptt) REVERT: x 336 ASP cc_start: 0.8790 (t0) cc_final: 0.8311 (t0) REVERT: x 350 PHE cc_start: 0.9619 (m-10) cc_final: 0.9384 (m-10) REVERT: x 360 GLU cc_start: 0.9600 (mm-30) cc_final: 0.9107 (mm-30) REVERT: x 393 ILE cc_start: 0.9148 (pt) cc_final: 0.8561 (tp) REVERT: x 398 GLN cc_start: 0.8761 (tm-30) cc_final: 0.8399 (tm-30) REVERT: x 410 LYS cc_start: 0.9205 (mmmm) cc_final: 0.8877 (mmmm) REVERT: x 412 VAL cc_start: 0.9210 (t) cc_final: 0.8965 (t) REVERT: x 430 LYS cc_start: 0.8855 (mmmt) cc_final: 0.8457 (mmmm) REVERT: x 442 ASN cc_start: 0.8242 (t0) cc_final: 0.7843 (t0) REVERT: x 463 ASP cc_start: 0.8201 (t0) cc_final: 0.7909 (t0) REVERT: x 476 ARG cc_start: 0.7133 (ttm170) cc_final: 0.6450 (ttm170) REVERT: x 481 ILE cc_start: 0.8972 (pt) cc_final: 0.8639 (pt) REVERT: x 486 GLU cc_start: 0.9202 (tm-30) cc_final: 0.8974 (tm-30) REVERT: x 500 MET cc_start: 0.7535 (mtm) cc_final: 0.7003 (mpp) REVERT: x 512 TYR cc_start: 0.8869 (m-80) cc_final: 0.7610 (m-80) REVERT: x 514 ARG cc_start: 0.8493 (mmt90) cc_final: 0.8074 (tpp80) REVERT: y 74 TYR cc_start: 0.8926 (m-80) cc_final: 0.8682 (m-80) REVERT: y 75 ASN cc_start: 0.8254 (t0) cc_final: 0.7916 (t0) REVERT: y 78 ASN cc_start: 0.9142 (m110) cc_final: 0.8775 (m110) REVERT: y 98 MET cc_start: 0.7961 (ptt) cc_final: 0.7664 (ptt) REVERT: y 103 ILE cc_start: 0.9164 (mt) cc_final: 0.8957 (mt) REVERT: y 112 CYS cc_start: 0.9449 (m) cc_final: 0.8810 (p) REVERT: y 115 GLN cc_start: 0.9002 (tp40) cc_final: 0.8757 (tp-100) REVERT: y 117 MET cc_start: 0.7009 (ttt) cc_final: 0.6241 (ttt) REVERT: y 123 GLN cc_start: 0.9264 (pt0) cc_final: 0.8444 (pt0) REVERT: y 134 ASP cc_start: 0.9161 (t0) cc_final: 0.8851 (t0) REVERT: y 153 MET cc_start: 0.7803 (mtp) cc_final: 0.6381 (mmm) REVERT: y 154 PHE cc_start: 0.8755 (t80) cc_final: 0.8406 (t80) REVERT: y 180 HIS cc_start: 0.8673 (t70) cc_final: 0.8440 (t70) REVERT: y 204 ASP cc_start: 0.9509 (t70) cc_final: 0.9122 (p0) REVERT: y 216 MET cc_start: 0.9653 (ptp) cc_final: 0.9407 (ptp) REVERT: y 217 GLU cc_start: 0.9605 (tt0) cc_final: 0.8666 (tp30) REVERT: y 228 MET cc_start: 0.8730 (tpp) cc_final: 0.7901 (tpp) REVERT: y 247 TRP cc_start: 0.7805 (m-10) cc_final: 0.7519 (m-10) REVERT: y 252 PHE cc_start: 0.9338 (p90) cc_final: 0.8953 (p90) REVERT: y 273 GLU cc_start: 0.9237 (mp0) cc_final: 0.8941 (mp0) REVERT: y 304 ARG cc_start: 0.9206 (mmm160) cc_final: 0.8847 (tpt90) REVERT: y 313 SER cc_start: 0.9446 (p) cc_final: 0.8841 (t) REVERT: y 333 ASP cc_start: 0.9115 (t0) cc_final: 0.8876 (t0) REVERT: y 348 GLU cc_start: 0.9127 (tt0) cc_final: 0.7921 (tm-30) REVERT: y 363 GLU cc_start: 0.9084 (tp30) cc_final: 0.8480 (tp30) REVERT: y 375 PHE cc_start: 0.9345 (p90) cc_final: 0.8721 (p90) REVERT: y 404 PHE cc_start: 0.8753 (m-80) cc_final: 0.7847 (m-80) REVERT: y 424 TYR cc_start: 0.8882 (m-80) cc_final: 0.8085 (m-10) REVERT: y 426 ASP cc_start: 0.9145 (t0) cc_final: 0.8743 (t0) REVERT: y 432 ASP cc_start: 0.6072 (t0) cc_final: 0.5597 (t70) REVERT: y 433 TYR cc_start: 0.6701 (p90) cc_final: 0.6390 (p90) REVERT: y 444 MET cc_start: 0.9207 (mmm) cc_final: 0.8708 (mmm) REVERT: y 453 TYR cc_start: 0.7005 (t80) cc_final: 0.6282 (t80) REVERT: y 463 ASP cc_start: 0.9178 (t0) cc_final: 0.8901 (t70) REVERT: y 471 MET cc_start: 0.8409 (tpt) cc_final: 0.8093 (tpp) REVERT: y 481 ILE cc_start: 0.9249 (tp) cc_final: 0.8759 (tp) REVERT: y 497 GLN cc_start: 0.8671 (tp-100) cc_final: 0.8155 (tm-30) REVERT: y 507 LEU cc_start: 0.8987 (tp) cc_final: 0.8769 (tp) REVERT: y 509 LYS cc_start: 0.9047 (mttp) cc_final: 0.8706 (mtmt) REVERT: y 514 ARG cc_start: 0.9020 (ttm-80) cc_final: 0.8218 (tpp80) REVERT: z 148 TYR cc_start: 0.8941 (m-80) cc_final: 0.7806 (m-80) REVERT: z 153 MET cc_start: 0.9065 (mpp) cc_final: 0.8429 (mpp) REVERT: z 166 LEU cc_start: 0.8660 (mt) cc_final: 0.8412 (mt) REVERT: z 173 THR cc_start: 0.9153 (m) cc_final: 0.8867 (p) REVERT: z 176 ASP cc_start: 0.8898 (m-30) cc_final: 0.8156 (m-30) REVERT: z 189 TYR cc_start: 0.8391 (m-80) cc_final: 0.7708 (m-80) REVERT: z 199 ASP cc_start: 0.8985 (t0) cc_final: 0.8534 (t0) REVERT: z 299 MET cc_start: 0.9242 (mtm) cc_final: 0.9006 (mpp) REVERT: z 318 LYS cc_start: 0.9397 (pttp) cc_final: 0.9196 (tmmt) REVERT: z 356 GLN cc_start: 0.9792 (tp-100) cc_final: 0.8717 (tp-100) REVERT: z 360 GLU cc_start: 0.9594 (mm-30) cc_final: 0.8653 (mm-30) REVERT: z 367 GLN cc_start: 0.8044 (mm110) cc_final: 0.7400 (mm-40) REVERT: z 384 ASN cc_start: 0.9651 (m-40) cc_final: 0.9431 (m-40) REVERT: z 426 ASP cc_start: 0.8710 (t70) cc_final: 0.8017 (p0) REVERT: z 432 ASP cc_start: 0.8036 (p0) cc_final: 0.7544 (p0) REVERT: z 444 MET cc_start: 0.9370 (mmp) cc_final: 0.8960 (mmp) REVERT: z 518 VAL cc_start: 0.9046 (p) cc_final: 0.8651 (p) REVERT: A 71 ASP cc_start: 0.9046 (m-30) cc_final: 0.8820 (m-30) REVERT: A 72 HIS cc_start: 0.8002 (m90) cc_final: 0.7197 (m170) REVERT: A 78 ASN cc_start: 0.9346 (m110) cc_final: 0.8909 (p0) REVERT: A 134 ASP cc_start: 0.8532 (t70) cc_final: 0.8318 (t0) REVERT: A 147 MET cc_start: 0.9461 (mtm) cc_final: 0.8758 (mtm) REVERT: A 182 PHE cc_start: 0.8944 (m-80) cc_final: 0.8627 (m-80) REVERT: A 199 ASP cc_start: 0.8171 (t0) cc_final: 0.7804 (t0) REVERT: A 215 GLN cc_start: 0.9391 (mm-40) cc_final: 0.9044 (mm110) REVERT: A 226 GLU cc_start: 0.8312 (tt0) cc_final: 0.7800 (tm-30) REVERT: A 228 MET cc_start: 0.9008 (mmp) cc_final: 0.8561 (mmm) REVERT: A 231 SER cc_start: 0.9316 (p) cc_final: 0.9011 (m) REVERT: A 257 GLN cc_start: 0.8672 (mm-40) cc_final: 0.8091 (mm-40) REVERT: A 297 GLU cc_start: 0.9303 (tp30) cc_final: 0.8953 (tp30) REVERT: A 299 MET cc_start: 0.9626 (mmp) cc_final: 0.9334 (mmm) REVERT: A 309 TRP cc_start: 0.8865 (m100) cc_final: 0.7680 (m100) REVERT: A 315 GLN cc_start: 0.7116 (mt0) cc_final: 0.6614 (mt0) REVERT: A 333 ASP cc_start: 0.7786 (t0) cc_final: 0.7528 (t0) REVERT: A 363 GLU cc_start: 0.9267 (tp30) cc_final: 0.8370 (tp30) REVERT: A 390 ASP cc_start: 0.8264 (t70) cc_final: 0.8010 (t0) REVERT: A 410 LYS cc_start: 0.9493 (mmmm) cc_final: 0.9017 (tptp) REVERT: A 430 LYS cc_start: 0.7949 (tmtt) cc_final: 0.7286 (tmtt) REVERT: A 433 TYR cc_start: 0.7386 (p90) cc_final: 0.7002 (p90) REVERT: A 435 THR cc_start: 0.9522 (p) cc_final: 0.8993 (m) REVERT: A 474 LYS cc_start: 0.9284 (mttt) cc_final: 0.9040 (mmtp) REVERT: A 504 LEU cc_start: 0.9203 (mm) cc_final: 0.8831 (pp) REVERT: A 507 LEU cc_start: 0.7676 (tp) cc_final: 0.7423 (tp) REVERT: B 101 ARG cc_start: 0.9300 (mmt90) cc_final: 0.7897 (tpp-160) REVERT: B 107 ILE cc_start: 0.8831 (pt) cc_final: 0.8630 (pt) REVERT: B 112 CYS cc_start: 0.8312 (p) cc_final: 0.7928 (p) REVERT: B 119 SER cc_start: 0.9235 (t) cc_final: 0.8428 (t) REVERT: B 131 TYR cc_start: 0.7902 (p90) cc_final: 0.7550 (p90) REVERT: B 147 MET cc_start: 0.8970 (mmm) cc_final: 0.8587 (mmm) REVERT: B 148 TYR cc_start: 0.8657 (m-80) cc_final: 0.8410 (m-80) REVERT: B 163 PHE cc_start: 0.7998 (m-10) cc_final: 0.7248 (m-10) REVERT: B 172 THR cc_start: 0.8207 (p) cc_final: 0.7394 (p) REVERT: B 178 TYR cc_start: 0.7813 (m-80) cc_final: 0.6921 (m-80) REVERT: B 182 PHE cc_start: 0.9089 (m-10) cc_final: 0.8445 (m-10) REVERT: B 198 ILE cc_start: 0.9206 (mt) cc_final: 0.8569 (tp) REVERT: B 213 LYS cc_start: 0.9398 (ptpt) cc_final: 0.9076 (mmtt) REVERT: B 217 GLU cc_start: 0.8045 (mm-30) cc_final: 0.7636 (mm-30) REVERT: B 236 GLN cc_start: 0.8494 (tp40) cc_final: 0.7966 (tm-30) REVERT: B 250 MET cc_start: 0.8213 (mtp) cc_final: 0.7786 (mmm) REVERT: B 293 ILE cc_start: 0.9679 (mt) cc_final: 0.9448 (mt) REVERT: B 297 GLU cc_start: 0.9131 (mm-30) cc_final: 0.8883 (mm-30) REVERT: B 303 ASN cc_start: 0.8577 (t160) cc_final: 0.8284 (t0) REVERT: B 304 ARG cc_start: 0.9005 (mmm-85) cc_final: 0.8778 (tpp80) REVERT: B 305 GLU cc_start: 0.9176 (tt0) cc_final: 0.8786 (tt0) REVERT: B 318 LYS cc_start: 0.9279 (tppt) cc_final: 0.8740 (tppt) REVERT: B 321 MET cc_start: 0.8590 (mmp) cc_final: 0.7847 (mmm) REVERT: B 336 ASP cc_start: 0.8101 (t0) cc_final: 0.7607 (t70) REVERT: B 356 GLN cc_start: 0.9494 (tp40) cc_final: 0.9163 (tp40) REVERT: B 363 GLU cc_start: 0.9497 (tp30) cc_final: 0.9006 (tp30) REVERT: B 377 ILE cc_start: 0.9172 (mt) cc_final: 0.8854 (tp) REVERT: B 404 PHE cc_start: 0.8284 (m-80) cc_final: 0.7862 (m-80) REVERT: B 413 PHE cc_start: 0.8948 (t80) cc_final: 0.8561 (t80) REVERT: B 442 ASN cc_start: 0.9113 (t0) cc_final: 0.8811 (p0) REVERT: B 463 ASP cc_start: 0.8861 (t70) cc_final: 0.8587 (t70) REVERT: B 466 ASN cc_start: 0.9011 (p0) cc_final: 0.8756 (p0) REVERT: B 481 ILE cc_start: 0.8712 (pt) cc_final: 0.7947 (pt) REVERT: B 482 ASN cc_start: 0.8410 (t0) cc_final: 0.8047 (t0) REVERT: B 484 PHE cc_start: 0.8894 (m-10) cc_final: 0.8559 (m-10) REVERT: B 486 GLU cc_start: 0.8216 (pm20) cc_final: 0.7640 (pm20) REVERT: B 505 ASN cc_start: 0.9472 (m-40) cc_final: 0.9168 (m-40) REVERT: B 510 ASN cc_start: 0.8280 (t0) cc_final: 0.8030 (t0) REVERT: B 513 PHE cc_start: 0.9027 (m-80) cc_final: 0.8538 (m-80) REVERT: C 96 MET cc_start: 0.8251 (mtm) cc_final: 0.7920 (mtm) REVERT: C 98 MET cc_start: 0.6140 (mtp) cc_final: 0.5791 (mtp) REVERT: C 105 ASN cc_start: 0.8311 (m110) cc_final: 0.7701 (m-40) REVERT: C 107 ILE cc_start: 0.9276 (mt) cc_final: 0.8943 (mt) REVERT: C 119 SER cc_start: 0.9513 (p) cc_final: 0.9050 (m) REVERT: C 123 GLN cc_start: 0.9377 (pt0) cc_final: 0.8813 (pt0) REVERT: C 179 THR cc_start: 0.8550 (t) cc_final: 0.8309 (m) REVERT: C 209 ASP cc_start: 0.9149 (t70) cc_final: 0.8929 (m-30) REVERT: C 211 GLU cc_start: 0.8923 (tp30) cc_final: 0.8302 (tp30) REVERT: C 213 LYS cc_start: 0.9489 (mtmt) cc_final: 0.9010 (mmmt) REVERT: C 222 VAL cc_start: 0.9515 (t) cc_final: 0.9288 (t) REVERT: C 224 ILE cc_start: 0.9161 (pt) cc_final: 0.8766 (mm) REVERT: C 239 PHE cc_start: 0.3608 (m-80) cc_final: 0.3247 (m-80) REVERT: C 249 GLU cc_start: 0.7252 (mt-10) cc_final: 0.6695 (mt-10) REVERT: C 273 GLU cc_start: 0.9249 (mp0) cc_final: 0.8848 (pm20) REVERT: C 285 ASP cc_start: 0.9004 (m-30) cc_final: 0.8763 (m-30) REVERT: C 287 ASP cc_start: 0.9418 (p0) cc_final: 0.8957 (t0) REVERT: C 312 TYR cc_start: 0.9462 (t80) cc_final: 0.8838 (t80) REVERT: C 321 MET cc_start: 0.8976 (pmm) cc_final: 0.8654 (pmm) REVERT: C 334 PHE cc_start: 0.8802 (m-80) cc_final: 0.8123 (m-80) REVERT: C 345 TRP cc_start: 0.9469 (t60) cc_final: 0.8938 (t60) REVERT: C 356 GLN cc_start: 0.9565 (tp40) cc_final: 0.8948 (tp-100) REVERT: C 359 LYS cc_start: 0.9578 (mtpt) cc_final: 0.8994 (mtpt) REVERT: C 360 GLU cc_start: 0.9266 (mp0) cc_final: 0.8845 (mp0) REVERT: C 408 THR cc_start: 0.9586 (p) cc_final: 0.9373 (p) REVERT: C 452 PRO cc_start: 0.9106 (Cg_endo) cc_final: 0.8069 (Cg_exo) REVERT: C 481 ILE cc_start: 0.9181 (pt) cc_final: 0.8950 (pt) REVERT: C 510 ASN cc_start: 0.9437 (t0) cc_final: 0.9100 (t0) REVERT: D 74 TYR cc_start: 0.7574 (m-10) cc_final: 0.7247 (m-10) REVERT: D 83 GLN cc_start: 0.8320 (tm-30) cc_final: 0.8008 (tm-30) REVERT: D 96 MET cc_start: 0.8849 (ptp) cc_final: 0.8292 (ppp) REVERT: D 105 ASN cc_start: 0.8603 (t0) cc_final: 0.8222 (t0) REVERT: D 109 PHE cc_start: 0.9025 (p90) cc_final: 0.8540 (p90) REVERT: D 147 MET cc_start: 0.8919 (mmp) cc_final: 0.8670 (mmp) REVERT: D 166 LEU cc_start: 0.9042 (mt) cc_final: 0.8792 (mt) REVERT: D 191 GLN cc_start: 0.8974 (tt0) cc_final: 0.8139 (tp40) REVERT: D 199 ASP cc_start: 0.8768 (t70) cc_final: 0.8527 (t0) REVERT: D 213 LYS cc_start: 0.9243 (mttt) cc_final: 0.8900 (mttt) REVERT: D 214 LYS cc_start: 0.9222 (mttt) cc_final: 0.8988 (pttt) REVERT: D 228 MET cc_start: 0.8276 (ttt) cc_final: 0.7796 (ttt) REVERT: D 250 MET cc_start: 0.9297 (pmm) cc_final: 0.8851 (pmm) REVERT: D 257 GLN cc_start: 0.8916 (OUTLIER) cc_final: 0.8604 (mp10) REVERT: D 264 ARG cc_start: 0.4739 (mtt90) cc_final: 0.4019 (ttm-80) REVERT: D 273 GLU cc_start: 0.9702 (mp0) cc_final: 0.9480 (mp0) REVERT: D 284 MET cc_start: 0.6035 (ptp) cc_final: 0.5653 (ptp) REVERT: D 294 LEU cc_start: 0.9541 (mt) cc_final: 0.9144 (mt) REVERT: D 309 TRP cc_start: 0.8997 (m100) cc_final: 0.8099 (m100) REVERT: D 332 PHE cc_start: 0.8762 (t80) cc_final: 0.8307 (t80) REVERT: D 345 TRP cc_start: 0.9309 (p-90) cc_final: 0.8755 (p-90) REVERT: D 348 GLU cc_start: 0.8602 (mt-10) cc_final: 0.8113 (mt-10) REVERT: D 372 GLU cc_start: 0.8860 (tt0) cc_final: 0.8549 (tt0) REVERT: D 391 THR cc_start: 0.9444 (p) cc_final: 0.9154 (t) REVERT: D 442 ASN cc_start: 0.9498 (p0) cc_final: 0.9279 (p0) REVERT: D 448 ILE cc_start: 0.9717 (mt) cc_final: 0.9501 (mt) REVERT: D 481 ILE cc_start: 0.8570 (mm) cc_final: 0.8212 (tp) REVERT: D 505 ASN cc_start: 0.9336 (t0) cc_final: 0.9075 (t0) REVERT: D 513 PHE cc_start: 0.9397 (m-80) cc_final: 0.8497 (m-80) REVERT: E 12 TRP cc_start: 0.8383 (m100) cc_final: 0.7347 (m100) REVERT: E 15 MET cc_start: 0.8990 (mtm) cc_final: 0.8540 (ppp) REVERT: E 36 LEU cc_start: 0.7166 (tp) cc_final: 0.6832 (mt) REVERT: E 37 ASP cc_start: 0.8924 (p0) cc_final: 0.8313 (t0) REVERT: E 69 MET cc_start: 0.7872 (ptt) cc_final: 0.7233 (tmm) REVERT: E 79 TYR cc_start: 0.9184 (m-10) cc_final: 0.8904 (m-80) REVERT: E 83 MET cc_start: 0.8261 (tmm) cc_final: 0.8022 (ppp) REVERT: E 112 ASN cc_start: 0.9502 (t0) cc_final: 0.8934 (p0) REVERT: E 146 HIS cc_start: 0.8925 (m-70) cc_final: 0.8623 (m-70) REVERT: E 250 ILE cc_start: 0.8781 (mp) cc_final: 0.8465 (mt) REVERT: E 259 LYS cc_start: 0.9136 (ttpp) cc_final: 0.8710 (ttpp) REVERT: E 330 MET cc_start: 0.7823 (ptm) cc_final: 0.7460 (ptm) REVERT: E 366 ARG cc_start: 0.8930 (ttp-170) cc_final: 0.8615 (ttp-170) REVERT: E 371 MET cc_start: 0.9419 (mmp) cc_final: 0.8856 (mmp) REVERT: E 399 ASP cc_start: 0.9221 (m-30) cc_final: 0.8797 (m-30) REVERT: E 403 PHE cc_start: 0.8764 (m-10) cc_final: 0.8464 (m-10) REVERT: E 457 LEU cc_start: 0.9551 (mt) cc_final: 0.9338 (mt) REVERT: E 470 LEU cc_start: 0.9284 (mt) cc_final: 0.9008 (mt) REVERT: E 479 LYS cc_start: 0.7523 (mtpt) cc_final: 0.7186 (tppt) REVERT: F 1 MET cc_start: 0.7388 (pmm) cc_final: 0.6694 (pmm) REVERT: F 14 LYS cc_start: 0.9215 (mttt) cc_final: 0.8935 (mttt) REVERT: F 15 MET cc_start: 0.9502 (mtp) cc_final: 0.9215 (mmp) REVERT: F 26 GLU cc_start: 0.8591 (mp0) cc_final: 0.8289 (mp0) REVERT: F 83 MET cc_start: 0.7430 (tmm) cc_final: 0.7119 (tmm) REVERT: F 113 LEU cc_start: 0.7529 (mt) cc_final: 0.6794 (mt) REVERT: F 124 ASN cc_start: 0.9631 (t0) cc_final: 0.9377 (t0) REVERT: F 125 MET cc_start: 0.8713 (mtm) cc_final: 0.8498 (mtt) REVERT: F 126 MET cc_start: 0.8892 (mmm) cc_final: 0.8692 (mmm) REVERT: F 127 LEU cc_start: 0.9073 (pp) cc_final: 0.8726 (mm) REVERT: F 132 ASP cc_start: 0.8994 (t70) cc_final: 0.8756 (t0) REVERT: F 146 HIS cc_start: 0.9286 (m-70) cc_final: 0.8777 (m-70) REVERT: F 150 TRP cc_start: 0.8025 (t60) cc_final: 0.7381 (t60) REVERT: F 186 ARG cc_start: 0.6655 (mtp180) cc_final: 0.6106 (mtt180) REVERT: F 221 MET cc_start: -0.0516 (ptp) cc_final: -0.1020 (mmt) REVERT: F 239 HIS cc_start: 0.8545 (p90) cc_final: 0.7978 (p-80) REVERT: F 259 LYS cc_start: 0.7621 (tttp) cc_final: 0.7141 (tppt) REVERT: F 281 ASP cc_start: 0.7977 (t0) cc_final: 0.7286 (p0) REVERT: F 301 MET cc_start: 0.4913 (mmm) cc_final: 0.4405 (mmm) REVERT: F 363 ARG cc_start: 0.8598 (tpp-160) cc_final: 0.7953 (tpp80) REVERT: F 365 PHE cc_start: 0.9595 (m-80) cc_final: 0.9216 (m-80) REVERT: F 371 MET cc_start: 0.7808 (mtp) cc_final: 0.7361 (mtp) REVERT: F 373 LEU cc_start: 0.9306 (mt) cc_final: 0.8958 (mt) REVERT: F 409 GLU cc_start: 0.9787 (mt-10) cc_final: 0.9562 (mt-10) REVERT: F 420 ASP cc_start: 0.9172 (t70) cc_final: 0.8938 (t70) REVERT: F 425 ASN cc_start: 0.9255 (m-40) cc_final: 0.8521 (p0) REVERT: F 436 GLU cc_start: 0.8729 (tp30) cc_final: 0.8236 (tp30) REVERT: F 440 GLU cc_start: 0.8882 (mt-10) cc_final: 0.8573 (mt-10) REVERT: F 445 LYS cc_start: 0.9309 (mtpp) cc_final: 0.8654 (mmtt) REVERT: F 459 GLU cc_start: 0.8687 (mt-10) cc_final: 0.8361 (mt-10) REVERT: F 464 GLU cc_start: 0.8828 (pp20) cc_final: 0.8519 (pp20) REVERT: F 465 ARG cc_start: 0.8471 (mtt180) cc_final: 0.8101 (ttm170) REVERT: F 472 MET cc_start: 0.8653 (mmm) cc_final: 0.7981 (mtp) REVERT: F 479 LYS cc_start: 0.6960 (mttt) cc_final: 0.6475 (tptt) REVERT: F 480 TYR cc_start: 0.9154 (m-80) cc_final: 0.8140 (m-80) REVERT: F 504 GLN cc_start: 0.9553 (tp-100) cc_final: 0.9349 (tp-100) REVERT: G 9 PHE cc_start: 0.9427 (m-10) cc_final: 0.8934 (m-10) REVERT: G 20 PHE cc_start: 0.8014 (m-80) cc_final: 0.7798 (m-80) REVERT: G 31 ILE cc_start: 0.7708 (mt) cc_final: 0.7358 (mt) REVERT: G 42 GLU cc_start: 0.8138 (pp20) cc_final: 0.7618 (tm-30) REVERT: G 43 PHE cc_start: 0.9010 (t80) cc_final: 0.8709 (t80) REVERT: G 48 ASN cc_start: 0.8608 (t0) cc_final: 0.8334 (t0) REVERT: G 70 LYS cc_start: 0.8487 (tptm) cc_final: 0.8156 (mttp) REVERT: G 74 GLU cc_start: 0.9422 (mp0) cc_final: 0.9037 (mp0) REVERT: G 109 VAL cc_start: 0.8392 (p) cc_final: 0.7780 (p) REVERT: G 112 ASN cc_start: 0.7333 (m110) cc_final: 0.7028 (m110) REVERT: G 159 HIS cc_start: 0.8572 (t-90) cc_final: 0.8278 (t-90) REVERT: G 178 ASP cc_start: 0.8496 (t0) cc_final: 0.8228 (t0) REVERT: G 259 LYS cc_start: 0.9010 (tttt) cc_final: 0.8524 (tppt) REVERT: G 262 ASN cc_start: 0.9083 (m-40) cc_final: 0.8718 (t0) REVERT: G 263 GLN cc_start: 0.9330 (mt0) cc_final: 0.9106 (mt0) REVERT: G 265 LYS cc_start: 0.9162 (mtpt) cc_final: 0.8749 (mmmt) REVERT: G 266 LEU cc_start: 0.8573 (mt) cc_final: 0.8179 (mt) REVERT: G 292 MET cc_start: 0.4137 (tpp) cc_final: 0.3205 (tmm) REVERT: G 338 ARG cc_start: 0.5676 (tpp80) cc_final: 0.5470 (ttm-80) REVERT: G 371 MET cc_start: 0.8692 (ptm) cc_final: 0.8272 (tmm) REVERT: G 406 PHE cc_start: 0.8895 (t80) cc_final: 0.8522 (t80) REVERT: G 409 GLU cc_start: 0.9128 (mt-10) cc_final: 0.8823 (mt-10) REVERT: G 413 LYS cc_start: 0.9720 (mttt) cc_final: 0.9383 (mtpt) REVERT: G 416 GLU cc_start: 0.8709 (tp30) cc_final: 0.8213 (tp30) REVERT: G 418 PHE cc_start: 0.9583 (m-80) cc_final: 0.9247 (m-80) REVERT: G 419 LEU cc_start: 0.9644 (mt) cc_final: 0.9404 (mt) REVERT: G 442 ASN cc_start: 0.8396 (m110) cc_final: 0.8156 (m110) REVERT: G 443 ASN cc_start: 0.9214 (m-40) cc_final: 0.8281 (p0) REVERT: G 446 ILE cc_start: 0.7353 (pt) cc_final: 0.6210 (pt) REVERT: G 449 HIS cc_start: 0.8425 (t70) cc_final: 0.7667 (t70) REVERT: G 463 LEU cc_start: 0.9618 (tp) cc_final: 0.9412 (tp) REVERT: G 466 ARG cc_start: 0.8479 (mtt180) cc_final: 0.7825 (ttm110) REVERT: G 469 MET cc_start: 0.8517 (mmp) cc_final: 0.8009 (mmp) REVERT: G 481 ILE cc_start: 0.7222 (mm) cc_final: 0.6995 (mm) REVERT: G 507 GLU cc_start: 0.8882 (mt-10) cc_final: 0.8517 (mt-10) REVERT: H 31 ILE cc_start: 0.7932 (mp) cc_final: 0.7714 (mp) REVERT: H 81 ASN cc_start: 0.8986 (m-40) cc_final: 0.8582 (t0) REVERT: H 98 ASP cc_start: 0.9413 (m-30) cc_final: 0.9069 (p0) REVERT: H 102 TYR cc_start: 0.7305 (m-10) cc_final: 0.6936 (m-80) REVERT: H 103 GLU cc_start: 0.7996 (mt-10) cc_final: 0.7125 (mp0) REVERT: H 137 LEU cc_start: 0.9324 (tp) cc_final: 0.8699 (tp) REVERT: H 146 HIS cc_start: 0.8702 (m-70) cc_final: 0.8034 (m-70) REVERT: H 159 HIS cc_start: 0.9318 (t-90) cc_final: 0.9053 (t-90) REVERT: H 171 ILE cc_start: 0.8114 (mt) cc_final: 0.7878 (mt) REVERT: H 174 LEU cc_start: 0.8535 (mp) cc_final: 0.8302 (mp) REVERT: H 263 GLN cc_start: 0.8770 (mt0) cc_final: 0.8475 (mt0) REVERT: H 274 TYR cc_start: 0.7649 (t80) cc_final: 0.7376 (t80) REVERT: H 292 MET cc_start: 0.6244 (mtt) cc_final: 0.5918 (ptp) REVERT: H 308 MET cc_start: 0.2510 (mmt) cc_final: 0.2083 (mmt) REVERT: H 321 ILE cc_start: 0.8420 (mm) cc_final: 0.8187 (mm) REVERT: H 363 ARG cc_start: 0.9093 (mtp180) cc_final: 0.8523 (ttm110) REVERT: H 365 PHE cc_start: 0.9352 (m-80) cc_final: 0.8749 (m-80) REVERT: H 403 PHE cc_start: 0.9274 (t80) cc_final: 0.8932 (t80) REVERT: H 407 ILE cc_start: 0.9645 (mm) cc_final: 0.8825 (mm) REVERT: H 409 GLU cc_start: 0.9539 (mt-10) cc_final: 0.9234 (mt-10) REVERT: H 413 LYS cc_start: 0.9218 (mmtt) cc_final: 0.8708 (mmtt) REVERT: H 414 PHE cc_start: 0.9206 (t80) cc_final: 0.8505 (t80) REVERT: H 419 LEU cc_start: 0.9577 (mm) cc_final: 0.9371 (mm) REVERT: H 420 ASP cc_start: 0.9305 (t70) cc_final: 0.9101 (t70) REVERT: H 429 LYS cc_start: 0.9369 (tmmt) cc_final: 0.9120 (ptpp) REVERT: H 431 ILE cc_start: 0.7327 (mt) cc_final: 0.6872 (mt) REVERT: H 449 HIS cc_start: 0.7103 (t70) cc_final: 0.6206 (t70) REVERT: H 459 GLU cc_start: 0.9160 (mt-10) cc_final: 0.8858 (mt-10) REVERT: H 472 MET cc_start: 0.9033 (mtm) cc_final: 0.8676 (mtp) REVERT: H 487 MET cc_start: 0.9006 (mtt) cc_final: 0.8677 (mtp) REVERT: H 500 GLN cc_start: 0.9507 (tp40) cc_final: 0.9142 (tp-100) REVERT: I 75 LEU cc_start: 0.9053 (mt) cc_final: 0.8674 (mt) REVERT: I 123 LYS cc_start: 0.8925 (pttm) cc_final: 0.8452 (pttp) REVERT: I 126 MET cc_start: 0.8962 (mtm) cc_final: 0.8576 (mtm) REVERT: I 175 ARG cc_start: 0.8063 (mmp80) cc_final: 0.7513 (tpp80) REVERT: I 181 GLN cc_start: 0.7627 (tp40) cc_final: 0.7048 (tp-100) REVERT: I 182 VAL cc_start: 0.8679 (t) cc_final: 0.8476 (t) REVERT: I 184 TYR cc_start: 0.7011 (t80) cc_final: 0.6717 (t80) REVERT: I 203 LYS cc_start: 0.8299 (ttpt) cc_final: 0.7975 (mmtt) REVERT: I 204 GLU cc_start: 0.7300 (mt-10) cc_final: 0.6818 (tt0) REVERT: I 267 LEU cc_start: 0.8566 (mt) cc_final: 0.8259 (mt) REVERT: I 333 ASP cc_start: 0.6736 (t0) cc_final: 0.5736 (t0) REVERT: I 409 GLU cc_start: 0.9144 (tp30) cc_final: 0.8414 (tm-30) REVERT: I 472 MET cc_start: 0.8582 (mmp) cc_final: 0.8282 (mmp) REVERT: I 481 ILE cc_start: 0.9150 (mm) cc_final: 0.8767 (tp) REVERT: I 501 GLU cc_start: 0.9568 (mm-30) cc_final: 0.9095 (pp20) REVERT: I 504 GLN cc_start: 0.9400 (tp-100) cc_final: 0.8960 (tp40) REVERT: J 31 ILE cc_start: 0.8067 (tt) cc_final: 0.7490 (mp) REVERT: J 94 GLU cc_start: 0.9476 (tt0) cc_final: 0.9089 (tt0) REVERT: J 98 ASP cc_start: 0.8629 (m-30) cc_final: 0.8194 (m-30) REVERT: J 113 LEU cc_start: 0.8449 (mt) cc_final: 0.8030 (mt) REVERT: J 126 MET cc_start: 0.8832 (mtt) cc_final: 0.8433 (mtt) REVERT: J 158 PHE cc_start: 0.9306 (m-80) cc_final: 0.8965 (m-80) REVERT: J 176 ARG cc_start: 0.8779 (ttp-170) cc_final: 0.8453 (ttp80) REVERT: J 183 GLN cc_start: 0.9435 (mp10) cc_final: 0.9035 (mp10) REVERT: J 205 TYR cc_start: 0.8818 (p90) cc_final: 0.8218 (p90) REVERT: J 251 ILE cc_start: 0.8237 (mm) cc_final: 0.7978 (mm) REVERT: J 263 GLN cc_start: 0.9223 (pt0) cc_final: 0.8849 (pp30) REVERT: J 305 MET cc_start: 0.4265 (mmt) cc_final: 0.3458 (mtt) REVERT: J 359 MET cc_start: 0.8436 (pmm) cc_final: 0.6916 (ttt) REVERT: J 367 GLN cc_start: 0.9266 (tp40) cc_final: 0.8469 (tp40) REVERT: J 371 MET cc_start: 0.9291 (mtp) cc_final: 0.8323 (mtm) REVERT: J 396 ILE cc_start: 0.7681 (mm) cc_final: 0.6895 (mm) REVERT: J 401 LEU cc_start: 0.9302 (mm) cc_final: 0.9085 (mm) REVERT: J 405 LYS cc_start: 0.9207 (mttm) cc_final: 0.8948 (mtpp) REVERT: J 410 LEU cc_start: 0.9196 (mt) cc_final: 0.8962 (mt) REVERT: J 420 ASP cc_start: 0.8333 (m-30) cc_final: 0.8009 (m-30) REVERT: J 434 GLU cc_start: 0.9041 (tt0) cc_final: 0.8666 (tm-30) REVERT: J 445 LYS cc_start: 0.8249 (tmtt) cc_final: 0.7696 (tptp) REVERT: J 451 ASP cc_start: 0.8936 (t0) cc_final: 0.8477 (t0) REVERT: J 457 LEU cc_start: 0.8896 (tt) cc_final: 0.8502 (tt) REVERT: J 458 LYS cc_start: 0.8192 (ttpt) cc_final: 0.7878 (ttpt) REVERT: J 459 GLU cc_start: 0.9493 (tm-30) cc_final: 0.9291 (tm-30) REVERT: J 461 GLU cc_start: 0.9129 (mt-10) cc_final: 0.8726 (mt-10) REVERT: J 489 ASP cc_start: 0.8944 (m-30) cc_final: 0.8616 (m-30) REVERT: J 493 MET cc_start: 0.8674 (mmp) cc_final: 0.7750 (mmm) REVERT: J 497 GLU cc_start: 0.9170 (pt0) cc_final: 0.8624 (tm-30) REVERT: J 498 ILE cc_start: 0.9308 (mm) cc_final: 0.8800 (mm) REVERT: J 501 GLU cc_start: 0.9447 (pt0) cc_final: 0.9171 (pt0) REVERT: K 31 ILE cc_start: 0.7117 (mp) cc_final: 0.6215 (tp) REVERT: K 42 GLU cc_start: 0.9053 (pm20) cc_final: 0.8626 (pm20) REVERT: K 86 TYR cc_start: 0.6548 (t80) cc_final: 0.5253 (t80) REVERT: K 87 GLU cc_start: 0.8728 (mm-30) cc_final: 0.7729 (mm-30) REVERT: K 122 ILE cc_start: 0.8452 (mt) cc_final: 0.8140 (mt) REVERT: K 125 MET cc_start: 0.8615 (mmp) cc_final: 0.8278 (mmm) REVERT: K 126 MET cc_start: 0.9357 (mtp) cc_final: 0.9055 (mtp) REVERT: K 133 VAL cc_start: 0.9761 (t) cc_final: 0.9518 (t) REVERT: K 158 PHE cc_start: 0.9192 (m-80) cc_final: 0.8869 (m-10) REVERT: K 202 TYR cc_start: 0.8569 (m-80) cc_final: 0.8209 (m-80) REVERT: K 301 MET cc_start: 0.1476 (mmm) cc_final: 0.1042 (mmt) REVERT: K 305 MET cc_start: 0.5121 (ttm) cc_final: 0.4719 (ptt) REVERT: K 359 MET cc_start: 0.8900 (ptt) cc_final: 0.8286 (ptt) REVERT: K 360 GLU cc_start: 0.9202 (mm-30) cc_final: 0.8815 (mp0) REVERT: K 371 MET cc_start: 0.9509 (mpp) cc_final: 0.9007 (mpp) REVERT: K 379 ARG cc_start: 0.8496 (mmp80) cc_final: 0.7823 (mmm-85) REVERT: K 396 ILE cc_start: 0.8731 (tt) cc_final: 0.8348 (tt) REVERT: K 400 GLU cc_start: 0.8238 (mp0) cc_final: 0.7791 (mp0) REVERT: K 401 LEU cc_start: 0.9306 (mt) cc_final: 0.8931 (mt) REVERT: K 408 ARG cc_start: 0.9488 (mmm160) cc_final: 0.9168 (tpt-90) REVERT: K 410 LEU cc_start: 0.9693 (mt) cc_final: 0.9421 (mt) REVERT: K 411 GLN cc_start: 0.9036 (mt0) cc_final: 0.8400 (mm-40) REVERT: K 419 LEU cc_start: 0.9138 (mt) cc_final: 0.8898 (mt) REVERT: K 420 ASP cc_start: 0.9567 (t0) cc_final: 0.9090 (t0) REVERT: K 423 LYS cc_start: 0.8602 (ptpp) cc_final: 0.8227 (tttp) REVERT: K 448 PHE cc_start: 0.8474 (m-10) cc_final: 0.7919 (m-10) REVERT: K 453 TYR cc_start: 0.7688 (t80) cc_final: 0.7371 (t80) REVERT: K 457 LEU cc_start: 0.9027 (mt) cc_final: 0.8721 (mt) REVERT: K 461 GLU cc_start: 0.8759 (mt-10) cc_final: 0.8451 (mt-10) REVERT: K 465 ARG cc_start: 0.8979 (tpm170) cc_final: 0.8262 (tpp-160) REVERT: K 472 MET cc_start: 0.9322 (mtm) cc_final: 0.8460 (mtp) REVERT: K 493 MET cc_start: 0.8674 (mtm) cc_final: 0.7696 (mtm) REVERT: K 497 GLU cc_start: 0.7540 (tt0) cc_final: 0.6418 (tt0) REVERT: K 498 ILE cc_start: 0.9531 (mt) cc_final: 0.8928 (mt) REVERT: K 501 GLU cc_start: 0.9059 (mm-30) cc_final: 0.8432 (mm-30) REVERT: K 503 LYS cc_start: 0.8845 (mmpt) cc_final: 0.8522 (mmmm) REVERT: L 17 GLU cc_start: 0.8598 (mt-10) cc_final: 0.8372 (pt0) REVERT: L 21 LYS cc_start: 0.8371 (mttt) cc_final: 0.8054 (mmtt) REVERT: L 24 GLU cc_start: 0.8508 (tt0) cc_final: 0.7836 (mt-10) REVERT: L 85 ASN cc_start: 0.9083 (m-40) cc_final: 0.8855 (m-40) REVERT: L 111 LEU cc_start: 0.9403 (tp) cc_final: 0.9160 (tp) REVERT: L 112 ASN cc_start: 0.8317 (m110) cc_final: 0.8001 (m110) REVERT: L 113 LEU cc_start: 0.6940 (mt) cc_final: 0.6131 (mt) REVERT: L 202 TYR cc_start: 0.7287 (m-80) cc_final: 0.6836 (m-80) REVERT: L 208 TYR cc_start: 0.8028 (t80) cc_final: 0.7700 (t80) REVERT: L 209 ASP cc_start: 0.6174 (t70) cc_final: 0.5902 (t0) REVERT: L 215 TYR cc_start: 0.6753 (m-80) cc_final: 0.6549 (m-80) REVERT: L 221 MET cc_start: 0.7388 (mtp) cc_final: 0.7161 (mtp) REVERT: L 259 LYS cc_start: 0.8626 (mttt) cc_final: 0.8403 (ttmt) REVERT: L 265 LYS cc_start: 0.8153 (mmmt) cc_final: 0.7936 (mmmt) REVERT: L 268 GLU cc_start: 0.9210 (tt0) cc_final: 0.8474 (tm-30) REVERT: L 292 MET cc_start: 0.7118 (tpp) cc_final: 0.6778 (ttp) REVERT: L 363 ARG cc_start: 0.8647 (mtt180) cc_final: 0.8185 (ttm110) REVERT: L 401 LEU cc_start: 0.9670 (mt) cc_final: 0.9372 (mt) REVERT: L 414 PHE cc_start: 0.8861 (t80) cc_final: 0.8647 (t80) REVERT: L 419 LEU cc_start: 0.9422 (mt) cc_final: 0.9100 (mt) REVERT: L 420 ASP cc_start: 0.9036 (t0) cc_final: 0.8734 (t0) REVERT: L 468 ASN cc_start: 0.9654 (m110) cc_final: 0.9398 (m110) REVERT: L 487 MET cc_start: 0.8701 (mmt) cc_final: 0.8213 (mmt) REVERT: L 504 GLN cc_start: 0.9127 (mt0) cc_final: 0.8828 (mm-40) REVERT: M 12 TRP cc_start: 0.7500 (m-90) cc_final: 0.5991 (m-90) REVERT: M 31 ILE cc_start: 0.8607 (tp) cc_final: 0.8333 (tp) REVERT: M 38 ASP cc_start: 0.8461 (p0) cc_final: 0.7887 (p0) REVERT: M 41 ARG cc_start: 0.9092 (ptp90) cc_final: 0.8583 (ptp90) REVERT: M 45 VAL cc_start: 0.8023 (t) cc_final: 0.7476 (t) REVERT: M 74 GLU cc_start: 0.9308 (mt-10) cc_final: 0.9060 (mt-10) REVERT: M 75 LEU cc_start: 0.9084 (mt) cc_final: 0.8765 (mt) REVERT: M 79 TYR cc_start: 0.9403 (m-10) cc_final: 0.9004 (m-80) REVERT: M 81 ASN cc_start: 0.9122 (m110) cc_final: 0.8912 (m110) REVERT: M 86 TYR cc_start: 0.7786 (t80) cc_final: 0.7394 (t80) REVERT: M 98 ASP cc_start: 0.9198 (m-30) cc_final: 0.8663 (p0) REVERT: M 137 LEU cc_start: 0.9551 (mt) cc_final: 0.9307 (mt) REVERT: M 146 HIS cc_start: 0.9265 (m-70) cc_final: 0.8744 (m-70) REVERT: M 207 ILE cc_start: 0.8460 (mm) cc_final: 0.8175 (mm) REVERT: M 239 HIS cc_start: 0.8350 (p-80) cc_final: 0.6851 (p-80) REVERT: M 271 VAL cc_start: 0.9139 (p) cc_final: 0.8939 (p) REVERT: M 328 MET cc_start: 0.5716 (tpt) cc_final: 0.5210 (mmm) REVERT: M 350 LEU cc_start: 0.7939 (mt) cc_final: 0.7719 (mt) REVERT: M 366 ARG cc_start: 0.8642 (ttp-170) cc_final: 0.8310 (ptm-80) REVERT: M 367 GLN cc_start: 0.8473 (tt0) cc_final: 0.8201 (tt0) REVERT: M 371 MET cc_start: 0.9351 (mtp) cc_final: 0.8884 (mtp) REVERT: M 373 LEU cc_start: 0.9501 (mt) cc_final: 0.9274 (mt) REVERT: M 401 LEU cc_start: 0.9243 (mt) cc_final: 0.8999 (mt) REVERT: M 406 PHE cc_start: 0.9471 (t80) cc_final: 0.9182 (t80) REVERT: M 420 ASP cc_start: 0.9431 (t70) cc_final: 0.9144 (t0) REVERT: M 426 LEU cc_start: 0.9237 (mt) cc_final: 0.9027 (mt) REVERT: M 449 HIS cc_start: 0.8425 (t70) cc_final: 0.7570 (t70) REVERT: M 457 LEU cc_start: 0.9381 (mt) cc_final: 0.9159 (mt) REVERT: M 472 MET cc_start: 0.8324 (mtp) cc_final: 0.7862 (mtp) REVERT: M 487 MET cc_start: 0.9120 (mtt) cc_final: 0.8694 (mtp) REVERT: M 493 MET cc_start: 0.8738 (mtm) cc_final: 0.8331 (mtm) REVERT: M 496 GLU cc_start: 0.8783 (pp20) cc_final: 0.8401 (tm-30) REVERT: M 498 ILE cc_start: 0.7709 (mt) cc_final: 0.7462 (mt) REVERT: M 500 GLN cc_start: 0.8889 (mm110) cc_final: 0.8619 (mm-40) REVERT: M 504 GLN cc_start: 0.8516 (tp40) cc_final: 0.8025 (tp40) REVERT: M 507 GLU cc_start: 0.9350 (mt-10) cc_final: 0.8948 (mm-30) REVERT: N 24 GLU cc_start: 0.9306 (pt0) cc_final: 0.9050 (pt0) REVERT: N 66 GLU cc_start: 0.6676 (mp0) cc_final: 0.6401 (mp0) REVERT: N 69 MET cc_start: 0.8627 (mmp) cc_final: 0.7875 (mmm) REVERT: N 147 PHE cc_start: 0.8902 (t80) cc_final: 0.8199 (t80) REVERT: N 149 ARG cc_start: 0.9132 (mtt180) cc_final: 0.8662 (mtt180) REVERT: N 150 TRP cc_start: 0.8856 (t60) cc_final: 0.7535 (t60) REVERT: N 180 ARG cc_start: 0.7620 (mtt90) cc_final: 0.6637 (mtt90) REVERT: N 183 GLN cc_start: 0.7797 (tp-100) cc_final: 0.7477 (tp-100) REVERT: N 207 ILE cc_start: 0.8649 (tp) cc_final: 0.8351 (tp) REVERT: N 221 MET cc_start: 0.3967 (mmt) cc_final: 0.3043 (mmt) REVERT: N 239 HIS cc_start: 0.7883 (p-80) cc_final: 0.7664 (p-80) REVERT: N 248 LYS cc_start: 0.5000 (mmtt) cc_final: 0.4641 (mmtt) REVERT: N 265 LYS cc_start: 0.8890 (tttt) cc_final: 0.8660 (tptt) REVERT: N 400 GLU cc_start: 0.9219 (mm-30) cc_final: 0.8723 (mm-30) REVERT: N 410 LEU cc_start: 0.8973 (mt) cc_final: 0.8668 (mp) REVERT: N 414 PHE cc_start: 0.9178 (t80) cc_final: 0.7255 (t80) REVERT: N 432 ILE cc_start: 0.9100 (mp) cc_final: 0.8809 (tp) REVERT: N 442 ASN cc_start: 0.7785 (m-40) cc_final: 0.7579 (m-40) REVERT: N 459 GLU cc_start: 0.9385 (mm-30) cc_final: 0.9157 (mm-30) REVERT: N 464 GLU cc_start: 0.9306 (tt0) cc_final: 0.9062 (tt0) REVERT: N 507 GLU cc_start: 0.9106 (tt0) cc_final: 0.8524 (tm-30) REVERT: O 15 MET cc_start: 0.7544 (mtp) cc_final: 0.7236 (mtm) REVERT: O 36 LEU cc_start: 0.8466 (mt) cc_final: 0.8146 (mt) REVERT: O 80 ARG cc_start: 0.8697 (mtp85) cc_final: 0.8339 (mtp180) REVERT: O 83 MET cc_start: 0.8449 (ttp) cc_final: 0.7630 (tpp) REVERT: O 137 LEU cc_start: 0.9670 (mt) cc_final: 0.9435 (mt) REVERT: O 161 ILE cc_start: 0.8588 (mm) cc_final: 0.8260 (mm) REVERT: O 172 LYS cc_start: 0.6888 (mmtt) cc_final: 0.6546 (mttt) REVERT: O 274 TYR cc_start: 0.9254 (t80) cc_final: 0.8603 (t80) REVERT: O 292 MET cc_start: 0.6631 (mtt) cc_final: 0.5523 (ttm) REVERT: O 328 MET cc_start: 0.6095 (tpt) cc_final: 0.5825 (tpt) REVERT: O 334 TYR cc_start: 0.7382 (m-80) cc_final: 0.6219 (m-80) REVERT: O 350 LEU cc_start: 0.7075 (tt) cc_final: 0.6824 (tt) REVERT: O 360 GLU cc_start: 0.9484 (mt-10) cc_final: 0.9178 (mp0) REVERT: O 367 GLN cc_start: 0.9334 (mt0) cc_final: 0.8953 (mt0) REVERT: O 371 MET cc_start: 0.8764 (mtm) cc_final: 0.8355 (mmm) REVERT: O 416 GLU cc_start: 0.8221 (mm-30) cc_final: 0.7582 (tt0) REVERT: O 420 ASP cc_start: 0.9522 (t0) cc_final: 0.9200 (t0) REVERT: O 447 GLU cc_start: 0.8501 (mt-10) cc_final: 0.8134 (mp0) REVERT: O 469 MET cc_start: 0.9391 (mmp) cc_final: 0.8870 (ttm) REVERT: O 487 MET cc_start: 0.8131 (mpp) cc_final: 0.7921 (mmt) REVERT: O 490 ILE cc_start: 0.9532 (mp) cc_final: 0.9053 (mp) REVERT: O 500 GLN cc_start: 0.9332 (mm-40) cc_final: 0.8873 (mm-40) REVERT: P 20 PHE cc_start: 0.9278 (t80) cc_final: 0.8984 (t80) REVERT: P 47 SER cc_start: 0.7724 (t) cc_final: 0.7256 (m) REVERT: P 80 ARG cc_start: 0.8947 (mmt90) cc_final: 0.8639 (mtp180) REVERT: P 94 GLU cc_start: 0.9670 (mt-10) cc_final: 0.9463 (mt-10) REVERT: P 105 ASP cc_start: 0.8937 (m-30) cc_final: 0.8589 (t70) REVERT: P 123 LYS cc_start: 0.9341 (pttp) cc_final: 0.8942 (ptpt) REVERT: P 126 MET cc_start: 0.8350 (mtm) cc_final: 0.8008 (mtp) REVERT: P 132 ASP cc_start: 0.8792 (t0) cc_final: 0.8312 (m-30) REVERT: P 156 ILE cc_start: 0.8290 (tt) cc_final: 0.8068 (tt) REVERT: P 158 PHE cc_start: 0.9281 (m-80) cc_final: 0.8874 (m-80) REVERT: P 159 HIS cc_start: 0.7100 (t-90) cc_final: 0.6778 (t-90) REVERT: P 174 LEU cc_start: 0.8732 (mt) cc_final: 0.8410 (mt) REVERT: P 181 GLN cc_start: 0.7539 (pt0) cc_final: 0.6613 (pp30) REVERT: P 203 LYS cc_start: 0.8450 (mmtm) cc_final: 0.8185 (mmtt) REVERT: P 212 HIS cc_start: 0.6677 (p-80) cc_final: 0.6298 (p-80) REVERT: P 243 VAL cc_start: 0.7717 (p) cc_final: 0.7390 (t) REVERT: P 255 HIS cc_start: 0.9151 (t70) cc_final: 0.8877 (t70) REVERT: P 263 GLN cc_start: 0.9483 (tt0) cc_final: 0.9194 (tt0) REVERT: P 278 ARG cc_start: 0.6766 (mtm180) cc_final: 0.6344 (mtm180) REVERT: P 330 MET cc_start: 0.6803 (tmm) cc_final: 0.6575 (tmm) REVERT: P 358 ASN cc_start: 0.8696 (m-40) cc_final: 0.7433 (t0) REVERT: P 365 PHE cc_start: 0.9500 (m-80) cc_final: 0.9107 (m-80) REVERT: P 396 ILE cc_start: 0.8269 (tt) cc_final: 0.7811 (tt) REVERT: P 400 GLU cc_start: 0.8825 (mm-30) cc_final: 0.8547 (mm-30) REVERT: P 436 GLU cc_start: 0.8505 (mt-10) cc_final: 0.7910 (tp30) REVERT: P 443 ASN cc_start: 0.9496 (t0) cc_final: 0.9167 (t0) REVERT: P 461 GLU cc_start: 0.8435 (mt-10) cc_final: 0.7926 (mt-10) REVERT: P 469 MET cc_start: 0.9251 (tpt) cc_final: 0.8849 (tpt) REVERT: P 472 MET cc_start: 0.9077 (mtm) cc_final: 0.8692 (ptp) REVERT: P 479 LYS cc_start: 0.8659 (tttt) cc_final: 0.7993 (tttm) REVERT: P 498 ILE cc_start: 0.8401 (mt) cc_final: 0.8103 (mt) REVERT: P 501 GLU cc_start: 0.9488 (mm-30) cc_final: 0.8704 (mm-30) REVERT: P 505 ILE cc_start: 0.7341 (mt) cc_final: 0.5934 (mt) outliers start: 6 outliers final: 3 residues processed: 7028 average time/residue: 1.0791 time to fit residues: 13380.8465 Evaluate side-chains 6125 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 6121 time to evaluate : 10.088 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.50 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 1690 optimal weight: 0.6980 chunk 1780 optimal weight: 1.9990 chunk 1624 optimal weight: 0.7980 chunk 1731 optimal weight: 3.9990 chunk 1779 optimal weight: 0.7980 chunk 1042 optimal weight: 7.9990 chunk 754 optimal weight: 4.9990 chunk 1359 optimal weight: 2.9990 chunk 531 optimal weight: 4.9990 chunk 1564 optimal weight: 7.9990 chunk 1637 optimal weight: 4.9990 overall best weight: 1.4584 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** b 240 ASN ** b 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 303 ASN ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 311 ASN ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** f 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** f 180 HIS f 191 GLN ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 303 ASN ** g 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** g 431 GLN h 78 ASN ** i 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 105 ASN ** j 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 315 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** j 427 GLN ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 381 ASN n 145 HIS n 427 GLN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 367 GLN ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN q 427 GLN ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 90 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** r 180 HIS ** r 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 123 GLN s 171 GLN ** s 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 303 ASN ** t 466 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 505 ASN ** u 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** u 431 GLN ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 356 GLN ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 303 ASN ** y 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 105 ASN y 183 GLN ** y 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN ** y 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN ** z 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** B 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** B 240 ASN B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 240 ASN ** C 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 191 GLN ** D 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 442 ASN ** E 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 326 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** G 239 HIS ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 181 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** I 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** I 411 GLN J 23 GLN ** J 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 81 ASN K 262 ASN ** K 326 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 411 GLN M 159 HIS ** M 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 438 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 262 ASN ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** O 483 HIS Total number of N/Q/H flips: 43 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7237 moved from start: 0.6831 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.004 0.091 153284 Z= 0.252 Angle : 0.707 11.947 207272 Z= 0.382 Chirality : 0.048 0.389 22633 Planarity : 0.005 0.113 27252 Dihedral : 5.522 42.724 21163 Min Nonbonded Distance : 1.993 Molprobity Statistics. All-atom Clashscore : 23.96 Ramachandran Plot: Outliers : 0.11 % Allowed : 8.97 % Favored : 90.92 % Rotamer: Outliers : 0.03 % Allowed : 0.64 % Favored : 99.34 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.27 (0.06), residues: 19365 helix: 0.75 (0.07), residues: 5995 sheet: -1.41 (0.09), residues: 3120 loop : -1.66 (0.06), residues: 10250 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.066 0.003 TRP z 247 HIS 0.012 0.002 HIS F 326 PHE 0.038 0.002 PHE P 147 TYR 0.055 0.002 TYR F 184 ARG 0.015 0.001 ARG J 220 *********************** REFINEMENT MACRO_CYCLE 9 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6979 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 4 poor density : 6975 time to evaluate : 10.143 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.7882 (m-70) cc_final: 0.7165 (m170) REVERT: a 79 ILE cc_start: 0.7987 (mt) cc_final: 0.7714 (mt) REVERT: a 83 GLN cc_start: 0.8635 (tp40) cc_final: 0.8065 (tm-30) REVERT: a 99 VAL cc_start: 0.8779 (t) cc_final: 0.8422 (t) REVERT: a 124 VAL cc_start: 0.8720 (p) cc_final: 0.8229 (m) REVERT: a 147 MET cc_start: 0.8258 (mmm) cc_final: 0.7946 (mmt) REVERT: a 151 ASP cc_start: 0.8917 (t0) cc_final: 0.8680 (t0) REVERT: a 154 PHE cc_start: 0.8886 (t80) cc_final: 0.8526 (t80) REVERT: a 199 ASP cc_start: 0.8782 (t70) cc_final: 0.8390 (t0) REVERT: a 212 ILE cc_start: 0.9734 (mt) cc_final: 0.9502 (mt) REVERT: a 215 GLN cc_start: 0.9430 (mp10) cc_final: 0.9217 (mp-120) REVERT: a 250 MET cc_start: 0.8575 (ptp) cc_final: 0.8347 (ptp) REVERT: a 289 GLU cc_start: 0.9237 (tm-30) cc_final: 0.8865 (tm-30) REVERT: a 294 LEU cc_start: 0.9444 (mt) cc_final: 0.9162 (mt) REVERT: a 301 GLU cc_start: 0.9398 (tt0) cc_final: 0.9130 (tt0) REVERT: a 334 PHE cc_start: 0.9230 (m-80) cc_final: 0.8963 (m-10) REVERT: a 336 ASP cc_start: 0.8224 (t0) cc_final: 0.7718 (t0) REVERT: a 345 TRP cc_start: 0.8993 (p-90) cc_final: 0.8107 (p-90) REVERT: a 350 PHE cc_start: 0.9478 (m-80) cc_final: 0.9125 (m-80) REVERT: a 363 GLU cc_start: 0.9231 (tp30) cc_final: 0.8346 (tp30) REVERT: a 384 ASN cc_start: 0.9304 (m-40) cc_final: 0.8990 (m-40) REVERT: a 404 PHE cc_start: 0.8340 (m-80) cc_final: 0.7537 (m-80) REVERT: a 430 LYS cc_start: 0.9274 (mmpt) cc_final: 0.8949 (mmpt) REVERT: a 432 ASP cc_start: 0.8544 (t70) cc_final: 0.8156 (t70) REVERT: a 442 ASN cc_start: 0.8662 (t0) cc_final: 0.8308 (t0) REVERT: a 471 MET cc_start: 0.8210 (ppp) cc_final: 0.7938 (ppp) REVERT: a 505 ASN cc_start: 0.8536 (m110) cc_final: 0.8097 (m110) REVERT: a 507 LEU cc_start: 0.9407 (tt) cc_final: 0.9207 (tt) REVERT: a 516 VAL cc_start: 0.9568 (t) cc_final: 0.9353 (t) REVERT: b 133 LYS cc_start: 0.8197 (mtpp) cc_final: 0.7633 (tptt) REVERT: b 147 MET cc_start: 0.8028 (mtm) cc_final: 0.7561 (mtm) REVERT: b 153 MET cc_start: 0.8680 (mpp) cc_final: 0.8398 (mpp) REVERT: b 199 ASP cc_start: 0.8890 (t0) cc_final: 0.8638 (t0) REVERT: b 207 LYS cc_start: 0.9028 (mttt) cc_final: 0.8796 (mtmt) REVERT: b 209 ASP cc_start: 0.8826 (m-30) cc_final: 0.8295 (m-30) REVERT: b 216 MET cc_start: 0.9261 (mmm) cc_final: 0.8757 (mmm) REVERT: b 221 LEU cc_start: 0.9490 (mt) cc_final: 0.9246 (mt) REVERT: b 247 TRP cc_start: 0.7699 (m100) cc_final: 0.5959 (m100) REVERT: b 252 PHE cc_start: 0.8748 (p90) cc_final: 0.8293 (p90) REVERT: b 257 GLN cc_start: 0.9056 (pt0) cc_final: 0.7927 (pm20) REVERT: b 299 MET cc_start: 0.9174 (mtp) cc_final: 0.8928 (mtp) REVERT: b 303 ASN cc_start: 0.9433 (m-40) cc_final: 0.9221 (m110) REVERT: b 311 ASN cc_start: 0.9318 (m-40) cc_final: 0.9051 (m-40) REVERT: b 334 PHE cc_start: 0.7753 (m-80) cc_final: 0.7460 (m-80) REVERT: b 348 GLU cc_start: 0.8886 (mp0) cc_final: 0.8529 (pm20) REVERT: b 350 PHE cc_start: 0.9640 (m-10) cc_final: 0.9153 (m-10) REVERT: b 351 LYS cc_start: 0.9601 (mtmm) cc_final: 0.9252 (mtmm) REVERT: b 375 PHE cc_start: 0.9296 (p90) cc_final: 0.9012 (p90) REVERT: b 380 ARG cc_start: 0.8337 (mtt90) cc_final: 0.7863 (mtt90) REVERT: b 390 ASP cc_start: 0.8726 (t70) cc_final: 0.8525 (t70) REVERT: b 404 PHE cc_start: 0.8319 (m-80) cc_final: 0.7790 (m-80) REVERT: b 426 ASP cc_start: 0.8833 (t0) cc_final: 0.8529 (t0) REVERT: b 427 GLN cc_start: 0.9167 (pt0) cc_final: 0.8819 (pt0) REVERT: b 428 TYR cc_start: 0.9384 (m-80) cc_final: 0.8671 (m-80) REVERT: b 442 ASN cc_start: 0.8632 (t0) cc_final: 0.8312 (t0) REVERT: b 483 PRO cc_start: 0.9406 (Cg_exo) cc_final: 0.8453 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8802 (m-80) cc_final: 0.8041 (m-80) REVERT: b 486 GLU cc_start: 0.9134 (pm20) cc_final: 0.8554 (tm-30) REVERT: b 509 LYS cc_start: 0.9023 (mttt) cc_final: 0.8751 (mttm) REVERT: b 510 ASN cc_start: 0.9510 (t0) cc_final: 0.8732 (p0) REVERT: b 512 TYR cc_start: 0.9326 (m-80) cc_final: 0.8786 (m-80) REVERT: b 513 PHE cc_start: 0.9101 (m-80) cc_final: 0.8322 (m-80) REVERT: c 109 PHE cc_start: 0.7500 (m-80) cc_final: 0.7235 (m-10) REVERT: c 117 MET cc_start: 0.9311 (tpp) cc_final: 0.8869 (ttm) REVERT: c 166 LEU cc_start: 0.9173 (mt) cc_final: 0.8921 (mt) REVERT: c 183 GLN cc_start: 0.9141 (tm-30) cc_final: 0.8871 (tm-30) REVERT: c 191 GLN cc_start: 0.8872 (tt0) cc_final: 0.8183 (tp-100) REVERT: c 212 ILE cc_start: 0.9821 (mt) cc_final: 0.9523 (mt) REVERT: c 216 MET cc_start: 0.9509 (mtm) cc_final: 0.9275 (mpp) REVERT: c 228 MET cc_start: 0.9117 (ptm) cc_final: 0.8625 (ppp) REVERT: c 247 TRP cc_start: 0.8007 (m100) cc_final: 0.7623 (m100) REVERT: c 249 GLU cc_start: 0.7784 (pt0) cc_final: 0.7395 (pp20) REVERT: c 289 GLU cc_start: 0.9665 (tp30) cc_final: 0.9342 (tm-30) REVERT: c 293 ILE cc_start: 0.9498 (mt) cc_final: 0.9108 (mt) REVERT: c 333 ASP cc_start: 0.8993 (t0) cc_final: 0.8724 (t0) REVERT: c 336 ASP cc_start: 0.8197 (t0) cc_final: 0.7733 (t0) REVERT: c 348 GLU cc_start: 0.9131 (mt-10) cc_final: 0.8639 (mp0) REVERT: c 351 LYS cc_start: 0.9682 (mttm) cc_final: 0.9328 (mttm) REVERT: c 363 GLU cc_start: 0.8714 (tp30) cc_final: 0.7428 (tp30) REVERT: c 367 GLN cc_start: 0.8372 (mm-40) cc_final: 0.7658 (mm-40) REVERT: c 384 ASN cc_start: 0.9629 (m-40) cc_final: 0.9388 (m-40) REVERT: c 400 LEU cc_start: 0.9597 (mt) cc_final: 0.9261 (mt) REVERT: c 459 LEU cc_start: 0.7754 (mt) cc_final: 0.7357 (tp) REVERT: c 463 ASP cc_start: 0.8814 (t0) cc_final: 0.8478 (t0) REVERT: c 471 MET cc_start: 0.7325 (mmm) cc_final: 0.7067 (mmm) REVERT: c 477 TYR cc_start: 0.8653 (p90) cc_final: 0.8376 (p90) REVERT: d 96 MET cc_start: 0.8610 (tpp) cc_final: 0.7991 (tpp) REVERT: d 105 ASN cc_start: 0.8069 (m-40) cc_final: 0.7386 (m110) REVERT: d 106 LEU cc_start: 0.9223 (mm) cc_final: 0.9009 (mm) REVERT: d 189 TYR cc_start: 0.8715 (m-80) cc_final: 0.7791 (m-80) REVERT: d 190 LEU cc_start: 0.9362 (mt) cc_final: 0.9024 (mt) REVERT: d 211 GLU cc_start: 0.9398 (tt0) cc_final: 0.8786 (tt0) REVERT: d 216 MET cc_start: 0.9064 (mtp) cc_final: 0.8684 (mtt) REVERT: d 250 MET cc_start: 0.9040 (mpp) cc_final: 0.8660 (mpp) REVERT: d 252 PHE cc_start: 0.7048 (p90) cc_final: 0.5972 (p90) REVERT: d 276 GLN cc_start: 0.9489 (mm-40) cc_final: 0.9213 (mt0) REVERT: d 279 ARG cc_start: 0.8250 (ttm-80) cc_final: 0.7930 (tpp80) REVERT: d 284 MET cc_start: 0.8633 (mmm) cc_final: 0.8230 (mmm) REVERT: d 304 ARG cc_start: 0.8911 (tpp-160) cc_final: 0.8704 (tpp-160) REVERT: d 318 LYS cc_start: 0.9497 (tptp) cc_final: 0.9055 (tttm) REVERT: d 322 THR cc_start: 0.8605 (p) cc_final: 0.8145 (p) REVERT: d 328 LYS cc_start: 0.8150 (mmpt) cc_final: 0.7759 (tptm) REVERT: d 332 PHE cc_start: 0.8994 (t80) cc_final: 0.8160 (t80) REVERT: d 333 ASP cc_start: 0.8043 (t0) cc_final: 0.7573 (t0) REVERT: d 334 PHE cc_start: 0.8380 (m-80) cc_final: 0.7576 (m-80) REVERT: d 336 ASP cc_start: 0.8958 (t0) cc_final: 0.8303 (t0) REVERT: d 351 LYS cc_start: 0.9509 (mtmm) cc_final: 0.9225 (mtmm) REVERT: d 360 GLU cc_start: 0.9562 (mm-30) cc_final: 0.8979 (mm-30) REVERT: d 363 GLU cc_start: 0.9292 (tp30) cc_final: 0.8714 (tp30) REVERT: d 384 ASN cc_start: 0.9050 (m-40) cc_final: 0.8816 (m-40) REVERT: d 390 ASP cc_start: 0.9085 (t0) cc_final: 0.8785 (t70) REVERT: d 391 THR cc_start: 0.9329 (p) cc_final: 0.8849 (t) REVERT: d 424 TYR cc_start: 0.8833 (m-80) cc_final: 0.7803 (m-10) REVERT: d 432 ASP cc_start: 0.8177 (p0) cc_final: 0.7681 (p0) REVERT: d 444 MET cc_start: 0.8686 (tpt) cc_final: 0.8258 (tpt) REVERT: d 515 ARG cc_start: 0.8747 (tmm160) cc_final: 0.8233 (tmm-80) REVERT: e 105 ASN cc_start: 0.9088 (t0) cc_final: 0.8580 (m-40) REVERT: e 117 MET cc_start: 0.9465 (mmm) cc_final: 0.9223 (mmm) REVERT: e 123 GLN cc_start: 0.9083 (pt0) cc_final: 0.8785 (pt0) REVERT: e 145 HIS cc_start: 0.8708 (t-90) cc_final: 0.7589 (t-90) REVERT: e 147 MET cc_start: 0.8525 (mmt) cc_final: 0.7848 (mmm) REVERT: e 148 TYR cc_start: 0.8876 (m-80) cc_final: 0.8256 (m-80) REVERT: e 153 MET cc_start: 0.7010 (mmm) cc_final: 0.6775 (mmm) REVERT: e 207 LYS cc_start: 0.9271 (mptt) cc_final: 0.8971 (mttm) REVERT: e 213 LYS cc_start: 0.9118 (pttt) cc_final: 0.8881 (pttt) REVERT: e 228 MET cc_start: 0.8651 (ttp) cc_final: 0.7766 (ttp) REVERT: e 257 GLN cc_start: 0.8003 (pt0) cc_final: 0.7414 (pt0) REVERT: e 260 GLU cc_start: 0.8847 (pp20) cc_final: 0.8325 (pp20) REVERT: e 266 LEU cc_start: 0.9710 (mt) cc_final: 0.9311 (mt) REVERT: e 303 ASN cc_start: 0.9262 (m-40) cc_final: 0.8867 (m-40) REVERT: e 309 TRP cc_start: 0.9131 (m100) cc_final: 0.8889 (m100) REVERT: e 315 GLN cc_start: 0.8189 (mm-40) cc_final: 0.7702 (mm110) REVERT: e 318 LYS cc_start: 0.9081 (mtpp) cc_final: 0.8857 (mmmt) REVERT: e 327 SER cc_start: 0.8344 (m) cc_final: 0.7904 (m) REVERT: e 344 ARG cc_start: 0.7893 (mmt180) cc_final: 0.7494 (mmt90) REVERT: e 359 LYS cc_start: 0.9408 (mtpt) cc_final: 0.9064 (mtpt) REVERT: e 362 VAL cc_start: 0.9286 (t) cc_final: 0.8954 (t) REVERT: e 363 GLU cc_start: 0.9101 (tp30) cc_final: 0.8786 (tp30) REVERT: e 390 ASP cc_start: 0.7966 (t70) cc_final: 0.7620 (t70) REVERT: e 391 THR cc_start: 0.9105 (p) cc_final: 0.8898 (p) REVERT: e 400 LEU cc_start: 0.9335 (mt) cc_final: 0.9054 (mt) REVERT: e 405 SER cc_start: 0.9093 (m) cc_final: 0.8575 (p) REVERT: e 442 ASN cc_start: 0.9311 (t0) cc_final: 0.9074 (t0) REVERT: e 452 PRO cc_start: 0.9306 (Cg_endo) cc_final: 0.8933 (Cg_exo) REVERT: e 453 TYR cc_start: 0.8303 (t80) cc_final: 0.7887 (t80) REVERT: e 463 ASP cc_start: 0.9253 (t0) cc_final: 0.8928 (t0) REVERT: e 471 MET cc_start: 0.7085 (tmm) cc_final: 0.6648 (tmm) REVERT: e 474 LYS cc_start: 0.9322 (mtpp) cc_final: 0.9076 (mtpt) REVERT: e 481 ILE cc_start: 0.9239 (pt) cc_final: 0.8889 (pt) REVERT: e 482 ASN cc_start: 0.8886 (t0) cc_final: 0.8085 (p0) REVERT: e 500 MET cc_start: 0.8706 (mtm) cc_final: 0.7988 (mpp) REVERT: e 513 PHE cc_start: 0.9312 (m-80) cc_final: 0.8583 (m-80) REVERT: f 96 MET cc_start: 0.8418 (mtm) cc_final: 0.7792 (mtm) REVERT: f 98 MET cc_start: 0.5677 (ptt) cc_final: 0.4852 (ptt) REVERT: f 134 ASP cc_start: 0.9208 (t70) cc_final: 0.8967 (t0) REVERT: f 145 HIS cc_start: 0.8829 (t-90) cc_final: 0.7926 (t-90) REVERT: f 147 MET cc_start: 0.8653 (mmm) cc_final: 0.7720 (mmm) REVERT: f 148 TYR cc_start: 0.9182 (m-80) cc_final: 0.8768 (m-80) REVERT: f 166 LEU cc_start: 0.9564 (mt) cc_final: 0.9306 (mt) REVERT: f 180 HIS cc_start: 0.8457 (t-90) cc_final: 0.8126 (t-90) REVERT: f 198 ILE cc_start: 0.9109 (mt) cc_final: 0.8848 (mt) REVERT: f 199 ASP cc_start: 0.8865 (t0) cc_final: 0.8487 (t0) REVERT: f 203 THR cc_start: 0.8610 (m) cc_final: 0.8397 (p) REVERT: f 211 GLU cc_start: 0.9231 (tt0) cc_final: 0.8877 (tt0) REVERT: f 226 GLU cc_start: 0.8740 (tm-30) cc_final: 0.8494 (tm-30) REVERT: f 245 ASN cc_start: 0.8484 (m-40) cc_final: 0.8099 (m110) REVERT: f 247 TRP cc_start: 0.8724 (m-10) cc_final: 0.8336 (m100) REVERT: f 250 MET cc_start: 0.8877 (mtp) cc_final: 0.8580 (mtp) REVERT: f 267 LYS cc_start: 0.9083 (pttt) cc_final: 0.8792 (pttm) REVERT: f 277 ASP cc_start: 0.9519 (m-30) cc_final: 0.9216 (m-30) REVERT: f 299 MET cc_start: 0.8925 (mmm) cc_final: 0.8570 (mmm) REVERT: f 303 ASN cc_start: 0.8955 (t0) cc_final: 0.8499 (t0) REVERT: f 312 TYR cc_start: 0.9062 (t80) cc_final: 0.8798 (t80) REVERT: f 334 PHE cc_start: 0.9420 (m-80) cc_final: 0.8908 (m-80) REVERT: f 338 ILE cc_start: 0.9678 (mm) cc_final: 0.9273 (tp) REVERT: f 350 PHE cc_start: 0.9389 (m-80) cc_final: 0.8956 (m-80) REVERT: f 375 PHE cc_start: 0.9487 (p90) cc_final: 0.9099 (p90) REVERT: f 386 LEU cc_start: 0.9788 (mt) cc_final: 0.9579 (mt) REVERT: f 390 ASP cc_start: 0.9092 (t0) cc_final: 0.8837 (t0) REVERT: f 393 ILE cc_start: 0.9270 (pt) cc_final: 0.8879 (tp) REVERT: f 417 LEU cc_start: 0.9394 (tp) cc_final: 0.9189 (tp) REVERT: f 426 ASP cc_start: 0.9010 (t0) cc_final: 0.8624 (t0) REVERT: f 428 TYR cc_start: 0.9502 (m-80) cc_final: 0.8816 (m-80) REVERT: f 442 ASN cc_start: 0.8135 (p0) cc_final: 0.7677 (p0) REVERT: f 450 TYR cc_start: 0.8686 (t80) cc_final: 0.8443 (t80) REVERT: f 462 SER cc_start: 0.9124 (p) cc_final: 0.8782 (t) REVERT: f 463 ASP cc_start: 0.8852 (t0) cc_final: 0.8344 (t70) REVERT: f 468 GLN cc_start: 0.8771 (mm-40) cc_final: 0.8570 (mm110) REVERT: f 477 TYR cc_start: 0.8833 (p90) cc_final: 0.8428 (p90) REVERT: f 510 ASN cc_start: 0.8971 (t0) cc_final: 0.8072 (t0) REVERT: f 513 PHE cc_start: 0.9085 (m-80) cc_final: 0.8598 (m-80) REVERT: g 117 MET cc_start: 0.8500 (mtp) cc_final: 0.7997 (mpp) REVERT: g 131 TYR cc_start: 0.8664 (p90) cc_final: 0.8399 (p90) REVERT: g 134 ASP cc_start: 0.8630 (t0) cc_final: 0.8333 (t0) REVERT: g 145 HIS cc_start: 0.9317 (t-90) cc_final: 0.8501 (t-90) REVERT: g 147 MET cc_start: 0.8851 (tpt) cc_final: 0.7990 (tpt) REVERT: g 148 TYR cc_start: 0.9310 (m-80) cc_final: 0.7813 (m-80) REVERT: g 176 ASP cc_start: 0.7933 (t0) cc_final: 0.7479 (p0) REVERT: g 180 HIS cc_start: 0.8045 (t70) cc_final: 0.7370 (t-90) REVERT: g 199 ASP cc_start: 0.8088 (t0) cc_final: 0.7853 (t0) REVERT: g 212 ILE cc_start: 0.9747 (mt) cc_final: 0.9331 (pt) REVERT: g 216 MET cc_start: 0.9716 (mtm) cc_final: 0.9165 (mtm) REVERT: g 245 ASN cc_start: 0.8511 (t0) cc_final: 0.8214 (t0) REVERT: g 250 MET cc_start: 0.8870 (mtp) cc_final: 0.8525 (mtm) REVERT: g 262 LYS cc_start: 0.7630 (mmpt) cc_final: 0.7267 (tppt) REVERT: g 273 GLU cc_start: 0.9092 (mp0) cc_final: 0.7627 (tp30) REVERT: g 299 MET cc_start: 0.8896 (ttt) cc_final: 0.8585 (ttt) REVERT: g 304 ARG cc_start: 0.9217 (ttt90) cc_final: 0.8841 (tpp80) REVERT: g 311 ASN cc_start: 0.9862 (m-40) cc_final: 0.9564 (t0) REVERT: g 350 PHE cc_start: 0.9463 (m-10) cc_final: 0.9095 (m-10) REVERT: g 351 LYS cc_start: 0.9305 (mmtt) cc_final: 0.9102 (mmtt) REVERT: g 363 GLU cc_start: 0.9511 (tp30) cc_final: 0.8851 (tp30) REVERT: g 366 ARG cc_start: 0.8737 (ttt-90) cc_final: 0.7510 (tmt-80) REVERT: g 404 PHE cc_start: 0.9368 (m-80) cc_final: 0.8753 (m-80) REVERT: g 442 ASN cc_start: 0.8897 (t0) cc_final: 0.8592 (t0) REVERT: g 476 ARG cc_start: 0.8697 (mtp180) cc_final: 0.7471 (mtm180) REVERT: g 481 ILE cc_start: 0.9399 (mp) cc_final: 0.9192 (mp) REVERT: g 482 ASN cc_start: 0.8873 (t0) cc_final: 0.7532 (m110) REVERT: g 500 MET cc_start: 0.8942 (ttm) cc_final: 0.8668 (mmt) REVERT: g 513 PHE cc_start: 0.9499 (m-80) cc_final: 0.8988 (m-80) REVERT: h 72 HIS cc_start: 0.7502 (m90) cc_final: 0.7187 (m170) REVERT: h 78 ASN cc_start: 0.9068 (m110) cc_final: 0.8862 (m-40) REVERT: h 111 ILE cc_start: 0.8956 (pt) cc_final: 0.8727 (pt) REVERT: h 112 CYS cc_start: 0.9356 (m) cc_final: 0.8886 (t) REVERT: h 117 MET cc_start: 0.8742 (mtm) cc_final: 0.8112 (mtm) REVERT: h 147 MET cc_start: 0.7947 (mtt) cc_final: 0.7563 (mtt) REVERT: h 151 ASP cc_start: 0.8352 (t0) cc_final: 0.7496 (t70) REVERT: h 153 MET cc_start: 0.9153 (mpp) cc_final: 0.8652 (mpp) REVERT: h 166 LEU cc_start: 0.9431 (mt) cc_final: 0.8899 (mt) REVERT: h 180 HIS cc_start: 0.8687 (t-90) cc_final: 0.8402 (t-90) REVERT: h 194 VAL cc_start: 0.9045 (t) cc_final: 0.8734 (p) REVERT: h 198 ILE cc_start: 0.8904 (tt) cc_final: 0.8248 (tt) REVERT: h 211 GLU cc_start: 0.9189 (tp30) cc_final: 0.8614 (tp30) REVERT: h 212 ILE cc_start: 0.9657 (mt) cc_final: 0.9444 (mt) REVERT: h 215 GLN cc_start: 0.9599 (mt0) cc_final: 0.9103 (mm-40) REVERT: h 247 TRP cc_start: 0.8832 (m-10) cc_final: 0.7558 (m100) REVERT: h 250 MET cc_start: 0.8964 (mtm) cc_final: 0.8072 (ptm) REVERT: h 257 GLN cc_start: 0.8987 (pt0) cc_final: 0.8706 (pt0) REVERT: h 258 VAL cc_start: 0.9700 (p) cc_final: 0.9371 (p) REVERT: h 334 PHE cc_start: 0.8063 (m-80) cc_final: 0.7803 (m-80) REVERT: h 345 TRP cc_start: 0.8636 (p-90) cc_final: 0.7441 (p-90) REVERT: h 350 PHE cc_start: 0.9336 (m-80) cc_final: 0.8927 (m-80) REVERT: h 357 ILE cc_start: 0.9684 (mt) cc_final: 0.9374 (mt) REVERT: h 360 GLU cc_start: 0.9638 (mt-10) cc_final: 0.9238 (mt-10) REVERT: h 363 GLU cc_start: 0.9490 (tp30) cc_final: 0.8982 (tp30) REVERT: h 404 PHE cc_start: 0.7363 (m-80) cc_final: 0.6792 (m-80) REVERT: h 412 VAL cc_start: 0.9494 (p) cc_final: 0.9227 (t) REVERT: h 426 ASP cc_start: 0.9130 (t0) cc_final: 0.8847 (t0) REVERT: h 432 ASP cc_start: 0.8000 (t0) cc_final: 0.7664 (t70) REVERT: h 442 ASN cc_start: 0.8589 (t0) cc_final: 0.8115 (t0) REVERT: h 457 THR cc_start: 0.9089 (m) cc_final: 0.8845 (p) REVERT: h 482 ASN cc_start: 0.8989 (t0) cc_final: 0.8553 (t0) REVERT: h 484 PHE cc_start: 0.9225 (m-10) cc_final: 0.8654 (m-10) REVERT: h 504 LEU cc_start: 0.9078 (mt) cc_final: 0.8706 (tt) REVERT: i 90 GLN cc_start: 0.8304 (mm-40) cc_final: 0.7862 (mp10) REVERT: i 103 ILE cc_start: 0.8580 (mt) cc_final: 0.7967 (mt) REVERT: i 107 ILE cc_start: 0.8868 (mp) cc_final: 0.8624 (mp) REVERT: i 110 ASP cc_start: 0.8586 (m-30) cc_final: 0.8241 (m-30) REVERT: i 142 GLU cc_start: 0.9151 (pt0) cc_final: 0.7734 (tm-30) REVERT: i 145 HIS cc_start: 0.8544 (t-90) cc_final: 0.7432 (t-90) REVERT: i 147 MET cc_start: 0.8466 (mmm) cc_final: 0.7931 (mmm) REVERT: i 148 TYR cc_start: 0.8789 (m-80) cc_final: 0.8399 (m-80) REVERT: i 151 ASP cc_start: 0.8761 (t0) cc_final: 0.8480 (t0) REVERT: i 180 HIS cc_start: 0.9017 (t70) cc_final: 0.8731 (t70) REVERT: i 191 GLN cc_start: 0.9604 (tt0) cc_final: 0.9345 (tp-100) REVERT: i 198 ILE cc_start: 0.9428 (mp) cc_final: 0.9200 (mp) REVERT: i 224 ILE cc_start: 0.8678 (tp) cc_final: 0.8412 (tp) REVERT: i 250 MET cc_start: 0.7758 (mtm) cc_final: 0.6425 (ptp) REVERT: i 257 GLN cc_start: 0.8666 (pt0) cc_final: 0.8422 (pt0) REVERT: i 289 GLU cc_start: 0.9209 (mm-30) cc_final: 0.8961 (mm-30) REVERT: i 300 LEU cc_start: 0.9074 (mt) cc_final: 0.8849 (mt) REVERT: i 301 GLU cc_start: 0.9092 (mt-10) cc_final: 0.8691 (mt-10) REVERT: i 332 PHE cc_start: 0.8815 (t80) cc_final: 0.8411 (t80) REVERT: i 336 ASP cc_start: 0.7702 (t0) cc_final: 0.7376 (t0) REVERT: i 348 GLU cc_start: 0.8895 (mt-10) cc_final: 0.8024 (mp0) REVERT: i 353 LEU cc_start: 0.9621 (tp) cc_final: 0.9348 (tp) REVERT: i 356 GLN cc_start: 0.9011 (mp10) cc_final: 0.8681 (mp10) REVERT: i 359 LYS cc_start: 0.9725 (ptmt) cc_final: 0.9209 (pptt) REVERT: i 390 ASP cc_start: 0.9054 (t0) cc_final: 0.8678 (t70) REVERT: i 420 LYS cc_start: 0.8612 (tmtt) cc_final: 0.8380 (tptp) REVERT: i 426 ASP cc_start: 0.9023 (t0) cc_final: 0.8600 (t0) REVERT: i 444 MET cc_start: 0.8861 (mmm) cc_final: 0.8504 (tpp) REVERT: i 463 ASP cc_start: 0.9128 (t0) cc_final: 0.8878 (t0) REVERT: i 513 PHE cc_start: 0.8996 (m-10) cc_final: 0.8512 (m-10) REVERT: i 514 ARG cc_start: 0.7298 (tpp80) cc_final: 0.6758 (tpp80) REVERT: i 515 ARG cc_start: 0.7366 (tmt170) cc_final: 0.7143 (tmt170) REVERT: j 68 ILE cc_start: 0.9418 (mp) cc_final: 0.8865 (mp) REVERT: j 105 ASN cc_start: 0.8804 (m110) cc_final: 0.8402 (m-40) REVERT: j 109 PHE cc_start: 0.8559 (m-80) cc_final: 0.8288 (m-80) REVERT: j 144 PHE cc_start: 0.8906 (m-80) cc_final: 0.8019 (m-80) REVERT: j 147 MET cc_start: 0.8639 (mtt) cc_final: 0.7724 (mmm) REVERT: j 154 PHE cc_start: 0.8858 (t80) cc_final: 0.8573 (t80) REVERT: j 182 PHE cc_start: 0.9382 (m-80) cc_final: 0.8273 (m-80) REVERT: j 204 ASP cc_start: 0.8953 (t70) cc_final: 0.8710 (t70) REVERT: j 209 ASP cc_start: 0.9659 (m-30) cc_final: 0.9160 (m-30) REVERT: j 211 GLU cc_start: 0.9484 (tp30) cc_final: 0.9144 (tp30) REVERT: j 215 GLN cc_start: 0.9222 (mm110) cc_final: 0.8841 (mm110) REVERT: j 216 MET cc_start: 0.9022 (mmm) cc_final: 0.8742 (mmm) REVERT: j 228 MET cc_start: 0.8049 (ppp) cc_final: 0.7737 (ppp) REVERT: j 247 TRP cc_start: 0.8334 (m100) cc_final: 0.7887 (m100) REVERT: j 250 MET cc_start: 0.8334 (mtp) cc_final: 0.7039 (ptt) REVERT: j 267 LYS cc_start: 0.9158 (pptt) cc_final: 0.8644 (pptt) REVERT: j 305 GLU cc_start: 0.9390 (tt0) cc_final: 0.8892 (tt0) REVERT: j 309 TRP cc_start: 0.9356 (m100) cc_final: 0.8974 (m100) REVERT: j 318 LYS cc_start: 0.9006 (ttpt) cc_final: 0.8312 (ptmm) REVERT: j 395 TYR cc_start: 0.7387 (t80) cc_final: 0.7026 (t80) REVERT: j 404 PHE cc_start: 0.8130 (m-80) cc_final: 0.7155 (m-80) REVERT: j 417 LEU cc_start: 0.9188 (tp) cc_final: 0.8938 (tp) REVERT: j 420 LYS cc_start: 0.8763 (tptp) cc_final: 0.8309 (tptp) REVERT: j 424 TYR cc_start: 0.8784 (m-80) cc_final: 0.8549 (m-80) REVERT: j 486 GLU cc_start: 0.8220 (tt0) cc_final: 0.7823 (tt0) REVERT: k 105 ASN cc_start: 0.8489 (m110) cc_final: 0.8072 (m110) REVERT: k 110 ASP cc_start: 0.8691 (t0) cc_final: 0.8198 (t0) REVERT: k 115 GLN cc_start: 0.9330 (tp40) cc_final: 0.9105 (tm-30) REVERT: k 118 ASN cc_start: 0.9354 (p0) cc_final: 0.8866 (p0) REVERT: k 124 VAL cc_start: 0.9607 (p) cc_final: 0.9360 (p) REVERT: k 125 PHE cc_start: 0.8456 (m-80) cc_final: 0.8094 (m-80) REVERT: k 182 PHE cc_start: 0.8778 (m-80) cc_final: 0.8576 (m-80) REVERT: k 189 TYR cc_start: 0.8504 (m-80) cc_final: 0.7433 (m-80) REVERT: k 199 ASP cc_start: 0.7225 (t0) cc_final: 0.6654 (t0) REVERT: k 212 ILE cc_start: 0.9810 (mt) cc_final: 0.9552 (mt) REVERT: k 247 TRP cc_start: 0.8780 (m-90) cc_final: 0.7918 (m-90) REVERT: k 262 LYS cc_start: 0.8506 (mttt) cc_final: 0.7596 (mtmt) REVERT: k 265 GLN cc_start: 0.9084 (pt0) cc_final: 0.8688 (pt0) REVERT: k 274 LEU cc_start: 0.9574 (tp) cc_final: 0.9329 (tp) REVERT: k 279 ARG cc_start: 0.9084 (tpt170) cc_final: 0.8508 (mtp85) REVERT: k 293 ILE cc_start: 0.9190 (mp) cc_final: 0.8852 (mp) REVERT: k 297 GLU cc_start: 0.9263 (mm-30) cc_final: 0.8462 (mm-30) REVERT: k 311 ASN cc_start: 0.9653 (m110) cc_final: 0.9251 (m-40) REVERT: k 312 TYR cc_start: 0.8975 (t80) cc_final: 0.8717 (t80) REVERT: k 336 ASP cc_start: 0.8704 (t0) cc_final: 0.8436 (t0) REVERT: k 351 LYS cc_start: 0.9539 (mttm) cc_final: 0.8880 (mttm) REVERT: k 354 LEU cc_start: 0.9531 (mt) cc_final: 0.9318 (mt) REVERT: k 359 LYS cc_start: 0.9607 (tttt) cc_final: 0.9354 (tttt) REVERT: k 384 ASN cc_start: 0.9353 (m-40) cc_final: 0.9118 (m-40) REVERT: k 390 ASP cc_start: 0.9343 (t0) cc_final: 0.8895 (t70) REVERT: k 391 THR cc_start: 0.9388 (p) cc_final: 0.9116 (p) REVERT: k 404 PHE cc_start: 0.9011 (m-80) cc_final: 0.8729 (m-80) REVERT: k 431 GLN cc_start: 0.9346 (pt0) cc_final: 0.9134 (pm20) REVERT: k 433 TYR cc_start: 0.8902 (p90) cc_final: 0.8311 (p90) REVERT: k 442 ASN cc_start: 0.8647 (t0) cc_final: 0.8107 (t0) REVERT: k 443 GLU cc_start: 0.9191 (tp30) cc_final: 0.8986 (tp30) REVERT: k 444 MET cc_start: 0.8658 (mtp) cc_final: 0.8112 (mtp) REVERT: k 449 TYR cc_start: 0.9143 (m-80) cc_final: 0.7877 (m-80) REVERT: k 471 MET cc_start: 0.7235 (tmm) cc_final: 0.6791 (tmm) REVERT: k 473 PHE cc_start: 0.8364 (m-80) cc_final: 0.7365 (m-80) REVERT: k 481 ILE cc_start: 0.8929 (mp) cc_final: 0.8588 (mp) REVERT: k 482 ASN cc_start: 0.9377 (t0) cc_final: 0.8870 (t0) REVERT: k 507 LEU cc_start: 0.7963 (tt) cc_final: 0.7676 (tt) REVERT: k 513 PHE cc_start: 0.9044 (m-80) cc_final: 0.8590 (m-80) REVERT: l 72 HIS cc_start: 0.8078 (m-70) cc_final: 0.7537 (m90) REVERT: l 98 MET cc_start: 0.8328 (ppp) cc_final: 0.7964 (tmm) REVERT: l 144 PHE cc_start: 0.9193 (m-80) cc_final: 0.7571 (m-80) REVERT: l 145 HIS cc_start: 0.9299 (t-170) cc_final: 0.7392 (t-170) REVERT: l 147 MET cc_start: 0.8715 (mmp) cc_final: 0.7450 (mmp) REVERT: l 148 TYR cc_start: 0.8632 (m-10) cc_final: 0.7748 (m-10) REVERT: l 151 ASP cc_start: 0.9159 (t0) cc_final: 0.8804 (t0) REVERT: l 171 GLN cc_start: 0.9361 (pm20) cc_final: 0.9107 (pm20) REVERT: l 172 THR cc_start: 0.9022 (p) cc_final: 0.8746 (p) REVERT: l 191 GLN cc_start: 0.8200 (tt0) cc_final: 0.7976 (tm-30) REVERT: l 198 ILE cc_start: 0.9500 (tp) cc_final: 0.9216 (tp) REVERT: l 199 ASP cc_start: 0.8969 (t0) cc_final: 0.8096 (t0) REVERT: l 211 GLU cc_start: 0.9110 (tp30) cc_final: 0.8878 (tp30) REVERT: l 213 LYS cc_start: 0.9497 (mttt) cc_final: 0.8961 (mttt) REVERT: l 236 GLN cc_start: 0.8679 (mm-40) cc_final: 0.8396 (mm-40) REVERT: l 262 LYS cc_start: 0.8259 (mttp) cc_final: 0.7914 (mmmt) REVERT: l 276 GLN cc_start: 0.9182 (mp10) cc_final: 0.8943 (mp10) REVERT: l 297 GLU cc_start: 0.9568 (tp30) cc_final: 0.8625 (tp30) REVERT: l 309 TRP cc_start: 0.8998 (m100) cc_final: 0.7905 (m100) REVERT: l 334 PHE cc_start: 0.9606 (m-80) cc_final: 0.9047 (m-80) REVERT: l 350 PHE cc_start: 0.9568 (m-80) cc_final: 0.9145 (m-80) REVERT: l 363 GLU cc_start: 0.9286 (tp30) cc_final: 0.8746 (tp30) REVERT: l 366 ARG cc_start: 0.9303 (ttt-90) cc_final: 0.8933 (ttt90) REVERT: l 381 ASN cc_start: 0.9396 (m-40) cc_final: 0.8986 (p0) REVERT: l 386 LEU cc_start: 0.9594 (mt) cc_final: 0.9298 (mt) REVERT: l 404 PHE cc_start: 0.9117 (m-80) cc_final: 0.8740 (m-80) REVERT: l 420 LYS cc_start: 0.9316 (tptp) cc_final: 0.8659 (mmtt) REVERT: l 448 ILE cc_start: 0.9645 (mt) cc_final: 0.9367 (mt) REVERT: l 468 GLN cc_start: 0.8586 (mm-40) cc_final: 0.8092 (mm-40) REVERT: l 481 ILE cc_start: 0.9081 (pt) cc_final: 0.8246 (pt) REVERT: l 510 ASN cc_start: 0.8961 (t0) cc_final: 0.8402 (t0) REVERT: l 512 TYR cc_start: 0.9231 (m-80) cc_final: 0.8631 (m-10) REVERT: l 513 PHE cc_start: 0.9583 (m-80) cc_final: 0.8780 (m-80) REVERT: l 514 ARG cc_start: 0.9279 (tpp80) cc_final: 0.8855 (tpp80) REVERT: m 72 HIS cc_start: 0.5409 (m170) cc_final: 0.4539 (m170) REVERT: m 98 MET cc_start: 0.4461 (ttp) cc_final: 0.3898 (ttp) REVERT: m 105 ASN cc_start: 0.8439 (t0) cc_final: 0.7919 (t0) REVERT: m 110 ASP cc_start: 0.8338 (m-30) cc_final: 0.7914 (m-30) REVERT: m 131 TYR cc_start: 0.9238 (p90) cc_final: 0.8199 (p90) REVERT: m 176 ASP cc_start: 0.9022 (t0) cc_final: 0.8661 (t0) REVERT: m 216 MET cc_start: 0.9259 (mtp) cc_final: 0.8971 (mtp) REVERT: m 228 MET cc_start: 0.7746 (mpp) cc_final: 0.7249 (mpp) REVERT: m 276 GLN cc_start: 0.7902 (pp30) cc_final: 0.7621 (pp30) REVERT: m 309 TRP cc_start: 0.9266 (m100) cc_final: 0.8747 (m100) REVERT: m 332 PHE cc_start: 0.9043 (t80) cc_final: 0.8498 (t80) REVERT: m 339 ASP cc_start: 0.9125 (m-30) cc_final: 0.8922 (m-30) REVERT: m 390 ASP cc_start: 0.8870 (t0) cc_final: 0.8510 (t70) REVERT: m 400 LEU cc_start: 0.9238 (mt) cc_final: 0.8778 (mt) REVERT: m 413 PHE cc_start: 0.8761 (t80) cc_final: 0.8289 (t80) REVERT: m 442 ASN cc_start: 0.8419 (p0) cc_final: 0.8170 (p0) REVERT: m 463 ASP cc_start: 0.9250 (t0) cc_final: 0.9031 (t0) REVERT: m 468 GLN cc_start: 0.8994 (mm-40) cc_final: 0.8703 (mm-40) REVERT: m 473 PHE cc_start: 0.8862 (m-80) cc_final: 0.8065 (m-80) REVERT: m 500 MET cc_start: 0.9058 (mtm) cc_final: 0.8716 (mpp) REVERT: m 509 LYS cc_start: 0.8784 (mmtp) cc_final: 0.8561 (mmtp) REVERT: n 154 PHE cc_start: 0.9161 (t80) cc_final: 0.8642 (t80) REVERT: n 166 LEU cc_start: 0.9124 (mt) cc_final: 0.8757 (mt) REVERT: n 172 THR cc_start: 0.9440 (p) cc_final: 0.8200 (t) REVERT: n 191 GLN cc_start: 0.8794 (tt0) cc_final: 0.8196 (tp-100) REVERT: n 228 MET cc_start: 0.7544 (ptm) cc_final: 0.7095 (ptm) REVERT: n 253 ARG cc_start: 0.8227 (ttt-90) cc_final: 0.7698 (ttt-90) REVERT: n 319 SER cc_start: 0.9792 (t) cc_final: 0.9589 (m) REVERT: n 333 ASP cc_start: 0.8280 (t0) cc_final: 0.7485 (t0) REVERT: n 336 ASP cc_start: 0.8934 (t0) cc_final: 0.8405 (t0) REVERT: n 353 LEU cc_start: 0.9648 (tp) cc_final: 0.9428 (tp) REVERT: n 359 LYS cc_start: 0.9772 (tttp) cc_final: 0.9502 (tttp) REVERT: n 360 GLU cc_start: 0.9531 (mm-30) cc_final: 0.8872 (mm-30) REVERT: n 384 ASN cc_start: 0.9373 (m-40) cc_final: 0.9102 (m-40) REVERT: n 398 GLN cc_start: 0.9513 (tm-30) cc_final: 0.8959 (tm-30) REVERT: n 417 LEU cc_start: 0.9505 (tp) cc_final: 0.9273 (tp) REVERT: n 426 ASP cc_start: 0.9193 (t0) cc_final: 0.8737 (t0) REVERT: n 439 LYS cc_start: 0.9351 (ptpt) cc_final: 0.8733 (mtpt) REVERT: n 442 ASN cc_start: 0.9262 (t0) cc_final: 0.9009 (t0) REVERT: n 443 GLU cc_start: 0.8891 (pp20) cc_final: 0.8262 (tm-30) REVERT: n 450 TYR cc_start: 0.9230 (t80) cc_final: 0.8978 (t80) REVERT: n 453 TYR cc_start: 0.7880 (t80) cc_final: 0.7241 (t80) REVERT: n 467 PHE cc_start: 0.6689 (m-80) cc_final: 0.6461 (m-80) REVERT: n 496 ILE cc_start: 0.8790 (tp) cc_final: 0.8473 (mm) REVERT: n 513 PHE cc_start: 0.9436 (m-80) cc_final: 0.9059 (m-80) REVERT: o 98 MET cc_start: 0.8069 (ttp) cc_final: 0.7246 (ttp) REVERT: o 141 LYS cc_start: 0.9530 (mmmt) cc_final: 0.9249 (mmtp) REVERT: o 153 MET cc_start: 0.7367 (mmp) cc_final: 0.7071 (mmm) REVERT: o 198 ILE cc_start: 0.9495 (tp) cc_final: 0.9227 (mt) REVERT: o 199 ASP cc_start: 0.8840 (m-30) cc_final: 0.8575 (t0) REVERT: o 211 GLU cc_start: 0.9552 (tp30) cc_final: 0.9334 (tt0) REVERT: o 212 ILE cc_start: 0.9588 (mt) cc_final: 0.9284 (mt) REVERT: o 213 LYS cc_start: 0.9116 (ptmt) cc_final: 0.8796 (ptmt) REVERT: o 250 MET cc_start: 0.7576 (mpp) cc_final: 0.6783 (mpp) REVERT: o 259 ILE cc_start: 0.6696 (tp) cc_final: 0.6494 (tp) REVERT: o 260 GLU cc_start: 0.5740 (tp30) cc_final: 0.5284 (pt0) REVERT: o 284 MET cc_start: 0.4586 (mtm) cc_final: 0.3985 (pmm) REVERT: o 309 TRP cc_start: 0.8717 (m100) cc_final: 0.8186 (m100) REVERT: o 311 ASN cc_start: 0.9583 (m110) cc_final: 0.9310 (m-40) REVERT: o 334 PHE cc_start: 0.9263 (m-80) cc_final: 0.8857 (m-80) REVERT: o 350 PHE cc_start: 0.7834 (p90) cc_final: 0.7429 (p90) REVERT: o 354 LEU cc_start: 0.9278 (tp) cc_final: 0.9000 (tp) REVERT: o 372 GLU cc_start: 0.9125 (mp0) cc_final: 0.8884 (mp0) REVERT: o 375 PHE cc_start: 0.8128 (p90) cc_final: 0.7888 (p90) REVERT: o 404 PHE cc_start: 0.7833 (m-80) cc_final: 0.7408 (m-80) REVERT: o 426 ASP cc_start: 0.9384 (t0) cc_final: 0.9110 (t0) REVERT: o 453 TYR cc_start: 0.8780 (t80) cc_final: 0.8402 (t80) REVERT: o 473 PHE cc_start: 0.8704 (p90) cc_final: 0.7859 (p90) REVERT: o 479 ILE cc_start: 0.8623 (pt) cc_final: 0.8403 (pt) REVERT: o 500 MET cc_start: 0.9250 (mmp) cc_final: 0.8548 (mmp) REVERT: o 510 ASN cc_start: 0.9148 (t0) cc_final: 0.7835 (t0) REVERT: o 513 PHE cc_start: 0.9475 (m-80) cc_final: 0.8907 (m-80) REVERT: p 78 ASN cc_start: 0.8711 (m-40) cc_final: 0.8072 (m-40) REVERT: p 96 MET cc_start: 0.8631 (mtm) cc_final: 0.8011 (mtm) REVERT: p 109 PHE cc_start: 0.8070 (m-80) cc_final: 0.7801 (m-80) REVERT: p 151 ASP cc_start: 0.7928 (t0) cc_final: 0.7546 (t0) REVERT: p 153 MET cc_start: 0.9379 (mtp) cc_final: 0.9150 (mtp) REVERT: p 157 GLN cc_start: 0.9008 (tp40) cc_final: 0.8585 (tp-100) REVERT: p 161 LYS cc_start: 0.9336 (pttt) cc_final: 0.9007 (pttp) REVERT: p 176 ASP cc_start: 0.8958 (t70) cc_final: 0.8708 (t0) REVERT: p 264 ARG cc_start: 0.7131 (mtp180) cc_final: 0.6783 (mtp180) REVERT: p 270 TYR cc_start: 0.8313 (p90) cc_final: 0.7916 (p90) REVERT: p 276 GLN cc_start: 0.9371 (mt0) cc_final: 0.8938 (mt0) REVERT: p 293 ILE cc_start: 0.9554 (mt) cc_final: 0.9265 (mt) REVERT: p 304 ARG cc_start: 0.9111 (mmm160) cc_final: 0.8694 (mmm160) REVERT: p 315 GLN cc_start: 0.8282 (mm110) cc_final: 0.7866 (mm110) REVERT: p 318 LYS cc_start: 0.9468 (mttm) cc_final: 0.8783 (mttm) REVERT: p 332 PHE cc_start: 0.9264 (t80) cc_final: 0.9061 (t80) REVERT: p 350 PHE cc_start: 0.9405 (m-80) cc_final: 0.9171 (m-80) REVERT: p 360 GLU cc_start: 0.9351 (mm-30) cc_final: 0.8990 (mm-30) REVERT: p 391 THR cc_start: 0.9318 (p) cc_final: 0.9102 (t) REVERT: p 412 VAL cc_start: 0.9675 (m) cc_final: 0.9187 (m) REVERT: p 426 ASP cc_start: 0.9434 (t0) cc_final: 0.9092 (t0) REVERT: p 459 LEU cc_start: 0.8341 (mt) cc_final: 0.8132 (mt) REVERT: p 465 LYS cc_start: 0.9338 (mppt) cc_final: 0.9097 (mmtm) REVERT: p 481 ILE cc_start: 0.9313 (pt) cc_final: 0.9104 (pt) REVERT: p 484 PHE cc_start: 0.8410 (m-10) cc_final: 0.8180 (m-10) REVERT: p 513 PHE cc_start: 0.9496 (m-10) cc_final: 0.9197 (m-10) REVERT: p 516 VAL cc_start: 0.9543 (t) cc_final: 0.9101 (t) REVERT: q 112 CYS cc_start: 0.8995 (p) cc_final: 0.8634 (p) REVERT: q 123 GLN cc_start: 0.9186 (pt0) cc_final: 0.8523 (pt0) REVERT: q 147 MET cc_start: 0.8344 (mmp) cc_final: 0.7586 (mmp) REVERT: q 153 MET cc_start: 0.8518 (mtp) cc_final: 0.7472 (ttm) REVERT: q 172 THR cc_start: 0.9159 (p) cc_final: 0.8419 (p) REVERT: q 176 ASP cc_start: 0.8903 (t0) cc_final: 0.8552 (t70) REVERT: q 178 TYR cc_start: 0.8166 (m-80) cc_final: 0.7087 (m-80) REVERT: q 191 GLN cc_start: 0.9373 (tt0) cc_final: 0.8651 (tp40) REVERT: q 217 GLU cc_start: 0.9433 (pp20) cc_final: 0.9035 (pp20) REVERT: q 224 ILE cc_start: 0.9051 (tt) cc_final: 0.8794 (tt) REVERT: q 228 MET cc_start: 0.8777 (ptp) cc_final: 0.8466 (ptp) REVERT: q 248 ASN cc_start: 0.9541 (m-40) cc_final: 0.9291 (m-40) REVERT: q 250 MET cc_start: 0.8653 (mpp) cc_final: 0.7594 (mpp) REVERT: q 260 GLU cc_start: 0.7803 (pp20) cc_final: 0.7370 (pp20) REVERT: q 282 HIS cc_start: 0.9132 (t-90) cc_final: 0.8827 (t-90) REVERT: q 310 ILE cc_start: 0.9688 (mt) cc_final: 0.9469 (mt) REVERT: q 328 LYS cc_start: 0.9452 (tptm) cc_final: 0.9142 (tppt) REVERT: q 333 ASP cc_start: 0.8461 (t0) cc_final: 0.8208 (t0) REVERT: q 336 ASP cc_start: 0.9060 (t0) cc_final: 0.8584 (t70) REVERT: q 359 LYS cc_start: 0.9217 (ttpt) cc_final: 0.8903 (ttpt) REVERT: q 410 LYS cc_start: 0.8942 (mmtt) cc_final: 0.8437 (mtmt) REVERT: q 421 TYR cc_start: 0.9421 (m-10) cc_final: 0.9175 (m-10) REVERT: q 426 ASP cc_start: 0.8517 (t0) cc_final: 0.8136 (t0) REVERT: q 444 MET cc_start: 0.9040 (mmm) cc_final: 0.8801 (mmm) REVERT: q 471 MET cc_start: 0.8369 (tpp) cc_final: 0.8159 (tpp) REVERT: q 481 ILE cc_start: 0.9556 (pt) cc_final: 0.9345 (pt) REVERT: q 482 ASN cc_start: 0.9356 (t0) cc_final: 0.8927 (t0) REVERT: q 513 PHE cc_start: 0.9594 (m-10) cc_final: 0.8975 (m-10) REVERT: q 515 ARG cc_start: 0.8284 (ptt180) cc_final: 0.7737 (ptm160) REVERT: r 68 ILE cc_start: 0.8553 (pt) cc_final: 0.7696 (mm) REVERT: r 105 ASN cc_start: 0.8923 (m110) cc_final: 0.8629 (m110) REVERT: r 134 ASP cc_start: 0.8782 (t0) cc_final: 0.8416 (t0) REVERT: r 145 HIS cc_start: 0.9372 (t-90) cc_final: 0.8619 (t-90) REVERT: r 151 ASP cc_start: 0.9202 (t0) cc_final: 0.8578 (t0) REVERT: r 154 PHE cc_start: 0.8619 (t80) cc_final: 0.8249 (t80) REVERT: r 176 ASP cc_start: 0.9008 (m-30) cc_final: 0.8200 (p0) REVERT: r 189 TYR cc_start: 0.8523 (m-80) cc_final: 0.8022 (m-80) REVERT: r 191 GLN cc_start: 0.9105 (tt0) cc_final: 0.8841 (tt0) REVERT: r 194 VAL cc_start: 0.9499 (t) cc_final: 0.9255 (p) REVERT: r 212 ILE cc_start: 0.9659 (mt) cc_final: 0.9433 (mt) REVERT: r 213 LYS cc_start: 0.8746 (mtpt) cc_final: 0.8417 (mtpt) REVERT: r 216 MET cc_start: 0.9184 (mtp) cc_final: 0.8728 (mtp) REVERT: r 266 LEU cc_start: 0.9432 (mt) cc_final: 0.9212 (mt) REVERT: r 267 LYS cc_start: 0.8778 (tttt) cc_final: 0.8206 (tptt) REVERT: r 293 ILE cc_start: 0.9496 (mm) cc_final: 0.9229 (mm) REVERT: r 297 GLU cc_start: 0.9174 (mm-30) cc_final: 0.8205 (mm-30) REVERT: r 300 LEU cc_start: 0.9401 (mt) cc_final: 0.9061 (mt) REVERT: r 309 TRP cc_start: 0.9286 (m100) cc_final: 0.8125 (m100) REVERT: r 321 MET cc_start: 0.9066 (ptt) cc_final: 0.8677 (ptt) REVERT: r 333 ASP cc_start: 0.8439 (t0) cc_final: 0.8103 (t0) REVERT: r 336 ASP cc_start: 0.9129 (t0) cc_final: 0.8834 (t0) REVERT: r 339 ASP cc_start: 0.8941 (t0) cc_final: 0.8527 (t0) REVERT: r 350 PHE cc_start: 0.9356 (m-10) cc_final: 0.9059 (m-80) REVERT: r 372 GLU cc_start: 0.8777 (pm20) cc_final: 0.8534 (pm20) REVERT: r 390 ASP cc_start: 0.8329 (t0) cc_final: 0.7714 (t0) REVERT: r 404 PHE cc_start: 0.8886 (m-80) cc_final: 0.8077 (m-80) REVERT: r 407 ASP cc_start: 0.8416 (t0) cc_final: 0.7266 (t70) REVERT: r 410 LYS cc_start: 0.9218 (mptt) cc_final: 0.8559 (mptt) REVERT: r 420 LYS cc_start: 0.9305 (ttmm) cc_final: 0.8988 (ttmm) REVERT: r 424 TYR cc_start: 0.8706 (m-80) cc_final: 0.8271 (m-80) REVERT: r 431 GLN cc_start: 0.8221 (mp10) cc_final: 0.7778 (mp10) REVERT: r 484 PHE cc_start: 0.8668 (m-80) cc_final: 0.7556 (m-10) REVERT: r 515 ARG cc_start: 0.8500 (ttp80) cc_final: 0.8092 (ttp80) REVERT: s 90 GLN cc_start: 0.9398 (mm-40) cc_final: 0.8978 (mp10) REVERT: s 98 MET cc_start: 0.7141 (ppp) cc_final: 0.6737 (ppp) REVERT: s 134 ASP cc_start: 0.9053 (t0) cc_final: 0.8753 (t0) REVERT: s 136 VAL cc_start: 0.9630 (t) cc_final: 0.9341 (m) REVERT: s 145 HIS cc_start: 0.8738 (t-90) cc_final: 0.8446 (t-90) REVERT: s 147 MET cc_start: 0.8750 (mtt) cc_final: 0.8242 (tpp) REVERT: s 153 MET cc_start: 0.9708 (mmt) cc_final: 0.9416 (mmm) REVERT: s 157 GLN cc_start: 0.8845 (tp-100) cc_final: 0.8493 (tp40) REVERT: s 212 ILE cc_start: 0.9768 (mt) cc_final: 0.9435 (mt) REVERT: s 213 LYS cc_start: 0.8960 (mtmt) cc_final: 0.8639 (mttm) REVERT: s 216 MET cc_start: 0.9495 (mtm) cc_final: 0.9165 (mtm) REVERT: s 265 GLN cc_start: 0.9126 (pt0) cc_final: 0.8737 (pm20) REVERT: s 277 ASP cc_start: 0.9542 (m-30) cc_final: 0.9287 (m-30) REVERT: s 299 MET cc_start: 0.9212 (mtm) cc_final: 0.8833 (mmm) REVERT: s 309 TRP cc_start: 0.8794 (m100) cc_final: 0.8507 (m100) REVERT: s 311 ASN cc_start: 0.9536 (m-40) cc_final: 0.8983 (m-40) REVERT: s 316 VAL cc_start: 0.8482 (t) cc_final: 0.8186 (t) REVERT: s 334 PHE cc_start: 0.9409 (m-80) cc_final: 0.8741 (m-80) REVERT: s 345 TRP cc_start: 0.9005 (p-90) cc_final: 0.8246 (p-90) REVERT: s 350 PHE cc_start: 0.9336 (m-80) cc_final: 0.9014 (m-10) REVERT: s 376 ILE cc_start: 0.9365 (tp) cc_final: 0.9123 (tp) REVERT: s 404 PHE cc_start: 0.8560 (m-80) cc_final: 0.7940 (m-80) REVERT: s 413 PHE cc_start: 0.9175 (t80) cc_final: 0.8968 (t80) REVERT: s 432 ASP cc_start: 0.9402 (t70) cc_final: 0.9037 (t0) REVERT: s 434 PHE cc_start: 0.9243 (p90) cc_final: 0.8966 (p90) REVERT: s 436 VAL cc_start: 0.9700 (m) cc_final: 0.9385 (m) REVERT: s 456 LEU cc_start: 0.9499 (pp) cc_final: 0.9267 (pp) REVERT: s 466 ASN cc_start: 0.8453 (p0) cc_final: 0.7852 (m110) REVERT: s 481 ILE cc_start: 0.9181 (mm) cc_final: 0.8731 (mm) REVERT: s 482 ASN cc_start: 0.8555 (t0) cc_final: 0.7579 (t0) REVERT: s 498 SER cc_start: 0.9047 (p) cc_final: 0.8842 (p) REVERT: s 500 MET cc_start: 0.9116 (ttm) cc_final: 0.8805 (mmm) REVERT: s 514 ARG cc_start: 0.7996 (mtp85) cc_final: 0.7443 (tpp80) REVERT: t 110 ASP cc_start: 0.7964 (m-30) cc_final: 0.7266 (t0) REVERT: t 131 TYR cc_start: 0.8426 (p90) cc_final: 0.8185 (p90) REVERT: t 142 GLU cc_start: 0.6197 (tt0) cc_final: 0.5940 (tt0) REVERT: t 144 PHE cc_start: 0.8251 (m-10) cc_final: 0.7838 (m-10) REVERT: t 153 MET cc_start: 0.9303 (mtp) cc_final: 0.7836 (mtm) REVERT: t 154 PHE cc_start: 0.9097 (t80) cc_final: 0.8777 (t80) REVERT: t 157 GLN cc_start: 0.8744 (tm-30) cc_final: 0.8181 (tm-30) REVERT: t 166 LEU cc_start: 0.9178 (mt) cc_final: 0.8829 (mt) REVERT: t 176 ASP cc_start: 0.8758 (m-30) cc_final: 0.8416 (m-30) REVERT: t 183 GLN cc_start: 0.9018 (tp-100) cc_final: 0.8174 (pp30) REVERT: t 216 MET cc_start: 0.9429 (ptp) cc_final: 0.8958 (ptp) REVERT: t 221 LEU cc_start: 0.9767 (mm) cc_final: 0.9545 (mm) REVERT: t 223 GLU cc_start: 0.8581 (tt0) cc_final: 0.7911 (tt0) REVERT: t 299 MET cc_start: 0.8680 (mtp) cc_final: 0.8330 (mtt) REVERT: t 305 GLU cc_start: 0.9061 (mt-10) cc_final: 0.8374 (mt-10) REVERT: t 318 LYS cc_start: 0.9390 (mtpp) cc_final: 0.8513 (mtpp) REVERT: t 345 TRP cc_start: 0.8973 (t60) cc_final: 0.8341 (t60) REVERT: t 349 SER cc_start: 0.9786 (p) cc_final: 0.9411 (m) REVERT: t 350 PHE cc_start: 0.9629 (m-10) cc_final: 0.9247 (m-10) REVERT: t 356 GLN cc_start: 0.9260 (tp40) cc_final: 0.8241 (tp-100) REVERT: t 359 LYS cc_start: 0.9574 (tttp) cc_final: 0.9309 (tttp) REVERT: t 360 GLU cc_start: 0.9527 (mt-10) cc_final: 0.9038 (mt-10) REVERT: t 363 GLU cc_start: 0.9199 (tp30) cc_final: 0.8220 (tp30) REVERT: t 364 ILE cc_start: 0.9394 (mt) cc_final: 0.8866 (mt) REVERT: t 367 GLN cc_start: 0.9367 (tp40) cc_final: 0.8703 (mm110) REVERT: t 381 ASN cc_start: 0.9055 (m-40) cc_final: 0.8546 (p0) REVERT: t 385 VAL cc_start: 0.9756 (t) cc_final: 0.9408 (p) REVERT: t 400 LEU cc_start: 0.9457 (mt) cc_final: 0.9207 (mt) REVERT: t 413 PHE cc_start: 0.8891 (t80) cc_final: 0.8447 (t80) REVERT: t 420 LYS cc_start: 0.8981 (mmpt) cc_final: 0.8770 (mmmt) REVERT: t 432 ASP cc_start: 0.6786 (t0) cc_final: 0.3758 (m-30) REVERT: t 453 TYR cc_start: 0.6831 (t80) cc_final: 0.6428 (t80) REVERT: t 463 ASP cc_start: 0.8240 (t0) cc_final: 0.7889 (t70) REVERT: t 481 ILE cc_start: 0.9368 (mt) cc_final: 0.9122 (mm) REVERT: t 482 ASN cc_start: 0.8691 (p0) cc_final: 0.8043 (p0) REVERT: t 484 PHE cc_start: 0.7419 (m-80) cc_final: 0.6979 (m-80) REVERT: t 510 ASN cc_start: 0.9367 (t0) cc_final: 0.8711 (p0) REVERT: u 71 ASP cc_start: 0.7534 (t0) cc_final: 0.6593 (t0) REVERT: u 75 ASN cc_start: 0.8804 (t0) cc_final: 0.8596 (t0) REVERT: u 96 MET cc_start: 0.7126 (mtm) cc_final: 0.6780 (mtm) REVERT: u 105 ASN cc_start: 0.8422 (m-40) cc_final: 0.7726 (t0) REVERT: u 117 MET cc_start: 0.8012 (mmp) cc_final: 0.7553 (mmm) REVERT: u 147 MET cc_start: 0.8864 (mtp) cc_final: 0.8325 (mtp) REVERT: u 153 MET cc_start: 0.7448 (mmt) cc_final: 0.6975 (mmt) REVERT: u 157 GLN cc_start: 0.8426 (tm-30) cc_final: 0.7618 (tm-30) REVERT: u 204 ASP cc_start: 0.9006 (t0) cc_final: 0.8793 (t0) REVERT: u 214 LYS cc_start: 0.9183 (mttt) cc_final: 0.8893 (ptmt) REVERT: u 216 MET cc_start: 0.9488 (tmm) cc_final: 0.9200 (tpp) REVERT: u 221 LEU cc_start: 0.9376 (mt) cc_final: 0.9138 (mt) REVERT: u 226 GLU cc_start: 0.8500 (tm-30) cc_final: 0.7897 (pp20) REVERT: u 240 ASN cc_start: 0.8239 (m110) cc_final: 0.7791 (m110) REVERT: u 250 MET cc_start: 0.8768 (mmm) cc_final: 0.8307 (mmm) REVERT: u 309 TRP cc_start: 0.9055 (m100) cc_final: 0.7611 (m100) REVERT: u 356 GLN cc_start: 0.9491 (tp40) cc_final: 0.9132 (tp-100) REVERT: u 367 GLN cc_start: 0.8867 (mt0) cc_final: 0.8540 (mm110) REVERT: u 391 THR cc_start: 0.8901 (p) cc_final: 0.8626 (p) REVERT: u 404 PHE cc_start: 0.8174 (m-80) cc_final: 0.7336 (m-80) REVERT: u 417 LEU cc_start: 0.9842 (tp) cc_final: 0.9602 (tp) REVERT: u 426 ASP cc_start: 0.9315 (t0) cc_final: 0.9064 (t0) REVERT: u 428 TYR cc_start: 0.9057 (m-10) cc_final: 0.8653 (m-10) REVERT: u 459 LEU cc_start: 0.5115 (tp) cc_final: 0.4893 (tp) REVERT: u 487 SER cc_start: 0.9050 (p) cc_final: 0.8602 (p) REVERT: u 510 ASN cc_start: 0.9344 (t0) cc_final: 0.9083 (t0) REVERT: u 515 ARG cc_start: 0.7702 (ttt180) cc_final: 0.6693 (ttt180) REVERT: v 89 THR cc_start: 0.9401 (p) cc_final: 0.8853 (p) REVERT: v 90 GLN cc_start: 0.8566 (mm110) cc_final: 0.8294 (mp10) REVERT: v 101 ARG cc_start: 0.7773 (mmm-85) cc_final: 0.7042 (mmm-85) REVERT: v 105 ASN cc_start: 0.8231 (m110) cc_final: 0.7931 (m110) REVERT: v 142 GLU cc_start: 0.8976 (tt0) cc_final: 0.8594 (tt0) REVERT: v 145 HIS cc_start: 0.8942 (t-90) cc_final: 0.8211 (t-90) REVERT: v 147 MET cc_start: 0.7155 (mtt) cc_final: 0.6806 (mtt) REVERT: v 154 PHE cc_start: 0.8877 (t80) cc_final: 0.8246 (t80) REVERT: v 166 LEU cc_start: 0.9297 (tp) cc_final: 0.9041 (tp) REVERT: v 180 HIS cc_start: 0.8715 (t-90) cc_final: 0.7371 (t-90) REVERT: v 228 MET cc_start: 0.7370 (ttp) cc_final: 0.7126 (ttp) REVERT: v 259 ILE cc_start: 0.9154 (tt) cc_final: 0.8912 (mp) REVERT: v 290 LEU cc_start: 0.9334 (mt) cc_final: 0.9131 (mt) REVERT: v 297 GLU cc_start: 0.9334 (tp30) cc_final: 0.8918 (tp30) REVERT: v 300 LEU cc_start: 0.9724 (mt) cc_final: 0.9471 (mt) REVERT: v 301 GLU cc_start: 0.7540 (mt-10) cc_final: 0.6855 (mt-10) REVERT: v 345 TRP cc_start: 0.7750 (m100) cc_final: 0.6789 (m100) REVERT: v 355 PHE cc_start: 0.9675 (t80) cc_final: 0.9370 (t80) REVERT: v 359 LYS cc_start: 0.9643 (mtmt) cc_final: 0.9402 (mtmm) REVERT: v 376 ILE cc_start: 0.9228 (tt) cc_final: 0.9025 (tt) REVERT: v 377 ILE cc_start: 0.9278 (mm) cc_final: 0.8922 (tp) REVERT: v 404 PHE cc_start: 0.9204 (m-80) cc_final: 0.8866 (m-80) REVERT: v 405 SER cc_start: 0.9498 (t) cc_final: 0.9127 (p) REVERT: v 413 PHE cc_start: 0.9150 (t80) cc_final: 0.8419 (t80) REVERT: v 452 PRO cc_start: 0.9260 (Cg_endo) cc_final: 0.9038 (Cg_exo) REVERT: v 460 ARG cc_start: 0.8441 (mmm-85) cc_final: 0.7868 (mmm-85) REVERT: v 471 MET cc_start: 0.9011 (ttt) cc_final: 0.8570 (ttt) REVERT: v 473 PHE cc_start: 0.9064 (m-80) cc_final: 0.8488 (m-80) REVERT: v 497 GLN cc_start: 0.8370 (mt0) cc_final: 0.8020 (mm110) REVERT: v 510 ASN cc_start: 0.8940 (t0) cc_final: 0.8725 (t0) REVERT: v 513 PHE cc_start: 0.9369 (m-80) cc_final: 0.9074 (m-80) REVERT: v 517 TYR cc_start: 0.9041 (m-80) cc_final: 0.8827 (m-80) REVERT: w 109 PHE cc_start: 0.6871 (m-80) cc_final: 0.5683 (m-80) REVERT: w 115 GLN cc_start: 0.9021 (mt0) cc_final: 0.8806 (mt0) REVERT: w 117 MET cc_start: 0.8608 (mmp) cc_final: 0.8388 (mmp) REVERT: w 125 PHE cc_start: 0.8029 (m-10) cc_final: 0.7592 (m-10) REVERT: w 130 VAL cc_start: 0.9620 (m) cc_final: 0.9318 (p) REVERT: w 178 TYR cc_start: 0.9102 (m-80) cc_final: 0.8471 (m-80) REVERT: w 190 LEU cc_start: 0.8984 (mm) cc_final: 0.8778 (mm) REVERT: w 256 LYS cc_start: 0.9388 (pttt) cc_final: 0.8596 (ptpt) REVERT: w 257 GLN cc_start: 0.9418 (mt0) cc_final: 0.9110 (mt0) REVERT: w 265 GLN cc_start: 0.9119 (pt0) cc_final: 0.8854 (pt0) REVERT: w 272 ILE cc_start: 0.7976 (mt) cc_final: 0.7768 (mt) REVERT: w 294 LEU cc_start: 0.9322 (tp) cc_final: 0.8477 (tp) REVERT: w 309 TRP cc_start: 0.9205 (m100) cc_final: 0.8137 (m100) REVERT: w 311 ASN cc_start: 0.9776 (m110) cc_final: 0.9128 (t0) REVERT: w 345 TRP cc_start: 0.9190 (t60) cc_final: 0.8398 (t60) REVERT: w 356 GLN cc_start: 0.9647 (tp40) cc_final: 0.9238 (tp-100) REVERT: w 359 LYS cc_start: 0.9242 (tttp) cc_final: 0.9042 (tttt) REVERT: w 376 ILE cc_start: 0.9339 (mt) cc_final: 0.8841 (tp) REVERT: w 377 ILE cc_start: 0.8654 (mp) cc_final: 0.8222 (tp) REVERT: w 384 ASN cc_start: 0.9418 (m-40) cc_final: 0.9132 (m-40) REVERT: w 391 THR cc_start: 0.9143 (p) cc_final: 0.8900 (p) REVERT: w 404 PHE cc_start: 0.9290 (m-80) cc_final: 0.8759 (m-80) REVERT: w 410 LYS cc_start: 0.8976 (mmtt) cc_final: 0.8695 (mmtt) REVERT: w 424 TYR cc_start: 0.7702 (m-10) cc_final: 0.7329 (m-10) REVERT: w 434 PHE cc_start: 0.9395 (p90) cc_final: 0.9191 (p90) REVERT: w 449 TYR cc_start: 0.8638 (m-80) cc_final: 0.8363 (m-80) REVERT: w 460 ARG cc_start: 0.9015 (pmt-80) cc_final: 0.8613 (ttp80) REVERT: w 471 MET cc_start: 0.7524 (tmm) cc_final: 0.7058 (tmm) REVERT: w 473 PHE cc_start: 0.8709 (m-80) cc_final: 0.7320 (m-80) REVERT: w 481 ILE cc_start: 0.9190 (pt) cc_final: 0.8953 (pt) REVERT: w 487 SER cc_start: 0.8602 (m) cc_final: 0.8385 (m) REVERT: w 516 VAL cc_start: 0.9540 (t) cc_final: 0.9277 (t) REVERT: w 517 TYR cc_start: 0.9475 (m-10) cc_final: 0.9245 (m-10) REVERT: x 83 GLN cc_start: 0.8947 (tm-30) cc_final: 0.8467 (tm-30) REVERT: x 96 MET cc_start: 0.9123 (mmp) cc_final: 0.8739 (mmm) REVERT: x 105 ASN cc_start: 0.7960 (m110) cc_final: 0.7511 (m110) REVERT: x 118 ASN cc_start: 0.8664 (t0) cc_final: 0.8459 (t0) REVERT: x 125 PHE cc_start: 0.7842 (m-80) cc_final: 0.7390 (m-80) REVERT: x 145 HIS cc_start: 0.8631 (t-90) cc_final: 0.7832 (t-90) REVERT: x 147 MET cc_start: 0.8598 (mmm) cc_final: 0.8373 (mmm) REVERT: x 153 MET cc_start: 0.7895 (ptt) cc_final: 0.7351 (ptt) REVERT: x 166 LEU cc_start: 0.9495 (mt) cc_final: 0.9222 (mt) REVERT: x 176 ASP cc_start: 0.8702 (t0) cc_final: 0.8480 (t0) REVERT: x 178 TYR cc_start: 0.8376 (m-80) cc_final: 0.7683 (m-80) REVERT: x 182 PHE cc_start: 0.8395 (m-80) cc_final: 0.7713 (m-10) REVERT: x 199 ASP cc_start: 0.7811 (t0) cc_final: 0.7352 (t0) REVERT: x 204 ASP cc_start: 0.9480 (t0) cc_final: 0.9260 (t70) REVERT: x 212 ILE cc_start: 0.9775 (mt) cc_final: 0.9456 (mt) REVERT: x 213 LYS cc_start: 0.9537 (mttt) cc_final: 0.8771 (mttt) REVERT: x 217 GLU cc_start: 0.8886 (mm-30) cc_final: 0.8542 (mm-30) REVERT: x 228 MET cc_start: 0.8756 (mtp) cc_final: 0.7974 (mtp) REVERT: x 240 ASN cc_start: 0.9465 (t0) cc_final: 0.9200 (t0) REVERT: x 249 GLU cc_start: 0.8841 (mt-10) cc_final: 0.8255 (mt-10) REVERT: x 267 LYS cc_start: 0.8924 (ptmt) cc_final: 0.8520 (ptmt) REVERT: x 302 ILE cc_start: 0.9575 (mt) cc_final: 0.9337 (mt) REVERT: x 311 ASN cc_start: 0.9776 (m-40) cc_final: 0.8943 (m-40) REVERT: x 318 LYS cc_start: 0.8946 (ttmt) cc_final: 0.8243 (ttmm) REVERT: x 321 MET cc_start: 0.9511 (ptp) cc_final: 0.9264 (ptt) REVERT: x 336 ASP cc_start: 0.8872 (t0) cc_final: 0.8510 (t0) REVERT: x 360 GLU cc_start: 0.9609 (mm-30) cc_final: 0.9001 (mm-30) REVERT: x 381 ASN cc_start: 0.8898 (p0) cc_final: 0.8558 (p0) REVERT: x 398 GLN cc_start: 0.8857 (tm-30) cc_final: 0.8471 (tm-30) REVERT: x 410 LYS cc_start: 0.9242 (mmmm) cc_final: 0.8914 (mmmm) REVERT: x 412 VAL cc_start: 0.9233 (t) cc_final: 0.8963 (t) REVERT: x 430 LYS cc_start: 0.8835 (mmmt) cc_final: 0.8373 (mmmm) REVERT: x 442 ASN cc_start: 0.8311 (t0) cc_final: 0.7885 (t0) REVERT: x 444 MET cc_start: 0.8833 (mmp) cc_final: 0.8601 (mmm) REVERT: x 459 LEU cc_start: 0.8925 (mt) cc_final: 0.8652 (mt) REVERT: x 463 ASP cc_start: 0.8396 (t0) cc_final: 0.7701 (t0) REVERT: x 476 ARG cc_start: 0.7180 (ttm170) cc_final: 0.6525 (ttm170) REVERT: x 481 ILE cc_start: 0.8913 (pt) cc_final: 0.8560 (pt) REVERT: x 486 GLU cc_start: 0.9236 (tm-30) cc_final: 0.9005 (tm-30) REVERT: x 490 GLN cc_start: 0.9263 (mp-120) cc_final: 0.8836 (mp-120) REVERT: x 512 TYR cc_start: 0.9118 (m-80) cc_final: 0.8122 (m-80) REVERT: x 514 ARG cc_start: 0.8480 (mmt90) cc_final: 0.7864 (tpp80) REVERT: y 98 MET cc_start: 0.7864 (ptt) cc_final: 0.7547 (ptt) REVERT: y 103 ILE cc_start: 0.9181 (mt) cc_final: 0.8975 (mt) REVERT: y 105 ASN cc_start: 0.7560 (m110) cc_final: 0.7304 (m-40) REVERT: y 112 CYS cc_start: 0.9497 (m) cc_final: 0.8992 (p) REVERT: y 115 GLN cc_start: 0.9020 (tp40) cc_final: 0.8525 (tp40) REVERT: y 117 MET cc_start: 0.7295 (ttt) cc_final: 0.6583 (ttt) REVERT: y 134 ASP cc_start: 0.9201 (t0) cc_final: 0.8892 (t0) REVERT: y 153 MET cc_start: 0.8104 (mtp) cc_final: 0.6123 (mmm) REVERT: y 154 PHE cc_start: 0.8734 (t80) cc_final: 0.7985 (t80) REVERT: y 180 HIS cc_start: 0.8688 (t70) cc_final: 0.8418 (t70) REVERT: y 216 MET cc_start: 0.9667 (ptp) cc_final: 0.9433 (ptp) REVERT: y 228 MET cc_start: 0.8727 (tpp) cc_final: 0.8070 (tpp) REVERT: y 250 MET cc_start: 0.7216 (ttm) cc_final: 0.6955 (ttm) REVERT: y 252 PHE cc_start: 0.9427 (p90) cc_final: 0.9099 (p90) REVERT: y 256 LYS cc_start: 0.6646 (tttt) cc_final: 0.6287 (tptt) REVERT: y 273 GLU cc_start: 0.9210 (mp0) cc_final: 0.8902 (mp0) REVERT: y 313 SER cc_start: 0.9429 (p) cc_final: 0.8842 (t) REVERT: y 348 GLU cc_start: 0.9155 (tt0) cc_final: 0.7967 (tt0) REVERT: y 363 GLU cc_start: 0.9117 (tp30) cc_final: 0.8437 (tp30) REVERT: y 375 PHE cc_start: 0.9369 (p90) cc_final: 0.8745 (p90) REVERT: y 404 PHE cc_start: 0.8809 (m-80) cc_final: 0.7895 (m-80) REVERT: y 424 TYR cc_start: 0.8904 (m-80) cc_final: 0.8223 (m-80) REVERT: y 426 ASP cc_start: 0.9194 (t0) cc_final: 0.8722 (t0) REVERT: y 432 ASP cc_start: 0.6089 (t0) cc_final: 0.5639 (t70) REVERT: y 433 TYR cc_start: 0.6616 (p90) cc_final: 0.5417 (p90) REVERT: y 453 TYR cc_start: 0.7525 (t80) cc_final: 0.6817 (t80) REVERT: y 463 ASP cc_start: 0.9217 (t0) cc_final: 0.8892 (t0) REVERT: y 471 MET cc_start: 0.8426 (tpt) cc_final: 0.8085 (tpp) REVERT: y 481 ILE cc_start: 0.9291 (tp) cc_final: 0.8774 (tp) REVERT: y 497 GLN cc_start: 0.8992 (tp-100) cc_final: 0.8476 (tm-30) REVERT: y 507 LEU cc_start: 0.9040 (tp) cc_final: 0.8834 (tp) REVERT: y 509 LYS cc_start: 0.9049 (mttp) cc_final: 0.8734 (mtmt) REVERT: z 148 TYR cc_start: 0.8953 (m-80) cc_final: 0.7865 (m-80) REVERT: z 153 MET cc_start: 0.9000 (mpp) cc_final: 0.8446 (mpp) REVERT: z 166 LEU cc_start: 0.8678 (mt) cc_final: 0.8401 (mt) REVERT: z 173 THR cc_start: 0.9135 (m) cc_final: 0.8843 (p) REVERT: z 189 TYR cc_start: 0.8497 (m-80) cc_final: 0.7954 (m-80) REVERT: z 199 ASP cc_start: 0.8865 (t0) cc_final: 0.8473 (t0) REVERT: z 250 MET cc_start: 0.8505 (mtp) cc_final: 0.7550 (ptm) REVERT: z 300 LEU cc_start: 0.9473 (mt) cc_final: 0.9247 (mt) REVERT: z 356 GLN cc_start: 0.9853 (tp-100) cc_final: 0.8891 (tp-100) REVERT: z 360 GLU cc_start: 0.9571 (mm-30) cc_final: 0.8646 (mm-30) REVERT: z 363 GLU cc_start: 0.9080 (tp30) cc_final: 0.8612 (tp30) REVERT: z 367 GLN cc_start: 0.8400 (mm110) cc_final: 0.7157 (mm110) REVERT: z 384 ASN cc_start: 0.9630 (m-40) cc_final: 0.9412 (m-40) REVERT: z 426 ASP cc_start: 0.8740 (t70) cc_final: 0.7991 (p0) REVERT: z 432 ASP cc_start: 0.7908 (p0) cc_final: 0.7403 (p0) REVERT: z 444 MET cc_start: 0.9359 (mmp) cc_final: 0.8830 (mmp) REVERT: z 518 VAL cc_start: 0.9047 (p) cc_final: 0.8656 (p) REVERT: A 72 HIS cc_start: 0.8090 (m90) cc_final: 0.7308 (m170) REVERT: A 78 ASN cc_start: 0.9347 (m110) cc_final: 0.8649 (t0) REVERT: A 134 ASP cc_start: 0.8529 (t70) cc_final: 0.8320 (t0) REVERT: A 147 MET cc_start: 0.9426 (mtm) cc_final: 0.8677 (mtm) REVERT: A 166 LEU cc_start: 0.8916 (mt) cc_final: 0.8677 (mt) REVERT: A 182 PHE cc_start: 0.8975 (m-80) cc_final: 0.8688 (m-80) REVERT: A 199 ASP cc_start: 0.8205 (t0) cc_final: 0.7898 (t0) REVERT: A 215 GLN cc_start: 0.9388 (mm-40) cc_final: 0.9159 (mm110) REVERT: A 228 MET cc_start: 0.8951 (mmp) cc_final: 0.8492 (mmm) REVERT: A 231 SER cc_start: 0.9315 (p) cc_final: 0.9015 (m) REVERT: A 250 MET cc_start: 0.6778 (mtp) cc_final: 0.6574 (ptm) REVERT: A 257 GLN cc_start: 0.8696 (mm-40) cc_final: 0.8217 (mm-40) REVERT: A 262 LYS cc_start: 0.8832 (mmmm) cc_final: 0.8497 (mmmm) REVERT: A 297 GLU cc_start: 0.9401 (tp30) cc_final: 0.9051 (tp30) REVERT: A 299 MET cc_start: 0.9651 (mmp) cc_final: 0.9345 (mmm) REVERT: A 315 GLN cc_start: 0.7170 (mt0) cc_final: 0.6650 (mt0) REVERT: A 363 GLU cc_start: 0.9284 (tp30) cc_final: 0.8404 (tp30) REVERT: A 410 LYS cc_start: 0.9515 (mmmm) cc_final: 0.9065 (tptp) REVERT: A 430 LYS cc_start: 0.7795 (tmtt) cc_final: 0.7111 (tmtt) REVERT: A 433 TYR cc_start: 0.7274 (p90) cc_final: 0.6928 (p90) REVERT: A 435 THR cc_start: 0.9483 (p) cc_final: 0.8904 (m) REVERT: A 453 TYR cc_start: 0.7609 (t80) cc_final: 0.7120 (t80) REVERT: A 474 LYS cc_start: 0.9330 (mttt) cc_final: 0.8889 (mmtt) REVERT: A 504 LEU cc_start: 0.9056 (mm) cc_final: 0.8694 (pp) REVERT: A 507 LEU cc_start: 0.7717 (tp) cc_final: 0.7457 (tp) REVERT: B 101 ARG cc_start: 0.9292 (mmt90) cc_final: 0.7910 (tpp-160) REVERT: B 107 ILE cc_start: 0.8867 (pt) cc_final: 0.8638 (pt) REVERT: B 112 CYS cc_start: 0.8287 (p) cc_final: 0.7881 (p) REVERT: B 131 TYR cc_start: 0.7968 (p90) cc_final: 0.7312 (p90) REVERT: B 141 LYS cc_start: 0.8603 (mmmt) cc_final: 0.8147 (mtmt) REVERT: B 145 HIS cc_start: 0.9236 (t-90) cc_final: 0.8554 (t-90) REVERT: B 147 MET cc_start: 0.8949 (mmm) cc_final: 0.8678 (mmm) REVERT: B 151 ASP cc_start: 0.8006 (t0) cc_final: 0.7183 (t0) REVERT: B 153 MET cc_start: 0.8154 (pmm) cc_final: 0.7823 (pmm) REVERT: B 163 PHE cc_start: 0.7602 (m-10) cc_final: 0.7336 (m-10) REVERT: B 172 THR cc_start: 0.8425 (p) cc_final: 0.7801 (p) REVERT: B 178 TYR cc_start: 0.7757 (m-80) cc_final: 0.6812 (m-80) REVERT: B 182 PHE cc_start: 0.9142 (m-10) cc_final: 0.8828 (m-10) REVERT: B 198 ILE cc_start: 0.9235 (mt) cc_final: 0.8490 (tp) REVERT: B 211 GLU cc_start: 0.8545 (tp30) cc_final: 0.7783 (tp30) REVERT: B 213 LYS cc_start: 0.9383 (ptpt) cc_final: 0.9067 (mmtt) REVERT: B 217 GLU cc_start: 0.7999 (mm-30) cc_final: 0.7545 (mm-30) REVERT: B 236 GLN cc_start: 0.8578 (tp40) cc_final: 0.8054 (tp40) REVERT: B 250 MET cc_start: 0.8166 (mtp) cc_final: 0.7835 (mmm) REVERT: B 297 GLU cc_start: 0.9247 (mm-30) cc_final: 0.8823 (mm-30) REVERT: B 301 GLU cc_start: 0.8485 (tt0) cc_final: 0.8157 (tt0) REVERT: B 303 ASN cc_start: 0.8558 (t160) cc_final: 0.8267 (t0) REVERT: B 304 ARG cc_start: 0.8940 (mmm-85) cc_final: 0.7445 (ttm110) REVERT: B 305 GLU cc_start: 0.9086 (tt0) cc_final: 0.8607 (tt0) REVERT: B 318 LYS cc_start: 0.9312 (tppt) cc_final: 0.8759 (tppt) REVERT: B 321 MET cc_start: 0.8598 (mmp) cc_final: 0.7900 (mmm) REVERT: B 336 ASP cc_start: 0.8298 (t0) cc_final: 0.7829 (t70) REVERT: B 363 GLU cc_start: 0.9500 (tp30) cc_final: 0.9005 (tp30) REVERT: B 377 ILE cc_start: 0.9190 (mt) cc_final: 0.8913 (tp) REVERT: B 404 PHE cc_start: 0.8518 (m-80) cc_final: 0.8191 (m-80) REVERT: B 413 PHE cc_start: 0.8912 (t80) cc_final: 0.8494 (t80) REVERT: B 426 ASP cc_start: 0.8640 (t0) cc_final: 0.8178 (t0) REVERT: B 442 ASN cc_start: 0.9230 (t0) cc_final: 0.8802 (p0) REVERT: B 463 ASP cc_start: 0.8912 (t70) cc_final: 0.8652 (t70) REVERT: B 466 ASN cc_start: 0.9018 (p0) cc_final: 0.8752 (p0) REVERT: B 481 ILE cc_start: 0.8821 (pt) cc_final: 0.8122 (pt) REVERT: B 482 ASN cc_start: 0.8287 (t0) cc_final: 0.8039 (t0) REVERT: B 505 ASN cc_start: 0.9477 (m-40) cc_final: 0.9171 (m-40) REVERT: B 510 ASN cc_start: 0.8343 (t0) cc_final: 0.7488 (t0) REVERT: B 512 TYR cc_start: 0.8692 (m-10) cc_final: 0.8310 (m-10) REVERT: B 513 PHE cc_start: 0.8990 (m-80) cc_final: 0.8244 (m-80) REVERT: B 518 VAL cc_start: 0.9672 (t) cc_final: 0.9452 (t) REVERT: C 96 MET cc_start: 0.8370 (mtm) cc_final: 0.8078 (mtm) REVERT: C 98 MET cc_start: 0.6225 (mtp) cc_final: 0.5885 (mtp) REVERT: C 105 ASN cc_start: 0.8356 (m110) cc_final: 0.7670 (m-40) REVERT: C 107 ILE cc_start: 0.9314 (mt) cc_final: 0.9029 (mt) REVERT: C 119 SER cc_start: 0.9558 (p) cc_final: 0.9169 (m) REVERT: C 123 GLN cc_start: 0.9393 (pt0) cc_final: 0.8822 (pt0) REVERT: C 127 LEU cc_start: 0.8661 (tp) cc_final: 0.8431 (tp) REVERT: C 145 HIS cc_start: 0.9179 (t-90) cc_final: 0.8282 (t-90) REVERT: C 177 ILE cc_start: 0.9623 (pt) cc_final: 0.9404 (mp) REVERT: C 209 ASP cc_start: 0.9151 (t70) cc_final: 0.8935 (m-30) REVERT: C 211 GLU cc_start: 0.8995 (tp30) cc_final: 0.7699 (tp30) REVERT: C 212 ILE cc_start: 0.9769 (mm) cc_final: 0.9528 (mm) REVERT: C 213 LYS cc_start: 0.9469 (mtmt) cc_final: 0.9023 (mmmt) REVERT: C 215 GLN cc_start: 0.8257 (mm-40) cc_final: 0.7627 (mm110) REVERT: C 224 ILE cc_start: 0.9141 (pt) cc_final: 0.8788 (mm) REVERT: C 239 PHE cc_start: 0.3428 (m-80) cc_final: 0.3053 (m-80) REVERT: C 249 GLU cc_start: 0.7438 (mt-10) cc_final: 0.6636 (mt-10) REVERT: C 273 GLU cc_start: 0.9230 (mp0) cc_final: 0.8832 (pm20) REVERT: C 285 ASP cc_start: 0.9044 (m-30) cc_final: 0.8828 (m-30) REVERT: C 287 ASP cc_start: 0.9414 (p0) cc_final: 0.8947 (t0) REVERT: C 312 TYR cc_start: 0.9446 (t80) cc_final: 0.9243 (t80) REVERT: C 321 MET cc_start: 0.8947 (pmm) cc_final: 0.8633 (pmm) REVERT: C 345 TRP cc_start: 0.9531 (t60) cc_final: 0.8971 (t60) REVERT: C 356 GLN cc_start: 0.9641 (tp40) cc_final: 0.9094 (tp-100) REVERT: C 359 LYS cc_start: 0.9514 (mtpt) cc_final: 0.8971 (mtpt) REVERT: C 452 PRO cc_start: 0.9039 (Cg_endo) cc_final: 0.7854 (Cg_exo) REVERT: C 481 ILE cc_start: 0.9372 (pt) cc_final: 0.8927 (pt) REVERT: C 505 ASN cc_start: 0.8608 (t0) cc_final: 0.8377 (t0) REVERT: D 83 GLN cc_start: 0.8433 (tm-30) cc_final: 0.8088 (tm-30) REVERT: D 105 ASN cc_start: 0.8488 (t0) cc_final: 0.8132 (t0) REVERT: D 106 LEU cc_start: 0.9163 (pp) cc_final: 0.8876 (pp) REVERT: D 107 ILE cc_start: 0.8005 (mp) cc_final: 0.7754 (mp) REVERT: D 109 PHE cc_start: 0.8947 (p90) cc_final: 0.8368 (p90) REVERT: D 145 HIS cc_start: 0.8589 (t-90) cc_final: 0.8130 (t-90) REVERT: D 148 TYR cc_start: 0.9298 (m-80) cc_final: 0.8960 (m-80) REVERT: D 157 GLN cc_start: 0.9025 (mt0) cc_final: 0.8712 (mt0) REVERT: D 166 LEU cc_start: 0.9031 (mt) cc_final: 0.8795 (mt) REVERT: D 190 LEU cc_start: 0.9466 (mm) cc_final: 0.9195 (mm) REVERT: D 213 LYS cc_start: 0.9372 (mttt) cc_final: 0.8754 (mttt) REVERT: D 216 MET cc_start: 0.9415 (mtm) cc_final: 0.9036 (ptp) REVERT: D 226 GLU cc_start: 0.8463 (tt0) cc_final: 0.8119 (tt0) REVERT: D 228 MET cc_start: 0.8435 (ttt) cc_final: 0.7772 (ttt) REVERT: D 250 MET cc_start: 0.9384 (pmm) cc_final: 0.8883 (pmm) REVERT: D 264 ARG cc_start: 0.4086 (mtt90) cc_final: 0.2112 (mtt90) REVERT: D 309 TRP cc_start: 0.9075 (m100) cc_final: 0.8073 (m100) REVERT: D 311 ASN cc_start: 0.9205 (m-40) cc_final: 0.8797 (m-40) REVERT: D 332 PHE cc_start: 0.8813 (t80) cc_final: 0.8198 (t80) REVERT: D 345 TRP cc_start: 0.9366 (p-90) cc_final: 0.8861 (p-90) REVERT: D 348 GLU cc_start: 0.8542 (mt-10) cc_final: 0.8099 (mt-10) REVERT: D 372 GLU cc_start: 0.8767 (tt0) cc_final: 0.8480 (tt0) REVERT: D 386 LEU cc_start: 0.9779 (mt) cc_final: 0.9577 (mt) REVERT: D 391 THR cc_start: 0.9512 (p) cc_final: 0.9242 (t) REVERT: D 404 PHE cc_start: 0.8854 (m-80) cc_final: 0.8630 (m-80) REVERT: D 448 ILE cc_start: 0.9679 (mt) cc_final: 0.9425 (mt) REVERT: D 481 ILE cc_start: 0.8524 (mm) cc_final: 0.8121 (tp) REVERT: D 486 GLU cc_start: 0.8842 (tt0) cc_final: 0.8513 (tm-30) REVERT: D 505 ASN cc_start: 0.9366 (t0) cc_final: 0.9121 (t0) REVERT: D 513 PHE cc_start: 0.9358 (m-80) cc_final: 0.8451 (m-80) REVERT: E 15 MET cc_start: 0.9048 (mtm) cc_final: 0.8797 (ptm) REVERT: E 36 LEU cc_start: 0.7676 (tp) cc_final: 0.7322 (mt) REVERT: E 37 ASP cc_start: 0.8838 (p0) cc_final: 0.8503 (t0) REVERT: E 69 MET cc_start: 0.8066 (ptt) cc_final: 0.7585 (tmm) REVERT: E 79 TYR cc_start: 0.9186 (m-10) cc_final: 0.8943 (m-80) REVERT: E 83 MET cc_start: 0.8302 (tmm) cc_final: 0.8040 (ppp) REVERT: E 111 LEU cc_start: 0.8787 (tp) cc_final: 0.7946 (tp) REVERT: E 112 ASN cc_start: 0.9435 (t0) cc_final: 0.8937 (p0) REVERT: E 126 MET cc_start: 0.9210 (ttt) cc_final: 0.8495 (tmm) REVERT: E 127 LEU cc_start: 0.9464 (mt) cc_final: 0.9189 (mt) REVERT: E 146 HIS cc_start: 0.8989 (m-70) cc_final: 0.8677 (m-70) REVERT: E 184 TYR cc_start: 0.7587 (m-10) cc_final: 0.7256 (m-10) REVERT: E 206 PHE cc_start: 0.8530 (p90) cc_final: 0.8255 (p90) REVERT: E 253 TYR cc_start: 0.9090 (m-10) cc_final: 0.8836 (m-10) REVERT: E 330 MET cc_start: 0.7909 (ptm) cc_final: 0.7551 (ptm) REVERT: E 366 ARG cc_start: 0.9002 (ttp-170) cc_final: 0.8645 (ttp-170) REVERT: E 371 MET cc_start: 0.9435 (mmp) cc_final: 0.8855 (mmp) REVERT: E 399 ASP cc_start: 0.9246 (m-30) cc_final: 0.8832 (m-30) REVERT: E 403 PHE cc_start: 0.8799 (m-10) cc_final: 0.8447 (m-10) REVERT: E 457 LEU cc_start: 0.9535 (mt) cc_final: 0.9319 (mt) REVERT: E 470 LEU cc_start: 0.9292 (mt) cc_final: 0.9053 (mt) REVERT: E 472 MET cc_start: 0.9454 (mtm) cc_final: 0.9253 (mtm) REVERT: F 1 MET cc_start: 0.7596 (pmm) cc_final: 0.6887 (pmm) REVERT: F 15 MET cc_start: 0.9493 (mtp) cc_final: 0.9227 (mtm) REVERT: F 26 GLU cc_start: 0.8642 (mp0) cc_final: 0.8356 (mp0) REVERT: F 31 ILE cc_start: 0.8024 (tt) cc_final: 0.7623 (tt) REVERT: F 83 MET cc_start: 0.7546 (tmm) cc_final: 0.7206 (tmm) REVERT: F 113 LEU cc_start: 0.7514 (mt) cc_final: 0.6767 (mt) REVERT: F 124 ASN cc_start: 0.9604 (t0) cc_final: 0.9360 (t0) REVERT: F 125 MET cc_start: 0.8840 (mtm) cc_final: 0.8631 (mtt) REVERT: F 126 MET cc_start: 0.9097 (mmm) cc_final: 0.8856 (mmm) REVERT: F 132 ASP cc_start: 0.9008 (t70) cc_final: 0.8762 (t0) REVERT: F 146 HIS cc_start: 0.9253 (m-70) cc_final: 0.8766 (m-70) REVERT: F 150 TRP cc_start: 0.8163 (t60) cc_final: 0.7675 (t60) REVERT: F 183 GLN cc_start: 0.7210 (mp10) cc_final: 0.6986 (mp10) REVERT: F 221 MET cc_start: -0.0123 (ptp) cc_final: -0.0438 (pmm) REVERT: F 230 ILE cc_start: 0.8648 (mm) cc_final: 0.8431 (mm) REVERT: F 236 VAL cc_start: 0.8805 (m) cc_final: 0.8196 (m) REVERT: F 239 HIS cc_start: 0.8602 (p90) cc_final: 0.8022 (p-80) REVERT: F 259 LYS cc_start: 0.7705 (tttp) cc_final: 0.7192 (tppt) REVERT: F 301 MET cc_start: 0.4882 (mmm) cc_final: 0.4502 (mmm) REVERT: F 365 PHE cc_start: 0.9581 (m-80) cc_final: 0.9195 (m-80) REVERT: F 371 MET cc_start: 0.7980 (mtp) cc_final: 0.7490 (mtp) REVERT: F 373 LEU cc_start: 0.9356 (mt) cc_final: 0.8844 (mt) REVERT: F 409 GLU cc_start: 0.9791 (mt-10) cc_final: 0.9573 (mt-10) REVERT: F 420 ASP cc_start: 0.9316 (t70) cc_final: 0.9079 (t70) REVERT: F 425 ASN cc_start: 0.9270 (m-40) cc_final: 0.8575 (p0) REVERT: F 427 LEU cc_start: 0.9154 (mm) cc_final: 0.8938 (mm) REVERT: F 432 ILE cc_start: 0.8153 (mm) cc_final: 0.7945 (mm) REVERT: F 436 GLU cc_start: 0.8743 (tp30) cc_final: 0.8364 (tp30) REVERT: F 440 GLU cc_start: 0.8935 (mt-10) cc_final: 0.8573 (mt-10) REVERT: F 445 LYS cc_start: 0.8916 (mtpp) cc_final: 0.8537 (mmtt) REVERT: F 446 ILE cc_start: 0.8859 (mm) cc_final: 0.8607 (mm) REVERT: F 459 GLU cc_start: 0.8700 (mt-10) cc_final: 0.8387 (mt-10) REVERT: F 464 GLU cc_start: 0.8894 (pp20) cc_final: 0.8585 (pp20) REVERT: F 465 ARG cc_start: 0.8494 (mtt180) cc_final: 0.8143 (ttm170) REVERT: F 476 PHE cc_start: 0.9144 (m-80) cc_final: 0.8935 (m-80) REVERT: F 479 LYS cc_start: 0.6918 (mttt) cc_final: 0.6370 (tptt) REVERT: F 480 TYR cc_start: 0.9058 (m-80) cc_final: 0.8028 (m-80) REVERT: F 481 ILE cc_start: 0.9417 (mm) cc_final: 0.8940 (tp) REVERT: G 8 LEU cc_start: 0.9484 (pt) cc_final: 0.8299 (mt) REVERT: G 9 PHE cc_start: 0.9360 (m-10) cc_final: 0.8212 (m-10) REVERT: G 20 PHE cc_start: 0.8066 (m-80) cc_final: 0.7825 (m-80) REVERT: G 31 ILE cc_start: 0.7735 (mt) cc_final: 0.7187 (mm) REVERT: G 43 PHE cc_start: 0.8962 (t80) cc_final: 0.8752 (t80) REVERT: G 70 LYS cc_start: 0.8493 (tptm) cc_final: 0.8136 (mttp) REVERT: G 74 GLU cc_start: 0.9420 (mp0) cc_final: 0.9124 (mp0) REVERT: G 112 ASN cc_start: 0.7205 (m110) cc_final: 0.6879 (m-40) REVERT: G 230 ILE cc_start: 0.9169 (mt) cc_final: 0.8950 (mt) REVERT: G 259 LYS cc_start: 0.9053 (tttt) cc_final: 0.8529 (tppt) REVERT: G 262 ASN cc_start: 0.9033 (m-40) cc_final: 0.8648 (t0) REVERT: G 263 GLN cc_start: 0.9314 (mt0) cc_final: 0.9003 (mt0) REVERT: G 265 LYS cc_start: 0.9174 (mtpt) cc_final: 0.8756 (mmmt) REVERT: G 266 LEU cc_start: 0.8612 (mt) cc_final: 0.8201 (mt) REVERT: G 292 MET cc_start: 0.4168 (tpp) cc_final: 0.3340 (tmm) REVERT: G 371 MET cc_start: 0.8671 (ptm) cc_final: 0.8303 (tmm) REVERT: G 406 PHE cc_start: 0.8939 (t80) cc_final: 0.8601 (t80) REVERT: G 409 GLU cc_start: 0.9132 (mt-10) cc_final: 0.8823 (mt-10) REVERT: G 413 LYS cc_start: 0.9682 (mttt) cc_final: 0.9294 (mtpt) REVERT: G 416 GLU cc_start: 0.8957 (tp30) cc_final: 0.8665 (tp30) REVERT: G 442 ASN cc_start: 0.8385 (m110) cc_final: 0.8075 (m110) REVERT: G 443 ASN cc_start: 0.9206 (m-40) cc_final: 0.8251 (p0) REVERT: G 444 ILE cc_start: 0.9514 (mt) cc_final: 0.9277 (mt) REVERT: G 449 HIS cc_start: 0.8497 (t70) cc_final: 0.7703 (t70) REVERT: G 466 ARG cc_start: 0.8483 (mtt180) cc_final: 0.8093 (mtm180) REVERT: G 469 MET cc_start: 0.8516 (mmp) cc_final: 0.8066 (mmp) REVERT: G 480 TYR cc_start: 0.8443 (m-80) cc_final: 0.8139 (m-80) REVERT: G 481 ILE cc_start: 0.7202 (mm) cc_final: 0.6954 (mm) REVERT: G 507 GLU cc_start: 0.8826 (mt-10) cc_final: 0.8463 (mt-10) REVERT: H 74 GLU cc_start: 0.9091 (mt-10) cc_final: 0.8885 (pt0) REVERT: H 81 ASN cc_start: 0.8952 (m-40) cc_final: 0.8561 (t0) REVERT: H 98 ASP cc_start: 0.9390 (m-30) cc_final: 0.9081 (p0) REVERT: H 102 TYR cc_start: 0.7413 (m-10) cc_final: 0.6964 (m-80) REVERT: H 103 GLU cc_start: 0.8037 (mt-10) cc_final: 0.6995 (mp0) REVERT: H 113 LEU cc_start: 0.7969 (mp) cc_final: 0.7490 (pp) REVERT: H 126 MET cc_start: 0.9178 (ptp) cc_final: 0.8725 (ptt) REVERT: H 135 ASN cc_start: 0.8657 (t0) cc_final: 0.8411 (m-40) REVERT: H 146 HIS cc_start: 0.8727 (m-70) cc_final: 0.8299 (m-70) REVERT: H 159 HIS cc_start: 0.9321 (t-90) cc_final: 0.9036 (t-90) REVERT: H 174 LEU cc_start: 0.8530 (mp) cc_final: 0.8272 (mp) REVERT: H 212 HIS cc_start: 0.7851 (m-70) cc_final: 0.7568 (m-70) REVERT: H 263 GLN cc_start: 0.8800 (mt0) cc_final: 0.8495 (mt0) REVERT: H 274 TYR cc_start: 0.7554 (t80) cc_final: 0.7297 (t80) REVERT: H 275 ARG cc_start: 0.9429 (tpt-90) cc_final: 0.9061 (ttt-90) REVERT: H 292 MET cc_start: 0.6339 (mtt) cc_final: 0.6110 (ptp) REVERT: H 308 MET cc_start: 0.2700 (mmt) cc_final: 0.2176 (mmt) REVERT: H 321 ILE cc_start: 0.8462 (mm) cc_final: 0.8230 (mm) REVERT: H 363 ARG cc_start: 0.9096 (mtp180) cc_final: 0.8526 (ttm110) REVERT: H 365 PHE cc_start: 0.9361 (m-80) cc_final: 0.8752 (m-80) REVERT: H 403 PHE cc_start: 0.9255 (t80) cc_final: 0.8860 (t80) REVERT: H 407 ILE cc_start: 0.9546 (mm) cc_final: 0.8778 (mm) REVERT: H 409 GLU cc_start: 0.9528 (mt-10) cc_final: 0.9249 (mt-10) REVERT: H 411 GLN cc_start: 0.8013 (tt0) cc_final: 0.7795 (tt0) REVERT: H 413 LYS cc_start: 0.9166 (mmtt) cc_final: 0.8630 (mmtt) REVERT: H 414 PHE cc_start: 0.9223 (t80) cc_final: 0.8641 (t80) REVERT: H 419 LEU cc_start: 0.9570 (mm) cc_final: 0.9355 (mm) REVERT: H 429 LYS cc_start: 0.9388 (tmmt) cc_final: 0.9148 (ptpp) REVERT: H 431 ILE cc_start: 0.7393 (mt) cc_final: 0.6765 (mt) REVERT: H 449 HIS cc_start: 0.7190 (t70) cc_final: 0.6056 (t70) REVERT: H 459 GLU cc_start: 0.9162 (mt-10) cc_final: 0.8854 (mt-10) REVERT: H 469 MET cc_start: 0.9520 (mtm) cc_final: 0.9316 (mtm) REVERT: H 487 MET cc_start: 0.9005 (mtt) cc_final: 0.8660 (mtp) REVERT: H 500 GLN cc_start: 0.9526 (tp40) cc_final: 0.9157 (tp-100) REVERT: H 508 GLU cc_start: 0.7963 (mt-10) cc_final: 0.7761 (mt-10) REVERT: I 126 MET cc_start: 0.8978 (mtm) cc_final: 0.8633 (mtm) REVERT: I 175 ARG cc_start: 0.8108 (mmp80) cc_final: 0.7596 (tpp80) REVERT: I 180 ARG cc_start: 0.9093 (mpp80) cc_final: 0.8798 (mtm-85) REVERT: I 184 TYR cc_start: 0.7092 (t80) cc_final: 0.6428 (t80) REVERT: I 203 LYS cc_start: 0.8366 (ttpt) cc_final: 0.8032 (mttt) REVERT: I 204 GLU cc_start: 0.7343 (mt-10) cc_final: 0.6868 (tt0) REVERT: I 267 LEU cc_start: 0.8574 (mt) cc_final: 0.8275 (mt) REVERT: I 333 ASP cc_start: 0.6513 (t0) cc_final: 0.5380 (t0) REVERT: I 367 GLN cc_start: 0.8833 (tm-30) cc_final: 0.8553 (tm-30) REVERT: I 371 MET cc_start: 0.8574 (mtp) cc_final: 0.8270 (ptt) REVERT: I 409 GLU cc_start: 0.9140 (tp30) cc_final: 0.8413 (tm-30) REVERT: I 466 ARG cc_start: 0.8865 (mtt180) cc_final: 0.8653 (mtt-85) REVERT: I 472 MET cc_start: 0.8718 (mmp) cc_final: 0.8397 (mmp) REVERT: I 481 ILE cc_start: 0.9179 (mm) cc_final: 0.8747 (tp) REVERT: I 501 GLU cc_start: 0.9556 (mm-30) cc_final: 0.9089 (pp20) REVERT: I 504 GLN cc_start: 0.9399 (tp-100) cc_final: 0.8965 (tp40) REVERT: J 12 TRP cc_start: 0.8487 (m-90) cc_final: 0.8262 (m-90) REVERT: J 31 ILE cc_start: 0.8361 (tt) cc_final: 0.7992 (mp) REVERT: J 69 MET cc_start: 0.8156 (ptp) cc_final: 0.7738 (pmm) REVERT: J 94 GLU cc_start: 0.9484 (tt0) cc_final: 0.9104 (tt0) REVERT: J 98 ASP cc_start: 0.8711 (m-30) cc_final: 0.8325 (m-30) REVERT: J 113 LEU cc_start: 0.8524 (mt) cc_final: 0.8275 (mt) REVERT: J 126 MET cc_start: 0.8779 (mtt) cc_final: 0.8123 (mtt) REVERT: J 158 PHE cc_start: 0.9310 (m-80) cc_final: 0.8966 (m-80) REVERT: J 183 GLN cc_start: 0.9512 (mp10) cc_final: 0.9158 (mp10) REVERT: J 205 TYR cc_start: 0.8811 (p90) cc_final: 0.8207 (p90) REVERT: J 251 ILE cc_start: 0.8546 (mm) cc_final: 0.8007 (mm) REVERT: J 305 MET cc_start: 0.4649 (mmt) cc_final: 0.3780 (mtt) REVERT: J 359 MET cc_start: 0.8431 (pmm) cc_final: 0.6906 (ttt) REVERT: J 371 MET cc_start: 0.9132 (mtp) cc_final: 0.8853 (mtm) REVERT: J 396 ILE cc_start: 0.7719 (mm) cc_final: 0.6953 (mm) REVERT: J 420 ASP cc_start: 0.8314 (m-30) cc_final: 0.8055 (m-30) REVERT: J 434 GLU cc_start: 0.9070 (tt0) cc_final: 0.8662 (tm-30) REVERT: J 445 LYS cc_start: 0.8320 (tmtt) cc_final: 0.7826 (tptp) REVERT: J 448 PHE cc_start: 0.6102 (m-10) cc_final: 0.5831 (m-10) REVERT: J 451 ASP cc_start: 0.8943 (t0) cc_final: 0.8470 (t0) REVERT: J 457 LEU cc_start: 0.8863 (tt) cc_final: 0.8485 (tt) REVERT: J 458 LYS cc_start: 0.8201 (ttpt) cc_final: 0.7901 (ttpt) REVERT: J 461 GLU cc_start: 0.9167 (mt-10) cc_final: 0.8774 (mt-10) REVERT: J 489 ASP cc_start: 0.8923 (m-30) cc_final: 0.8663 (m-30) REVERT: J 493 MET cc_start: 0.8826 (mmp) cc_final: 0.7775 (mmm) REVERT: K 31 ILE cc_start: 0.6959 (mp) cc_final: 0.6038 (tp) REVERT: K 86 TYR cc_start: 0.6595 (t80) cc_final: 0.5299 (t80) REVERT: K 87 GLU cc_start: 0.8745 (mm-30) cc_final: 0.7744 (mm-30) REVERT: K 114 ASP cc_start: 0.9062 (p0) cc_final: 0.8790 (p0) REVERT: K 122 ILE cc_start: 0.8554 (mt) cc_final: 0.8352 (mt) REVERT: K 125 MET cc_start: 0.8715 (mmp) cc_final: 0.8007 (mpp) REVERT: K 126 MET cc_start: 0.9380 (mtp) cc_final: 0.9077 (mtp) REVERT: K 158 PHE cc_start: 0.9203 (m-80) cc_final: 0.8874 (m-10) REVERT: K 246 CYS cc_start: 0.7319 (m) cc_final: 0.7110 (m) REVERT: K 301 MET cc_start: 0.1110 (mmm) cc_final: 0.0761 (mmt) REVERT: K 305 MET cc_start: 0.4842 (ttm) cc_final: 0.4408 (ptt) REVERT: K 359 MET cc_start: 0.8989 (ptt) cc_final: 0.8508 (ptt) REVERT: K 360 GLU cc_start: 0.9195 (mm-30) cc_final: 0.8868 (mp0) REVERT: K 379 ARG cc_start: 0.8512 (mmp80) cc_final: 0.7836 (mmm-85) REVERT: K 396 ILE cc_start: 0.8682 (tt) cc_final: 0.8284 (tt) REVERT: K 400 GLU cc_start: 0.8256 (mp0) cc_final: 0.7804 (mp0) REVERT: K 401 LEU cc_start: 0.9270 (mt) cc_final: 0.8909 (mt) REVERT: K 408 ARG cc_start: 0.9487 (mmm160) cc_final: 0.9191 (tpt-90) REVERT: K 410 LEU cc_start: 0.9668 (mt) cc_final: 0.9442 (mt) REVERT: K 411 GLN cc_start: 0.9048 (mt0) cc_final: 0.8428 (mm-40) REVERT: K 419 LEU cc_start: 0.9218 (mt) cc_final: 0.8997 (mt) REVERT: K 420 ASP cc_start: 0.9565 (t0) cc_final: 0.9034 (t0) REVERT: K 423 LYS cc_start: 0.8634 (ptpp) cc_final: 0.8238 (tttp) REVERT: K 448 PHE cc_start: 0.8386 (m-10) cc_final: 0.7860 (m-10) REVERT: K 453 TYR cc_start: 0.7739 (t80) cc_final: 0.7466 (t80) REVERT: K 457 LEU cc_start: 0.9040 (mt) cc_final: 0.8747 (mt) REVERT: K 461 GLU cc_start: 0.8757 (mt-10) cc_final: 0.8460 (mt-10) REVERT: K 465 ARG cc_start: 0.9007 (tpm170) cc_final: 0.8252 (tpp-160) REVERT: K 472 MET cc_start: 0.9316 (mtm) cc_final: 0.8453 (mtp) REVERT: K 485 THR cc_start: 0.9187 (p) cc_final: 0.8915 (p) REVERT: K 488 LYS cc_start: 0.8231 (pttp) cc_final: 0.7937 (pttp) REVERT: K 501 GLU cc_start: 0.9105 (mm-30) cc_final: 0.8620 (mm-30) REVERT: K 503 LYS cc_start: 0.8825 (mmpt) cc_final: 0.8506 (mmmm) REVERT: L 17 GLU cc_start: 0.8649 (mt-10) cc_final: 0.8396 (pt0) REVERT: L 21 LYS cc_start: 0.8390 (mttt) cc_final: 0.8042 (mmtt) REVERT: L 24 GLU cc_start: 0.8536 (tt0) cc_final: 0.7807 (mt-10) REVERT: L 85 ASN cc_start: 0.9093 (m-40) cc_final: 0.8866 (m-40) REVERT: L 111 LEU cc_start: 0.9458 (tp) cc_final: 0.9230 (pt) REVERT: L 112 ASN cc_start: 0.8280 (m110) cc_final: 0.7784 (m110) REVERT: L 127 LEU cc_start: 0.9434 (mt) cc_final: 0.9181 (mt) REVERT: L 202 TYR cc_start: 0.7308 (m-80) cc_final: 0.6974 (m-80) REVERT: L 221 MET cc_start: 0.7304 (mtp) cc_final: 0.7097 (mtp) REVERT: L 259 LYS cc_start: 0.8639 (mttt) cc_final: 0.8414 (ttmt) REVERT: L 265 LYS cc_start: 0.8124 (mmmt) cc_final: 0.7913 (mmmt) REVERT: L 268 GLU cc_start: 0.9238 (tt0) cc_final: 0.8498 (tm-30) REVERT: L 292 MET cc_start: 0.7227 (tpp) cc_final: 0.6819 (ttp) REVERT: L 363 ARG cc_start: 0.8653 (mtt180) cc_final: 0.8183 (ttm110) REVERT: L 401 LEU cc_start: 0.9683 (mt) cc_final: 0.9377 (mt) REVERT: L 415 GLU cc_start: 0.8793 (tt0) cc_final: 0.8516 (mt-10) REVERT: L 420 ASP cc_start: 0.9043 (t0) cc_final: 0.8742 (t0) REVERT: L 468 ASN cc_start: 0.9674 (m110) cc_final: 0.9464 (m110) REVERT: L 487 MET cc_start: 0.8595 (mmt) cc_final: 0.8294 (mmt) REVERT: M 12 TRP cc_start: 0.7683 (m-90) cc_final: 0.6340 (m-90) REVERT: M 35 LYS cc_start: 0.7712 (ttpp) cc_final: 0.7425 (ttpp) REVERT: M 41 ARG cc_start: 0.9030 (ptp90) cc_final: 0.8475 (ptp90) REVERT: M 45 VAL cc_start: 0.7829 (t) cc_final: 0.7165 (t) REVERT: M 74 GLU cc_start: 0.9222 (mt-10) cc_final: 0.8918 (mt-10) REVERT: M 81 ASN cc_start: 0.9171 (m110) cc_final: 0.8929 (m-40) REVERT: M 111 LEU cc_start: 0.8464 (tp) cc_final: 0.8086 (tp) REVERT: M 137 LEU cc_start: 0.9557 (mt) cc_final: 0.9281 (mt) REVERT: M 146 HIS cc_start: 0.9247 (m-70) cc_final: 0.8715 (m-70) REVERT: M 207 ILE cc_start: 0.8732 (mm) cc_final: 0.8408 (mm) REVERT: M 239 HIS cc_start: 0.8253 (p-80) cc_final: 0.7805 (p-80) REVERT: M 328 MET cc_start: 0.6077 (tpt) cc_final: 0.5798 (mmm) REVERT: M 350 LEU cc_start: 0.8096 (mt) cc_final: 0.7868 (mt) REVERT: M 362 ILE cc_start: 0.8949 (pt) cc_final: 0.8748 (pt) REVERT: M 366 ARG cc_start: 0.8687 (ttp-170) cc_final: 0.8349 (ptm-80) REVERT: M 367 GLN cc_start: 0.8516 (tt0) cc_final: 0.8192 (tt0) REVERT: M 371 MET cc_start: 0.9353 (mtp) cc_final: 0.8853 (mtp) REVERT: M 373 LEU cc_start: 0.9493 (mt) cc_final: 0.9264 (mt) REVERT: M 406 PHE cc_start: 0.9485 (t80) cc_final: 0.9136 (t80) REVERT: M 420 ASP cc_start: 0.9452 (t70) cc_final: 0.9172 (t0) REVERT: M 457 LEU cc_start: 0.9414 (mt) cc_final: 0.9147 (mt) REVERT: M 469 MET cc_start: 0.9559 (mmm) cc_final: 0.9311 (tpt) REVERT: M 472 MET cc_start: 0.8198 (mtp) cc_final: 0.7669 (mtm) REVERT: M 496 GLU cc_start: 0.8805 (pp20) cc_final: 0.8405 (tm-30) REVERT: M 504 GLN cc_start: 0.8541 (tp40) cc_final: 0.8048 (tp40) REVERT: M 507 GLU cc_start: 0.9348 (mt-10) cc_final: 0.8945 (mm-30) REVERT: N 24 GLU cc_start: 0.9334 (pt0) cc_final: 0.9127 (pt0) REVERT: N 69 MET cc_start: 0.8672 (mmp) cc_final: 0.7911 (mmm) REVERT: N 147 PHE cc_start: 0.8963 (t80) cc_final: 0.8241 (t80) REVERT: N 149 ARG cc_start: 0.9162 (mtt180) cc_final: 0.8721 (mtt180) REVERT: N 150 TRP cc_start: 0.8974 (t60) cc_final: 0.7706 (t60) REVERT: N 180 ARG cc_start: 0.7574 (mtt90) cc_final: 0.6596 (mtt90) REVERT: N 183 GLN cc_start: 0.7959 (tp-100) cc_final: 0.7624 (tp-100) REVERT: N 207 ILE cc_start: 0.8696 (tp) cc_final: 0.8440 (tp) REVERT: N 221 MET cc_start: 0.4033 (mmt) cc_final: 0.3151 (mmt) REVERT: N 265 LYS cc_start: 0.8731 (tttt) cc_final: 0.8504 (tptt) REVERT: N 301 MET cc_start: 0.4640 (mmt) cc_final: 0.4391 (mmt) REVERT: N 366 ARG cc_start: 0.8882 (mtp-110) cc_final: 0.8569 (mtp85) REVERT: N 400 GLU cc_start: 0.9221 (mm-30) cc_final: 0.8817 (mm-30) REVERT: N 403 PHE cc_start: 0.9146 (t80) cc_final: 0.8662 (t80) REVERT: N 410 LEU cc_start: 0.8957 (mt) cc_final: 0.8635 (mt) REVERT: N 414 PHE cc_start: 0.9202 (t80) cc_final: 0.7276 (t80) REVERT: N 432 ILE cc_start: 0.9060 (mp) cc_final: 0.8767 (tp) REVERT: N 442 ASN cc_start: 0.7704 (m-40) cc_final: 0.7496 (m-40) REVERT: N 459 GLU cc_start: 0.9397 (mm-30) cc_final: 0.9194 (mm-30) REVERT: N 464 GLU cc_start: 0.9323 (tt0) cc_final: 0.9045 (tt0) REVERT: N 469 MET cc_start: 0.9279 (ttp) cc_final: 0.8977 (ttp) REVERT: N 507 GLU cc_start: 0.9109 (tt0) cc_final: 0.8530 (tm-30) REVERT: O 15 MET cc_start: 0.7449 (mtp) cc_final: 0.7147 (mtm) REVERT: O 69 MET cc_start: 0.8979 (tmm) cc_final: 0.8693 (tpp) REVERT: O 73 ARG cc_start: 0.8731 (ppt170) cc_final: 0.8498 (ttp80) REVERT: O 79 TYR cc_start: 0.8968 (m-80) cc_final: 0.8560 (m-80) REVERT: O 83 MET cc_start: 0.8498 (ttp) cc_final: 0.7646 (tpp) REVERT: O 88 VAL cc_start: 0.9448 (t) cc_final: 0.9191 (t) REVERT: O 161 ILE cc_start: 0.8574 (mm) cc_final: 0.8283 (mm) REVERT: O 172 LYS cc_start: 0.6557 (mmtt) cc_final: 0.6339 (mttt) REVERT: O 274 TYR cc_start: 0.9256 (t80) cc_final: 0.8531 (t80) REVERT: O 292 MET cc_start: 0.6394 (mtt) cc_final: 0.5198 (ttm) REVERT: O 328 MET cc_start: 0.6329 (tpt) cc_final: 0.5943 (tpt) REVERT: O 334 TYR cc_start: 0.7402 (m-80) cc_final: 0.6090 (m-80) REVERT: O 350 LEU cc_start: 0.6867 (tt) cc_final: 0.6588 (tt) REVERT: O 367 GLN cc_start: 0.9330 (mt0) cc_final: 0.8972 (mt0) REVERT: O 371 MET cc_start: 0.8914 (mtm) cc_final: 0.8501 (mmm) REVERT: O 416 GLU cc_start: 0.8189 (mm-30) cc_final: 0.7528 (tt0) REVERT: O 420 ASP cc_start: 0.9528 (t0) cc_final: 0.9230 (t0) REVERT: O 469 MET cc_start: 0.9414 (mmp) cc_final: 0.9019 (ttm) REVERT: O 487 MET cc_start: 0.8193 (mpp) cc_final: 0.7868 (mmt) REVERT: O 490 ILE cc_start: 0.9462 (mp) cc_final: 0.8982 (mp) REVERT: O 500 GLN cc_start: 0.9355 (mm-40) cc_final: 0.8989 (mm-40) REVERT: O 503 LYS cc_start: 0.8981 (tttp) cc_final: 0.8687 (pttp) REVERT: P 47 SER cc_start: 0.7714 (t) cc_final: 0.7254 (m) REVERT: P 73 ARG cc_start: 0.8046 (tpt170) cc_final: 0.7656 (tpt90) REVERT: P 80 ARG cc_start: 0.8962 (mmt90) cc_final: 0.8723 (mtp180) REVERT: P 105 ASP cc_start: 0.8937 (m-30) cc_final: 0.8613 (t70) REVERT: P 118 PHE cc_start: 0.7969 (t80) cc_final: 0.7605 (t80) REVERT: P 125 MET cc_start: 0.9063 (mtm) cc_final: 0.8779 (ptp) REVERT: P 132 ASP cc_start: 0.8793 (t0) cc_final: 0.8295 (m-30) REVERT: P 153 ASP cc_start: 0.8572 (m-30) cc_final: 0.8311 (m-30) REVERT: P 156 ILE cc_start: 0.8308 (tt) cc_final: 0.8079 (tt) REVERT: P 158 PHE cc_start: 0.9247 (m-80) cc_final: 0.8905 (m-80) REVERT: P 159 HIS cc_start: 0.7115 (t-90) cc_final: 0.6795 (t-90) REVERT: P 178 ASP cc_start: 0.8668 (t70) cc_final: 0.8388 (t70) REVERT: P 183 GLN cc_start: 0.7901 (tp40) cc_final: 0.7648 (mm-40) REVERT: P 212 HIS cc_start: 0.6366 (p-80) cc_final: 0.6063 (p-80) REVERT: P 243 VAL cc_start: 0.7441 (p) cc_final: 0.7041 (t) REVERT: P 255 HIS cc_start: 0.9170 (t70) cc_final: 0.8739 (t70) REVERT: P 263 GLN cc_start: 0.9488 (tt0) cc_final: 0.9204 (tt0) REVERT: P 330 MET cc_start: 0.6797 (tmm) cc_final: 0.6586 (tmm) REVERT: P 358 ASN cc_start: 0.8760 (m-40) cc_final: 0.7592 (t0) REVERT: P 359 MET cc_start: 0.8973 (mpp) cc_final: 0.8227 (mpp) REVERT: P 361 ASP cc_start: 0.9178 (m-30) cc_final: 0.8903 (m-30) REVERT: P 365 PHE cc_start: 0.9543 (m-80) cc_final: 0.9157 (m-80) REVERT: P 396 ILE cc_start: 0.8284 (tt) cc_final: 0.7864 (tt) REVERT: P 400 GLU cc_start: 0.8865 (mm-30) cc_final: 0.8600 (mm-30) REVERT: P 436 GLU cc_start: 0.8526 (mt-10) cc_final: 0.7930 (tp30) REVERT: P 443 ASN cc_start: 0.9515 (t0) cc_final: 0.9189 (t0) REVERT: P 449 HIS cc_start: 0.7792 (t-90) cc_final: 0.7448 (t-90) REVERT: P 461 GLU cc_start: 0.8235 (mt-10) cc_final: 0.7739 (mt-10) REVERT: P 469 MET cc_start: 0.9302 (tpt) cc_final: 0.8921 (tpt) REVERT: P 472 MET cc_start: 0.9114 (mtm) cc_final: 0.8767 (ptp) REVERT: P 479 LYS cc_start: 0.8747 (tttt) cc_final: 0.8139 (tttm) REVERT: P 498 ILE cc_start: 0.8516 (mt) cc_final: 0.8220 (mt) REVERT: P 501 GLU cc_start: 0.9488 (mm-30) cc_final: 0.9101 (mm-30) REVERT: P 505 ILE cc_start: 0.7363 (mt) cc_final: 0.6791 (mt) outliers start: 4 outliers final: 1 residues processed: 6978 average time/residue: 1.0211 time to fit residues: 12536.6926 Evaluate side-chains 6035 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 1 poor density : 6034 time to evaluate : 9.990 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 1725 optimal weight: 1.9990 chunk 1137 optimal weight: 0.7980 chunk 1831 optimal weight: 2.9990 chunk 1117 optimal weight: 10.0000 chunk 868 optimal weight: 4.9990 chunk 1272 optimal weight: 0.9980 chunk 1920 optimal weight: 0.6980 chunk 1767 optimal weight: 3.9990 chunk 1529 optimal weight: 0.0470 chunk 158 optimal weight: 2.9990 chunk 1181 optimal weight: 6.9990 overall best weight: 0.9080 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** a 315 GLN ** a 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** c 215 GLN ** c 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** d 195 GLN ** d 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** d 303 ASN ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 72 HIS ** f 105 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 303 ASN ** g 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** h 191 GLN ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 72 HIS ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** j 482 ASN ** k 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 240 ASN ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 180 HIS ** l 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** l 303 ASN ** l 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 105 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** m 381 ASN n 145 HIS n 427 GLN n 505 ASN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** o 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** o 381 ASN ** p 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 468 GLN ** p 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 510 ASN ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN q 381 ASN ** q 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 105 ASN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 303 ASN s 356 GLN s 381 ASN ** s 468 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 490 GLN ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 303 ASN ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 505 ASN ** u 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** x 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 303 ASN ** y 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** y 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 248 ASN ** y 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN ** y 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN ** z 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 78 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** A 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** B 72 HIS B 195 GLN B 240 ASN B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** C 240 ASN ** C 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 427 GLN D 240 ASN ** D 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** D 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** D 356 GLN ** D 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 442 ASN ** E 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** F 492 GLN ** F 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 90 ASN H 183 GLN ** I 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** J 483 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** K 183 GLN ** K 326 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** L 249 ASN ** L 255 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** L 358 ASN M 159 HIS ** M 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 438 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** N 355 ASN ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** P 124 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 50 ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7214 moved from start: 0.7010 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.080 153284 Z= 0.214 Angle : 0.703 16.945 207272 Z= 0.377 Chirality : 0.048 0.316 22633 Planarity : 0.005 0.097 27252 Dihedral : 5.477 41.910 21163 Min Nonbonded Distance : 2.046 Molprobity Statistics. All-atom Clashscore : 22.51 Ramachandran Plot: Outliers : 0.11 % Allowed : 8.58 % Favored : 91.31 % Rotamer: Outliers : 0.03 % Allowed : 0.26 % Favored : 99.71 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.25 % Twisted Proline : 0.13 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.28 (0.06), residues: 19365 helix: 0.70 (0.07), residues: 6076 sheet: -1.38 (0.09), residues: 3133 loop : -1.66 (0.06), residues: 10156 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.058 0.003 TRP z 247 HIS 0.014 0.002 HIS I 255 PHE 0.049 0.002 PHE k 154 TYR 0.060 0.002 TYR F 184 ARG 0.013 0.001 ARG r 380 ********************** REFINEMENT MACRO_CYCLE 10 OF 10 ************************ ------------------------------------------------------------------------------- Update Rama plot phi/psi targets (oldfield only) ************************************************ 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Re-set Ramachandran plot restraints *********************************** favored: oldfield allowed: oldfield outlier: oldfield 38730 Ramachandran restraints generated. 19365 Oldfield, 0 Emsley, 19365 emsley8k and 0 Phi/Psi/2. ------------------------------------------------------------------------------- Optimize residue side-chains **************************** Evaluate side-chains 6990 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 5 poor density : 6985 time to evaluate : 10.266 Fit side-chains revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash 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revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash revert: symmetry clash REVERT: a 72 HIS cc_start: 0.7813 (m-70) cc_final: 0.7047 (m170) REVERT: a 79 ILE cc_start: 0.7926 (mt) cc_final: 0.7703 (mt) REVERT: a 83 GLN cc_start: 0.8634 (tp40) cc_final: 0.8051 (tm-30) REVERT: a 99 VAL cc_start: 0.8771 (t) cc_final: 0.8430 (t) REVERT: a 124 VAL cc_start: 0.8707 (p) cc_final: 0.8279 (m) REVERT: a 142 GLU cc_start: 0.8768 (pt0) cc_final: 0.8111 (pt0) REVERT: a 145 HIS cc_start: 0.8727 (t-90) cc_final: 0.7577 (t-90) REVERT: a 147 MET cc_start: 0.8102 (mmm) cc_final: 0.7706 (mmt) REVERT: a 151 ASP cc_start: 0.8737 (t0) cc_final: 0.8528 (t0) REVERT: a 154 PHE cc_start: 0.8801 (t80) cc_final: 0.8435 (t80) REVERT: a 199 ASP cc_start: 0.8747 (t70) cc_final: 0.8364 (t0) REVERT: a 212 ILE cc_start: 0.9714 (mt) cc_final: 0.9306 (mt) REVERT: a 215 GLN cc_start: 0.9289 (mp10) cc_final: 0.8923 (mp10) REVERT: a 250 MET cc_start: 0.8662 (ptp) cc_final: 0.8372 (ptp) REVERT: a 289 GLU cc_start: 0.9215 (tm-30) cc_final: 0.8939 (tm-30) REVERT: a 294 LEU cc_start: 0.9434 (mt) cc_final: 0.9143 (mt) REVERT: a 301 GLU cc_start: 0.9457 (tt0) cc_final: 0.8977 (tt0) REVERT: a 334 PHE cc_start: 0.9223 (m-80) cc_final: 0.8961 (m-10) REVERT: a 336 ASP cc_start: 0.8171 (t0) cc_final: 0.7723 (t0) REVERT: a 345 TRP cc_start: 0.9002 (p-90) cc_final: 0.8075 (p-90) REVERT: a 350 PHE cc_start: 0.9480 (m-80) cc_final: 0.9123 (m-80) REVERT: a 363 GLU cc_start: 0.9284 (tp30) cc_final: 0.8438 (tp30) REVERT: a 384 ASN cc_start: 0.9299 (m-40) cc_final: 0.8981 (m-40) REVERT: a 404 PHE cc_start: 0.8384 (m-80) cc_final: 0.7728 (m-80) REVERT: a 430 LYS cc_start: 0.9206 (mmpt) cc_final: 0.8795 (mmpt) REVERT: a 432 ASP cc_start: 0.8544 (t70) cc_final: 0.7971 (t70) REVERT: a 442 ASN cc_start: 0.8815 (t0) cc_final: 0.8544 (t0) REVERT: a 471 MET cc_start: 0.8202 (ppp) cc_final: 0.7929 (ppp) REVERT: a 490 GLN cc_start: 0.8593 (mm-40) cc_final: 0.7548 (mm-40) REVERT: a 507 LEU cc_start: 0.9367 (tt) cc_final: 0.9032 (tt) REVERT: a 513 PHE cc_start: 0.9230 (m-80) cc_final: 0.8638 (m-80) REVERT: a 516 VAL cc_start: 0.9526 (t) cc_final: 0.9309 (t) REVERT: b 133 LYS cc_start: 0.8178 (mtpp) cc_final: 0.7477 (tptt) REVERT: b 147 MET cc_start: 0.7936 (mtm) cc_final: 0.7496 (mtm) REVERT: b 153 MET cc_start: 0.8684 (mpp) cc_final: 0.8290 (mpp) REVERT: b 176 ASP cc_start: 0.8935 (t70) cc_final: 0.8558 (t0) REVERT: b 177 ILE cc_start: 0.9374 (mm) cc_final: 0.9037 (tp) REVERT: b 199 ASP cc_start: 0.8923 (t0) cc_final: 0.8668 (t0) REVERT: b 207 LYS cc_start: 0.9049 (mttt) cc_final: 0.8837 (mtmt) REVERT: b 209 ASP cc_start: 0.8925 (m-30) cc_final: 0.8695 (m-30) REVERT: b 221 LEU cc_start: 0.9509 (mt) cc_final: 0.9254 (mt) REVERT: b 247 TRP cc_start: 0.7805 (m100) cc_final: 0.6193 (m100) REVERT: b 252 PHE cc_start: 0.8749 (p90) cc_final: 0.8374 (p90) REVERT: b 257 GLN cc_start: 0.9104 (pt0) cc_final: 0.8003 (pm20) REVERT: b 285 ASP cc_start: 0.7034 (m-30) cc_final: 0.6639 (p0) REVERT: b 299 MET cc_start: 0.9113 (mtp) cc_final: 0.8887 (mtp) REVERT: b 304 ARG cc_start: 0.8997 (mmm160) cc_final: 0.8753 (mmm-85) REVERT: b 311 ASN cc_start: 0.9319 (m-40) cc_final: 0.8997 (m-40) REVERT: b 334 PHE cc_start: 0.7749 (m-80) cc_final: 0.7473 (m-80) REVERT: b 348 GLU cc_start: 0.9085 (mp0) cc_final: 0.8793 (mp0) REVERT: b 350 PHE cc_start: 0.9607 (m-10) cc_final: 0.9161 (m-10) REVERT: b 351 LYS cc_start: 0.9556 (mtmm) cc_final: 0.9085 (mtmm) REVERT: b 374 ASN cc_start: 0.9145 (p0) cc_final: 0.8919 (p0) REVERT: b 375 PHE cc_start: 0.9279 (p90) cc_final: 0.9060 (p90) REVERT: b 380 ARG cc_start: 0.8362 (mtt90) cc_final: 0.7903 (mtt90) REVERT: b 390 ASP cc_start: 0.8677 (t70) cc_final: 0.8447 (t70) REVERT: b 404 PHE cc_start: 0.8363 (m-80) cc_final: 0.7838 (m-80) REVERT: b 426 ASP cc_start: 0.8849 (t0) cc_final: 0.8239 (t0) REVERT: b 427 GLN cc_start: 0.9135 (pt0) cc_final: 0.8757 (pt0) REVERT: b 428 TYR cc_start: 0.9332 (m-80) cc_final: 0.8448 (m-80) REVERT: b 442 ASN cc_start: 0.8630 (t0) cc_final: 0.8310 (t0) REVERT: b 483 PRO cc_start: 0.9548 (Cg_exo) cc_final: 0.8707 (Cg_endo) REVERT: b 484 PHE cc_start: 0.8745 (m-80) cc_final: 0.7950 (m-80) REVERT: b 486 GLU cc_start: 0.9148 (pm20) cc_final: 0.8479 (tm-30) REVERT: b 509 LYS cc_start: 0.9026 (mttt) cc_final: 0.8747 (mttm) REVERT: b 510 ASN cc_start: 0.9523 (t0) cc_final: 0.8800 (p0) REVERT: b 512 TYR cc_start: 0.9295 (m-80) cc_final: 0.8748 (m-80) REVERT: b 513 PHE cc_start: 0.9084 (m-80) cc_final: 0.8314 (m-80) REVERT: c 109 PHE cc_start: 0.7593 (m-80) cc_final: 0.7327 (m-10) REVERT: c 117 MET cc_start: 0.9272 (tpp) cc_final: 0.8694 (ttm) REVERT: c 144 PHE cc_start: 0.9147 (m-80) cc_final: 0.8596 (m-80) REVERT: c 166 LEU cc_start: 0.9230 (mt) cc_final: 0.8726 (mt) REVERT: c 180 HIS cc_start: 0.9096 (t70) cc_final: 0.8464 (t70) REVERT: c 212 ILE cc_start: 0.9770 (mt) cc_final: 0.9498 (mt) REVERT: c 228 MET cc_start: 0.9077 (ptm) cc_final: 0.8582 (ppp) REVERT: c 247 TRP cc_start: 0.7968 (m100) cc_final: 0.7674 (m100) REVERT: c 249 GLU cc_start: 0.7780 (pt0) cc_final: 0.7255 (pp20) REVERT: c 263 SER cc_start: 0.9357 (t) cc_final: 0.9005 (p) REVERT: c 289 GLU cc_start: 0.9619 (tp30) cc_final: 0.9343 (tm-30) REVERT: c 293 ILE cc_start: 0.9513 (mt) cc_final: 0.9139 (mt) REVERT: c 297 GLU cc_start: 0.9456 (tp30) cc_final: 0.8985 (tp30) REVERT: c 301 GLU cc_start: 0.9264 (pt0) cc_final: 0.9031 (pt0) REVERT: c 333 ASP cc_start: 0.8911 (t0) cc_final: 0.8637 (t0) REVERT: c 336 ASP cc_start: 0.8081 (t0) cc_final: 0.7629 (t0) REVERT: c 348 GLU cc_start: 0.9069 (mt-10) cc_final: 0.8658 (mp0) REVERT: c 351 LYS cc_start: 0.9745 (mttm) cc_final: 0.9477 (mttm) REVERT: c 363 GLU cc_start: 0.8708 (tp30) cc_final: 0.7721 (tp30) REVERT: c 367 GLN cc_start: 0.8105 (mm-40) cc_final: 0.7691 (mm110) REVERT: c 374 ASN cc_start: 0.8377 (p0) cc_final: 0.8096 (p0) REVERT: c 384 ASN cc_start: 0.9604 (m-40) cc_final: 0.9377 (m-40) REVERT: c 400 LEU cc_start: 0.9606 (mt) cc_final: 0.9274 (mt) REVERT: c 459 LEU cc_start: 0.7500 (mt) cc_final: 0.7220 (tp) REVERT: c 463 ASP cc_start: 0.8820 (t0) cc_final: 0.8541 (t0) REVERT: c 471 MET cc_start: 0.7275 (mmm) cc_final: 0.7038 (mmm) REVERT: c 477 TYR cc_start: 0.8632 (p90) cc_final: 0.8375 (p90) REVERT: c 479 ILE cc_start: 0.8486 (mt) cc_final: 0.6729 (mt) REVERT: d 96 MET cc_start: 0.8575 (tpp) cc_final: 0.7958 (tpp) REVERT: d 105 ASN cc_start: 0.8197 (m-40) cc_final: 0.7682 (m110) REVERT: d 189 TYR cc_start: 0.8653 (m-80) cc_final: 0.8184 (m-80) REVERT: d 216 MET cc_start: 0.9071 (mtp) cc_final: 0.8655 (mtt) REVERT: d 250 MET cc_start: 0.9079 (mpp) cc_final: 0.8694 (mpp) REVERT: d 252 PHE cc_start: 0.7371 (p90) cc_final: 0.6420 (p90) REVERT: d 279 ARG cc_start: 0.8251 (ttm-80) cc_final: 0.7975 (tpp80) REVERT: d 284 MET cc_start: 0.8544 (mmm) cc_final: 0.8105 (mmm) REVERT: d 304 ARG cc_start: 0.8980 (tpp-160) cc_final: 0.8776 (tpp-160) REVERT: d 305 GLU cc_start: 0.9168 (tt0) cc_final: 0.8882 (tt0) REVERT: d 318 LYS cc_start: 0.9486 (tptp) cc_final: 0.9087 (tttm) REVERT: d 322 THR cc_start: 0.8596 (p) cc_final: 0.8154 (p) REVERT: d 328 LYS cc_start: 0.8125 (mmpt) cc_final: 0.7768 (tptm) REVERT: d 332 PHE cc_start: 0.8966 (t80) cc_final: 0.8148 (t80) REVERT: d 333 ASP cc_start: 0.8032 (t0) cc_final: 0.7555 (t0) REVERT: d 334 PHE cc_start: 0.8389 (m-80) cc_final: 0.7445 (m-80) REVERT: d 336 ASP cc_start: 0.8873 (t0) cc_final: 0.8215 (t0) REVERT: d 351 LYS cc_start: 0.9519 (mtmm) cc_final: 0.9191 (mtmm) REVERT: d 360 GLU cc_start: 0.9555 (mm-30) cc_final: 0.8986 (mm-30) REVERT: d 363 GLU cc_start: 0.9274 (tp30) cc_final: 0.8674 (tp30) REVERT: d 384 ASN cc_start: 0.9035 (m-40) cc_final: 0.8786 (m-40) REVERT: d 390 ASP cc_start: 0.9038 (t0) cc_final: 0.8714 (t0) REVERT: d 391 THR cc_start: 0.9324 (p) cc_final: 0.8927 (t) REVERT: d 412 VAL cc_start: 0.9373 (m) cc_final: 0.9059 (p) REVERT: d 424 TYR cc_start: 0.8799 (m-80) cc_final: 0.7816 (m-10) REVERT: d 432 ASP cc_start: 0.8232 (p0) cc_final: 0.7747 (p0) REVERT: d 494 SER cc_start: 0.8533 (t) cc_final: 0.8308 (p) REVERT: d 513 PHE cc_start: 0.9528 (m-80) cc_final: 0.9241 (m-80) REVERT: d 515 ARG cc_start: 0.8739 (tmm160) cc_final: 0.8169 (tmm-80) REVERT: e 105 ASN cc_start: 0.9093 (t0) cc_final: 0.8666 (m110) REVERT: e 117 MET cc_start: 0.9478 (mmm) cc_final: 0.9203 (mmm) REVERT: e 145 HIS cc_start: 0.8676 (t-90) cc_final: 0.7711 (t-90) REVERT: e 147 MET cc_start: 0.8575 (mmt) cc_final: 0.7744 (mmm) REVERT: e 148 TYR cc_start: 0.8816 (m-80) cc_final: 0.8282 (m-80) REVERT: e 174 VAL cc_start: 0.8906 (m) cc_final: 0.8494 (p) REVERT: e 195 GLN cc_start: 0.8695 (pm20) cc_final: 0.8288 (mp10) REVERT: e 207 LYS cc_start: 0.9267 (mptt) cc_final: 0.8973 (mttm) REVERT: e 213 LYS cc_start: 0.9073 (pttt) cc_final: 0.8785 (pttt) REVERT: e 228 MET cc_start: 0.8607 (ttp) cc_final: 0.7691 (ttp) REVERT: e 252 PHE cc_start: 0.9358 (p90) cc_final: 0.9130 (p90) REVERT: e 257 GLN cc_start: 0.7933 (pt0) cc_final: 0.7479 (pt0) REVERT: e 260 GLU cc_start: 0.8943 (pp20) cc_final: 0.8565 (pm20) REVERT: e 266 LEU cc_start: 0.9719 (mt) cc_final: 0.9323 (mt) REVERT: e 303 ASN cc_start: 0.9227 (m-40) cc_final: 0.8800 (m-40) REVERT: e 309 TRP cc_start: 0.9075 (m100) cc_final: 0.8799 (m100) REVERT: e 315 GLN cc_start: 0.8227 (mm-40) cc_final: 0.7629 (mm110) REVERT: e 327 SER cc_start: 0.8331 (m) cc_final: 0.7959 (m) REVERT: e 344 ARG cc_start: 0.7972 (mmt180) cc_final: 0.7565 (mmt90) REVERT: e 359 LYS cc_start: 0.9407 (mtpt) cc_final: 0.9099 (mtpt) REVERT: e 362 VAL cc_start: 0.9298 (t) cc_final: 0.9039 (t) REVERT: e 390 ASP cc_start: 0.7862 (t70) cc_final: 0.7573 (t70) REVERT: e 391 THR cc_start: 0.9091 (p) cc_final: 0.8879 (p) REVERT: e 400 LEU cc_start: 0.9419 (mt) cc_final: 0.9134 (mt) REVERT: e 405 SER cc_start: 0.9073 (m) cc_final: 0.8548 (p) REVERT: e 442 ASN cc_start: 0.9319 (t0) cc_final: 0.9045 (t0) REVERT: e 450 TYR cc_start: 0.9032 (t80) cc_final: 0.8825 (t80) REVERT: e 453 TYR cc_start: 0.8132 (t80) cc_final: 0.7630 (t80) REVERT: e 463 ASP cc_start: 0.9260 (t0) cc_final: 0.8940 (t0) REVERT: e 471 MET cc_start: 0.6940 (tmm) cc_final: 0.6552 (tmm) REVERT: e 474 LYS cc_start: 0.9269 (mtpp) cc_final: 0.8928 (mtpt) REVERT: e 513 PHE cc_start: 0.9304 (m-80) cc_final: 0.8713 (m-80) REVERT: f 96 MET cc_start: 0.8490 (mtm) cc_final: 0.7916 (mtm) REVERT: f 98 MET cc_start: 0.5424 (ptt) cc_final: 0.4569 (ptt) REVERT: f 134 ASP cc_start: 0.9185 (t70) cc_final: 0.8955 (t0) REVERT: f 145 HIS cc_start: 0.8890 (t-90) cc_final: 0.8058 (t-90) REVERT: f 147 MET cc_start: 0.8619 (mmm) cc_final: 0.7642 (mmm) REVERT: f 148 TYR cc_start: 0.9055 (m-80) cc_final: 0.8794 (m-80) REVERT: f 151 ASP cc_start: 0.8824 (t0) cc_final: 0.8390 (t0) REVERT: f 166 LEU cc_start: 0.9543 (mt) cc_final: 0.9271 (mt) REVERT: f 180 HIS cc_start: 0.8335 (t-90) cc_final: 0.7978 (t-90) REVERT: f 198 ILE cc_start: 0.9168 (mt) cc_final: 0.8819 (mt) REVERT: f 199 ASP cc_start: 0.8857 (t0) cc_final: 0.8462 (t0) REVERT: f 211 GLU cc_start: 0.9101 (tt0) cc_final: 0.8612 (tt0) REVERT: f 245 ASN cc_start: 0.8412 (m-40) cc_final: 0.8019 (m110) REVERT: f 247 TRP cc_start: 0.8793 (m-10) cc_final: 0.8424 (m100) REVERT: f 250 MET cc_start: 0.8864 (mtp) cc_final: 0.8572 (mtp) REVERT: f 252 PHE cc_start: 0.8639 (p90) cc_final: 0.8430 (p90) REVERT: f 267 LYS cc_start: 0.9125 (pttt) cc_final: 0.8817 (pttm) REVERT: f 277 ASP cc_start: 0.9514 (m-30) cc_final: 0.9182 (m-30) REVERT: f 299 MET cc_start: 0.8900 (mmm) cc_final: 0.8586 (mmm) REVERT: f 303 ASN cc_start: 0.8688 (t0) cc_final: 0.8308 (t0) REVERT: f 312 TYR cc_start: 0.8956 (t80) cc_final: 0.8703 (t80) REVERT: f 318 LYS cc_start: 0.9413 (mtmm) cc_final: 0.9158 (mtmm) REVERT: f 350 PHE cc_start: 0.9324 (m-80) cc_final: 0.8933 (m-80) REVERT: f 375 PHE cc_start: 0.9523 (p90) cc_final: 0.9091 (p90) REVERT: f 386 LEU cc_start: 0.9779 (mt) cc_final: 0.9576 (mt) REVERT: f 390 ASP cc_start: 0.9046 (t0) cc_final: 0.8789 (t0) REVERT: f 391 THR cc_start: 0.9220 (p) cc_final: 0.8994 (p) REVERT: f 393 ILE cc_start: 0.9278 (pt) cc_final: 0.8855 (tp) REVERT: f 404 PHE cc_start: 0.9141 (m-80) cc_final: 0.8552 (m-80) REVERT: f 413 PHE cc_start: 0.8942 (t80) cc_final: 0.8703 (t80) REVERT: f 417 LEU cc_start: 0.9363 (tp) cc_final: 0.9121 (tp) REVERT: f 426 ASP cc_start: 0.9031 (t0) cc_final: 0.8564 (t0) REVERT: f 428 TYR cc_start: 0.9383 (m-80) cc_final: 0.9102 (m-80) REVERT: f 442 ASN cc_start: 0.8244 (p0) cc_final: 0.7653 (p0) REVERT: f 450 TYR cc_start: 0.8616 (t80) cc_final: 0.8381 (t80) REVERT: f 462 SER cc_start: 0.9108 (p) cc_final: 0.8831 (t) REVERT: f 463 ASP cc_start: 0.8864 (t0) cc_final: 0.8521 (t70) REVERT: f 477 TYR cc_start: 0.8888 (p90) cc_final: 0.8470 (p90) REVERT: f 510 ASN cc_start: 0.8982 (t0) cc_final: 0.8065 (t0) REVERT: f 513 PHE cc_start: 0.9029 (m-80) cc_final: 0.8596 (m-80) REVERT: g 117 MET cc_start: 0.8323 (mtp) cc_final: 0.7935 (mpp) REVERT: g 128 ARG cc_start: 0.8981 (mtt-85) cc_final: 0.8703 (mtt180) REVERT: g 134 ASP cc_start: 0.8612 (t0) cc_final: 0.8304 (t0) REVERT: g 145 HIS cc_start: 0.9122 (t-90) cc_final: 0.8510 (t-90) REVERT: g 147 MET cc_start: 0.8918 (tpt) cc_final: 0.8410 (tpt) REVERT: g 148 TYR cc_start: 0.9369 (m-80) cc_final: 0.7796 (m-80) REVERT: g 176 ASP cc_start: 0.7916 (t0) cc_final: 0.7455 (p0) REVERT: g 180 HIS cc_start: 0.7903 (t70) cc_final: 0.7520 (t70) REVERT: g 188 VAL cc_start: 0.9014 (p) cc_final: 0.8665 (m) REVERT: g 199 ASP cc_start: 0.8079 (t0) cc_final: 0.7854 (t0) REVERT: g 207 LYS cc_start: 0.8987 (mttt) cc_final: 0.8707 (mttp) REVERT: g 212 ILE cc_start: 0.9743 (mt) cc_final: 0.9300 (mt) REVERT: g 216 MET cc_start: 0.9671 (mtm) cc_final: 0.9089 (mtm) REVERT: g 245 ASN cc_start: 0.8410 (t0) cc_final: 0.8139 (t0) REVERT: g 250 MET cc_start: 0.8555 (mtp) cc_final: 0.7801 (ptp) REVERT: g 262 LYS cc_start: 0.7491 (mmpt) cc_final: 0.7205 (mmmm) REVERT: g 273 GLU cc_start: 0.9112 (mp0) cc_final: 0.7582 (tp30) REVERT: g 299 MET cc_start: 0.8905 (ttt) cc_final: 0.8576 (ttt) REVERT: g 304 ARG cc_start: 0.9246 (ttt90) cc_final: 0.8808 (tpp80) REVERT: g 315 GLN cc_start: 0.6296 (mp-120) cc_final: 0.5870 (mp-120) REVERT: g 332 PHE cc_start: 0.6759 (t80) cc_final: 0.6224 (t80) REVERT: g 351 LYS cc_start: 0.9309 (mmtt) cc_final: 0.9080 (mmtt) REVERT: g 363 GLU cc_start: 0.9496 (tp30) cc_final: 0.8924 (tp30) REVERT: g 366 ARG cc_start: 0.8690 (ttt-90) cc_final: 0.7418 (tmt-80) REVERT: g 413 PHE cc_start: 0.8475 (t80) cc_final: 0.8232 (t80) REVERT: g 442 ASN cc_start: 0.8937 (t0) cc_final: 0.8611 (t0) REVERT: g 482 ASN cc_start: 0.8853 (t0) cc_final: 0.7796 (m110) REVERT: g 500 MET cc_start: 0.8941 (ttm) cc_final: 0.8628 (mmt) REVERT: g 509 LYS cc_start: 0.9479 (mtmm) cc_final: 0.8946 (pttm) REVERT: g 513 PHE cc_start: 0.9512 (m-80) cc_final: 0.8917 (m-80) REVERT: h 112 CYS cc_start: 0.9394 (m) cc_final: 0.8761 (t) REVERT: h 117 MET cc_start: 0.8764 (mtm) cc_final: 0.8109 (mtm) REVERT: h 147 MET cc_start: 0.7909 (mtt) cc_final: 0.7553 (mtt) REVERT: h 151 ASP cc_start: 0.8369 (t0) cc_final: 0.7269 (t70) REVERT: h 153 MET cc_start: 0.9075 (mpp) cc_final: 0.8596 (mpp) REVERT: h 166 LEU cc_start: 0.9419 (mt) cc_final: 0.8932 (mt) REVERT: h 180 HIS cc_start: 0.8643 (t-90) cc_final: 0.8322 (t-90) REVERT: h 194 VAL cc_start: 0.9346 (t) cc_final: 0.9130 (p) REVERT: h 204 ASP cc_start: 0.8871 (t0) cc_final: 0.8583 (t70) REVERT: h 212 ILE cc_start: 0.9651 (mt) cc_final: 0.9434 (mt) REVERT: h 215 GLN cc_start: 0.9602 (mt0) cc_final: 0.9314 (tp40) REVERT: h 247 TRP cc_start: 0.8873 (m-10) cc_final: 0.7778 (m100) REVERT: h 250 MET cc_start: 0.9051 (mtm) cc_final: 0.7953 (ptm) REVERT: h 257 GLN cc_start: 0.9004 (pt0) cc_final: 0.8726 (pt0) REVERT: h 258 VAL cc_start: 0.9704 (p) cc_final: 0.9380 (p) REVERT: h 334 PHE cc_start: 0.8017 (m-80) cc_final: 0.7784 (m-80) REVERT: h 339 ASP cc_start: 0.7599 (m-30) cc_final: 0.7393 (m-30) REVERT: h 345 TRP cc_start: 0.8597 (p-90) cc_final: 0.7486 (p-90) REVERT: h 350 PHE cc_start: 0.9310 (m-80) cc_final: 0.8879 (m-80) REVERT: h 357 ILE cc_start: 0.9681 (mt) cc_final: 0.9404 (mt) REVERT: h 360 GLU cc_start: 0.9623 (mt-10) cc_final: 0.9183 (mt-10) REVERT: h 363 GLU cc_start: 0.9482 (tp30) cc_final: 0.8965 (tp30) REVERT: h 404 PHE cc_start: 0.7427 (m-80) cc_final: 0.7151 (m-80) REVERT: h 412 VAL cc_start: 0.9501 (p) cc_final: 0.9279 (t) REVERT: h 432 ASP cc_start: 0.8018 (t0) cc_final: 0.7699 (t70) REVERT: h 442 ASN cc_start: 0.8670 (t0) cc_final: 0.8166 (t0) REVERT: h 484 PHE cc_start: 0.9235 (m-10) cc_final: 0.8657 (m-10) REVERT: h 504 LEU cc_start: 0.9086 (mt) cc_final: 0.8729 (tt) REVERT: i 90 GLN cc_start: 0.8424 (mm-40) cc_final: 0.8034 (mp10) REVERT: i 107 ILE cc_start: 0.8892 (mp) cc_final: 0.8631 (mp) REVERT: i 110 ASP cc_start: 0.8695 (m-30) cc_final: 0.8431 (m-30) REVERT: i 142 GLU cc_start: 0.9028 (pt0) cc_final: 0.7782 (tm-30) REVERT: i 145 HIS cc_start: 0.8625 (t-90) cc_final: 0.7505 (t-90) REVERT: i 147 MET cc_start: 0.8461 (mmm) cc_final: 0.7922 (mmm) REVERT: i 148 TYR cc_start: 0.8787 (m-80) cc_final: 0.8426 (m-80) REVERT: i 151 ASP cc_start: 0.8823 (t0) cc_final: 0.8555 (t0) REVERT: i 180 HIS cc_start: 0.9019 (t70) cc_final: 0.8698 (t70) REVERT: i 191 GLN cc_start: 0.9598 (tt0) cc_final: 0.9343 (tp-100) REVERT: i 198 ILE cc_start: 0.9401 (mp) cc_final: 0.9171 (mp) REVERT: i 199 ASP cc_start: 0.8049 (t0) cc_final: 0.7743 (t70) REVERT: i 224 ILE cc_start: 0.8701 (tp) cc_final: 0.8443 (tp) REVERT: i 250 MET cc_start: 0.7475 (mtm) cc_final: 0.5392 (ptm) REVERT: i 257 GLN cc_start: 0.8670 (pt0) cc_final: 0.8458 (pt0) REVERT: i 264 ARG cc_start: 0.7787 (mtm180) cc_final: 0.7567 (mtp180) REVERT: i 289 GLU cc_start: 0.9207 (mm-30) cc_final: 0.8954 (mm-30) REVERT: i 332 PHE cc_start: 0.8946 (t80) cc_final: 0.8363 (t80) REVERT: i 336 ASP cc_start: 0.7665 (t0) cc_final: 0.7261 (t0) REVERT: i 348 GLU cc_start: 0.8878 (mt-10) cc_final: 0.8041 (mp0) REVERT: i 356 GLN cc_start: 0.9180 (mp10) cc_final: 0.8811 (mp10) REVERT: i 359 LYS cc_start: 0.9701 (ptmt) cc_final: 0.9132 (pptt) REVERT: i 390 ASP cc_start: 0.9009 (t0) cc_final: 0.8580 (t0) REVERT: i 420 LYS cc_start: 0.8760 (tmtt) cc_final: 0.8528 (tptp) REVERT: i 426 ASP cc_start: 0.8959 (t0) cc_final: 0.8503 (t0) REVERT: i 444 MET cc_start: 0.8636 (mmm) cc_final: 0.8312 (tpp) REVERT: i 463 ASP cc_start: 0.9136 (t0) cc_final: 0.8893 (t0) REVERT: i 481 ILE cc_start: 0.8550 (mt) cc_final: 0.7841 (mt) REVERT: i 513 PHE cc_start: 0.9002 (m-10) cc_final: 0.8594 (m-10) REVERT: i 514 ARG cc_start: 0.7390 (tpp80) cc_final: 0.6881 (tpp80) REVERT: j 68 ILE cc_start: 0.9421 (mp) cc_final: 0.8846 (mp) REVERT: j 90 GLN cc_start: 0.9158 (mm110) cc_final: 0.8957 (mp10) REVERT: j 105 ASN cc_start: 0.8798 (m110) cc_final: 0.8438 (m-40) REVERT: j 109 PHE cc_start: 0.8765 (m-80) cc_final: 0.8335 (m-80) REVERT: j 147 MET cc_start: 0.8620 (mtt) cc_final: 0.7675 (mmm) REVERT: j 153 MET cc_start: 0.8724 (ptt) cc_final: 0.8232 (ptt) REVERT: j 154 PHE cc_start: 0.8813 (t80) cc_final: 0.8347 (t80) REVERT: j 163 PHE cc_start: 0.8689 (m-80) cc_final: 0.8319 (m-10) REVERT: j 182 PHE cc_start: 0.9370 (m-80) cc_final: 0.8231 (m-80) REVERT: j 209 ASP cc_start: 0.9659 (m-30) cc_final: 0.9125 (m-30) REVERT: j 211 GLU cc_start: 0.9475 (tp30) cc_final: 0.9122 (tp30) REVERT: j 215 GLN cc_start: 0.9208 (mm110) cc_final: 0.8796 (mm110) REVERT: j 216 MET cc_start: 0.8979 (mmm) cc_final: 0.8759 (mmm) REVERT: j 228 MET cc_start: 0.8061 (ppp) cc_final: 0.7769 (ppp) REVERT: j 247 TRP cc_start: 0.8337 (m100) cc_final: 0.8016 (m100) REVERT: j 250 MET cc_start: 0.8264 (mtp) cc_final: 0.7090 (ptm) REVERT: j 267 LYS cc_start: 0.9018 (pptt) cc_final: 0.8470 (pptt) REVERT: j 305 GLU cc_start: 0.9374 (tt0) cc_final: 0.8954 (tt0) REVERT: j 309 TRP cc_start: 0.9295 (m100) cc_final: 0.8932 (m100) REVERT: j 315 GLN cc_start: 0.5914 (mp10) cc_final: 0.5707 (mp-120) REVERT: j 318 LYS cc_start: 0.9088 (ttpt) cc_final: 0.8762 (ptmm) REVERT: j 351 LYS cc_start: 0.9696 (mttp) cc_final: 0.9245 (mttp) REVERT: j 395 TYR cc_start: 0.7559 (t80) cc_final: 0.7075 (t80) REVERT: j 404 PHE cc_start: 0.8146 (m-80) cc_final: 0.7208 (m-80) REVERT: j 420 LYS cc_start: 0.8765 (tptp) cc_final: 0.8280 (tptp) REVERT: j 424 TYR cc_start: 0.8729 (m-80) cc_final: 0.8502 (m-80) REVERT: j 486 GLU cc_start: 0.8149 (tt0) cc_final: 0.7767 (tt0) REVERT: k 105 ASN cc_start: 0.8431 (m110) cc_final: 0.8002 (m110) REVERT: k 110 ASP cc_start: 0.8675 (t0) cc_final: 0.8187 (t0) REVERT: k 118 ASN cc_start: 0.9230 (p0) cc_final: 0.8869 (p0) REVERT: k 124 VAL cc_start: 0.9611 (p) cc_final: 0.9360 (p) REVERT: k 125 PHE cc_start: 0.8363 (m-80) cc_final: 0.8067 (m-80) REVERT: k 141 LYS cc_start: 0.6571 (mmmt) cc_final: 0.6103 (mmmt) REVERT: k 144 PHE cc_start: 0.8717 (m-10) cc_final: 0.8494 (m-10) REVERT: k 153 MET cc_start: 0.8544 (mmt) cc_final: 0.7868 (mmm) REVERT: k 189 TYR cc_start: 0.8315 (m-80) cc_final: 0.6911 (m-80) REVERT: k 199 ASP cc_start: 0.7154 (t0) cc_final: 0.6608 (t0) REVERT: k 212 ILE cc_start: 0.9807 (mt) cc_final: 0.9549 (mt) REVERT: k 247 TRP cc_start: 0.8518 (m-90) cc_final: 0.7901 (m-90) REVERT: k 265 GLN cc_start: 0.9103 (pt0) cc_final: 0.8364 (pt0) REVERT: k 267 LYS cc_start: 0.9252 (ttpt) cc_final: 0.8970 (ttpt) REVERT: k 274 LEU cc_start: 0.9559 (tp) cc_final: 0.9301 (tp) REVERT: k 279 ARG cc_start: 0.9103 (tpt170) cc_final: 0.8529 (mtp85) REVERT: k 293 ILE cc_start: 0.9151 (mp) cc_final: 0.8838 (mp) REVERT: k 294 LEU cc_start: 0.9549 (mp) cc_final: 0.9321 (mp) REVERT: k 297 GLU cc_start: 0.9218 (mm-30) cc_final: 0.8456 (mm-30) REVERT: k 311 ASN cc_start: 0.9636 (m110) cc_final: 0.9165 (m-40) REVERT: k 351 LYS cc_start: 0.9500 (mttm) cc_final: 0.8788 (mttm) REVERT: k 354 LEU cc_start: 0.9519 (mt) cc_final: 0.9240 (mt) REVERT: k 359 LYS cc_start: 0.9568 (tttt) cc_final: 0.9356 (tttt) REVERT: k 360 GLU cc_start: 0.9658 (tp30) cc_final: 0.9115 (tp30) REVERT: k 384 ASN cc_start: 0.9359 (m-40) cc_final: 0.9117 (m-40) REVERT: k 390 ASP cc_start: 0.9365 (t0) cc_final: 0.8976 (t70) REVERT: k 391 THR cc_start: 0.9380 (p) cc_final: 0.8985 (t) REVERT: k 404 PHE cc_start: 0.8999 (m-80) cc_final: 0.8723 (m-80) REVERT: k 433 TYR cc_start: 0.8880 (p90) cc_final: 0.8255 (p90) REVERT: k 443 GLU cc_start: 0.9117 (tp30) cc_final: 0.8866 (tp30) REVERT: k 444 MET cc_start: 0.8552 (mtp) cc_final: 0.7997 (mtp) REVERT: k 449 TYR cc_start: 0.9219 (m-80) cc_final: 0.7945 (m-80) REVERT: k 471 MET cc_start: 0.7325 (tmm) cc_final: 0.6965 (tmm) REVERT: k 473 PHE cc_start: 0.8315 (m-80) cc_final: 0.7458 (m-80) REVERT: k 481 ILE cc_start: 0.8871 (mp) cc_final: 0.8505 (mp) REVERT: k 482 ASN cc_start: 0.9367 (t0) cc_final: 0.8902 (t0) REVERT: k 490 GLN cc_start: 0.8862 (mp10) cc_final: 0.8513 (mm-40) REVERT: k 513 PHE cc_start: 0.8991 (m-80) cc_final: 0.8586 (m-80) REVERT: l 72 HIS cc_start: 0.8109 (m-70) cc_final: 0.7361 (m90) REVERT: l 98 MET cc_start: 0.8363 (ppp) cc_final: 0.7873 (tmm) REVERT: l 105 ASN cc_start: 0.9316 (t0) cc_final: 0.8983 (p0) REVERT: l 115 GLN cc_start: 0.7961 (tm-30) cc_final: 0.6590 (tm-30) REVERT: l 134 ASP cc_start: 0.8920 (t0) cc_final: 0.8575 (t0) REVERT: l 144 PHE cc_start: 0.9188 (m-80) cc_final: 0.7488 (m-80) REVERT: l 145 HIS cc_start: 0.9260 (t-170) cc_final: 0.7363 (t-170) REVERT: l 147 MET cc_start: 0.8655 (mmp) cc_final: 0.7340 (mmp) REVERT: l 148 TYR cc_start: 0.8598 (m-10) cc_final: 0.7736 (m-10) REVERT: l 151 ASP cc_start: 0.9181 (t0) cc_final: 0.8744 (t0) REVERT: l 171 GLN cc_start: 0.9314 (pm20) cc_final: 0.9072 (pm20) REVERT: l 172 THR cc_start: 0.9010 (p) cc_final: 0.8749 (p) REVERT: l 198 ILE cc_start: 0.9474 (tp) cc_final: 0.9196 (tp) REVERT: l 199 ASP cc_start: 0.8967 (t0) cc_final: 0.8100 (t0) REVERT: l 211 GLU cc_start: 0.9084 (tp30) cc_final: 0.8830 (tp30) REVERT: l 213 LYS cc_start: 0.9496 (mttt) cc_final: 0.8884 (mttt) REVERT: l 226 GLU cc_start: 0.7845 (tt0) cc_final: 0.7145 (tt0) REVERT: l 245 ASN cc_start: 0.6523 (p0) cc_final: 0.5975 (p0) REVERT: l 247 TRP cc_start: 0.8713 (m100) cc_final: 0.8119 (m100) REVERT: l 249 GLU cc_start: 0.7544 (tt0) cc_final: 0.7319 (tt0) REVERT: l 262 LYS cc_start: 0.8314 (mttp) cc_final: 0.7950 (mtpp) REVERT: l 297 GLU cc_start: 0.9551 (tp30) cc_final: 0.8670 (tp30) REVERT: l 301 GLU cc_start: 0.8110 (tt0) cc_final: 0.7835 (tt0) REVERT: l 309 TRP cc_start: 0.8951 (m100) cc_final: 0.7773 (m100) REVERT: l 315 GLN cc_start: 0.8162 (mm110) cc_final: 0.7690 (mm110) REVERT: l 334 PHE cc_start: 0.9568 (m-80) cc_final: 0.9201 (m-80) REVERT: l 350 PHE cc_start: 0.9544 (m-80) cc_final: 0.9100 (m-80) REVERT: l 363 GLU cc_start: 0.9259 (tp30) cc_final: 0.8618 (tp30) REVERT: l 366 ARG cc_start: 0.9229 (ttt-90) cc_final: 0.8839 (ttt180) REVERT: l 381 ASN cc_start: 0.9381 (m-40) cc_final: 0.8990 (p0) REVERT: l 386 LEU cc_start: 0.9601 (mt) cc_final: 0.9281 (mt) REVERT: l 434 PHE cc_start: 0.8440 (p90) cc_final: 0.8072 (p90) REVERT: l 448 ILE cc_start: 0.9627 (mt) cc_final: 0.9376 (mt) REVERT: l 463 ASP cc_start: 0.9017 (t70) cc_final: 0.8807 (t70) REVERT: l 468 GLN cc_start: 0.8311 (mm-40) cc_final: 0.7874 (mm-40) REVERT: l 481 ILE cc_start: 0.9072 (pt) cc_final: 0.8223 (pt) REVERT: l 510 ASN cc_start: 0.8975 (t0) cc_final: 0.8495 (t0) REVERT: l 512 TYR cc_start: 0.9318 (m-80) cc_final: 0.8727 (m-10) REVERT: l 513 PHE cc_start: 0.9592 (m-80) cc_final: 0.8835 (m-80) REVERT: m 72 HIS cc_start: 0.5334 (m170) cc_final: 0.4471 (m170) REVERT: m 98 MET cc_start: 0.4538 (ttp) cc_final: 0.4014 (ttp) REVERT: m 105 ASN cc_start: 0.8282 (t0) cc_final: 0.7756 (t0) REVERT: m 110 ASP cc_start: 0.8271 (m-30) cc_final: 0.7809 (m-30) REVERT: m 131 TYR cc_start: 0.9168 (p90) cc_final: 0.8235 (p90) REVERT: m 142 GLU cc_start: 0.7725 (tt0) cc_final: 0.7446 (tt0) REVERT: m 145 HIS cc_start: 0.9001 (t-90) cc_final: 0.8144 (t-90) REVERT: m 161 LYS cc_start: 0.9149 (tmtt) cc_final: 0.8897 (tmtt) REVERT: m 163 PHE cc_start: 0.9225 (m-80) cc_final: 0.8893 (m-80) REVERT: m 176 ASP cc_start: 0.9032 (t0) cc_final: 0.8655 (t0) REVERT: m 216 MET cc_start: 0.9212 (mtp) cc_final: 0.8969 (mtp) REVERT: m 228 MET cc_start: 0.7850 (mpp) cc_final: 0.7395 (mpp) REVERT: m 276 GLN cc_start: 0.7925 (pp30) cc_final: 0.7649 (pp30) REVERT: m 309 TRP cc_start: 0.9290 (m100) cc_final: 0.8893 (m100) REVERT: m 332 PHE cc_start: 0.9002 (t80) cc_final: 0.8617 (t80) REVERT: m 390 ASP cc_start: 0.8888 (t0) cc_final: 0.8498 (t70) REVERT: m 400 LEU cc_start: 0.9279 (mt) cc_final: 0.8903 (mt) REVERT: m 413 PHE cc_start: 0.8836 (t80) cc_final: 0.8297 (t80) REVERT: m 432 ASP cc_start: 0.8188 (m-30) cc_final: 0.7689 (m-30) REVERT: m 442 ASN cc_start: 0.8469 (p0) cc_final: 0.8218 (p0) REVERT: m 463 ASP cc_start: 0.9289 (t0) cc_final: 0.9069 (t0) REVERT: m 468 GLN cc_start: 0.8996 (mm-40) cc_final: 0.8720 (mm-40) REVERT: m 473 PHE cc_start: 0.8872 (m-80) cc_final: 0.8102 (m-80) REVERT: m 500 MET cc_start: 0.9007 (mtm) cc_final: 0.8793 (mpp) REVERT: m 509 LYS cc_start: 0.8820 (mmtp) cc_final: 0.8598 (mmtp) REVERT: n 96 MET cc_start: 0.7803 (tpt) cc_final: 0.7589 (tpt) REVERT: n 111 ILE cc_start: 0.9058 (pt) cc_final: 0.8841 (pt) REVERT: n 166 LEU cc_start: 0.9249 (mt) cc_final: 0.8868 (mt) REVERT: n 172 THR cc_start: 0.9427 (p) cc_final: 0.8153 (t) REVERT: n 191 GLN cc_start: 0.8764 (tt0) cc_final: 0.8178 (tp-100) REVERT: n 226 GLU cc_start: 0.8015 (tm-30) cc_final: 0.7764 (tm-30) REVERT: n 228 MET cc_start: 0.7443 (ptm) cc_final: 0.7027 (ptm) REVERT: n 316 VAL cc_start: 0.9087 (t) cc_final: 0.8874 (t) REVERT: n 319 SER cc_start: 0.9700 (t) cc_final: 0.9492 (m) REVERT: n 332 PHE cc_start: 0.8578 (t80) cc_final: 0.8378 (t80) REVERT: n 333 ASP cc_start: 0.8357 (t0) cc_final: 0.7620 (t0) REVERT: n 336 ASP cc_start: 0.8980 (t0) cc_final: 0.8460 (t0) REVERT: n 353 LEU cc_start: 0.9644 (tp) cc_final: 0.9416 (tp) REVERT: n 359 LYS cc_start: 0.9749 (tttp) cc_final: 0.9511 (tttp) REVERT: n 360 GLU cc_start: 0.9461 (mm-30) cc_final: 0.8780 (mm-30) REVERT: n 398 GLN cc_start: 0.9511 (tm-30) cc_final: 0.8853 (tm-30) REVERT: n 417 LEU cc_start: 0.9481 (tp) cc_final: 0.9267 (tp) REVERT: n 426 ASP cc_start: 0.9196 (t0) cc_final: 0.8835 (t0) REVERT: n 439 LYS cc_start: 0.9339 (ptpt) cc_final: 0.8679 (mtpt) REVERT: n 442 ASN cc_start: 0.9321 (t0) cc_final: 0.9044 (t0) REVERT: n 443 GLU cc_start: 0.9039 (pp20) cc_final: 0.8323 (tm-30) REVERT: n 453 TYR cc_start: 0.7829 (t80) cc_final: 0.7110 (t80) REVERT: n 467 PHE cc_start: 0.6603 (m-80) cc_final: 0.6118 (m-80) REVERT: n 476 ARG cc_start: 0.8650 (ttp-170) cc_final: 0.8099 (ttp-170) REVERT: n 496 ILE cc_start: 0.8764 (tp) cc_final: 0.8489 (mm) REVERT: n 512 TYR cc_start: 0.9379 (m-10) cc_final: 0.8895 (m-10) REVERT: n 513 PHE cc_start: 0.9445 (m-80) cc_final: 0.9063 (m-80) REVERT: o 98 MET cc_start: 0.8200 (ttp) cc_final: 0.7282 (ttp) REVERT: o 141 LYS cc_start: 0.9547 (mmmt) cc_final: 0.9253 (mmtp) REVERT: o 145 HIS cc_start: 0.8573 (t-90) cc_final: 0.7203 (t-90) REVERT: o 153 MET cc_start: 0.7229 (mmp) cc_final: 0.6850 (mmm) REVERT: o 198 ILE cc_start: 0.9540 (tp) cc_final: 0.8981 (tp) REVERT: o 211 GLU cc_start: 0.9529 (tp30) cc_final: 0.9159 (tt0) REVERT: o 250 MET cc_start: 0.7556 (mpp) cc_final: 0.6271 (mpp) REVERT: o 259 ILE cc_start: 0.6753 (tp) cc_final: 0.6394 (tp) REVERT: o 260 GLU cc_start: 0.6015 (tp30) cc_final: 0.4860 (tt0) REVERT: o 264 ARG cc_start: 0.8882 (ttm110) cc_final: 0.8542 (mtp180) REVERT: o 284 MET cc_start: 0.4547 (mtm) cc_final: 0.3940 (pmm) REVERT: o 311 ASN cc_start: 0.9579 (m110) cc_final: 0.9313 (m-40) REVERT: o 321 MET cc_start: 0.9281 (mpp) cc_final: 0.8761 (pmm) REVERT: o 334 PHE cc_start: 0.9256 (m-80) cc_final: 0.8880 (m-80) REVERT: o 350 PHE cc_start: 0.7769 (p90) cc_final: 0.7335 (p90) REVERT: o 354 LEU cc_start: 0.9257 (tp) cc_final: 0.8986 (tp) REVERT: o 372 GLU cc_start: 0.9098 (mp0) cc_final: 0.8825 (mp0) REVERT: o 393 ILE cc_start: 0.9360 (pt) cc_final: 0.8934 (mp) REVERT: o 400 LEU cc_start: 0.7740 (mm) cc_final: 0.7511 (mm) REVERT: o 404 PHE cc_start: 0.7838 (m-80) cc_final: 0.7401 (m-80) REVERT: o 426 ASP cc_start: 0.9375 (t0) cc_final: 0.9130 (t0) REVERT: o 453 TYR cc_start: 0.8758 (t80) cc_final: 0.8411 (t80) REVERT: o 473 PHE cc_start: 0.8698 (p90) cc_final: 0.7792 (p90) REVERT: o 500 MET cc_start: 0.9232 (mmp) cc_final: 0.8555 (mmp) REVERT: o 510 ASN cc_start: 0.9103 (t0) cc_final: 0.7551 (t0) REVERT: o 513 PHE cc_start: 0.9454 (m-80) cc_final: 0.8949 (m-80) REVERT: p 109 PHE cc_start: 0.8062 (m-80) cc_final: 0.7805 (m-80) REVERT: p 142 GLU cc_start: 0.8530 (tt0) cc_final: 0.8293 (tt0) REVERT: p 151 ASP cc_start: 0.7928 (t0) cc_final: 0.7526 (t0) REVERT: p 153 MET cc_start: 0.9347 (mtp) cc_final: 0.9004 (mtp) REVERT: p 157 GLN cc_start: 0.8919 (tp40) cc_final: 0.8501 (tp-100) REVERT: p 161 LYS cc_start: 0.9355 (pttt) cc_final: 0.9072 (pttp) REVERT: p 176 ASP cc_start: 0.8976 (t70) cc_final: 0.8757 (t70) REVERT: p 212 ILE cc_start: 0.9446 (mt) cc_final: 0.9165 (mt) REVERT: p 257 GLN cc_start: 0.9249 (mt0) cc_final: 0.8972 (mt0) REVERT: p 270 TYR cc_start: 0.8206 (p90) cc_final: 0.7994 (p90) REVERT: p 276 GLN cc_start: 0.9358 (mt0) cc_final: 0.8959 (mt0) REVERT: p 278 LEU cc_start: 0.9489 (tp) cc_final: 0.9261 (tp) REVERT: p 304 ARG cc_start: 0.9128 (mmm160) cc_final: 0.8710 (mmm160) REVERT: p 315 GLN cc_start: 0.8268 (mm110) cc_final: 0.7755 (mm110) REVERT: p 318 LYS cc_start: 0.9423 (mttm) cc_final: 0.8622 (mttt) REVERT: p 332 PHE cc_start: 0.9208 (t80) cc_final: 0.8698 (t80) REVERT: p 344 ARG cc_start: 0.7337 (mtt180) cc_final: 0.7027 (mtt180) REVERT: p 350 PHE cc_start: 0.9343 (m-80) cc_final: 0.9029 (m-80) REVERT: p 355 PHE cc_start: 0.9588 (t80) cc_final: 0.9254 (t80) REVERT: p 358 ASP cc_start: 0.9615 (m-30) cc_final: 0.9231 (m-30) REVERT: p 360 GLU cc_start: 0.9306 (mm-30) cc_final: 0.8954 (mm-30) REVERT: p 404 PHE cc_start: 0.8228 (m-80) cc_final: 0.7894 (m-80) REVERT: p 412 VAL cc_start: 0.9710 (m) cc_final: 0.9297 (m) REVERT: p 417 LEU cc_start: 0.9715 (tp) cc_final: 0.9504 (tp) REVERT: p 426 ASP cc_start: 0.9360 (t0) cc_final: 0.8995 (t0) REVERT: p 442 ASN cc_start: 0.8847 (t0) cc_final: 0.8375 (t0) REVERT: p 465 LYS cc_start: 0.9329 (mppt) cc_final: 0.9074 (mmtm) REVERT: p 481 ILE cc_start: 0.9277 (pt) cc_final: 0.9066 (pt) REVERT: p 484 PHE cc_start: 0.8368 (m-10) cc_final: 0.8161 (m-10) REVERT: p 513 PHE cc_start: 0.9522 (m-10) cc_final: 0.9264 (m-10) REVERT: p 516 VAL cc_start: 0.9533 (t) cc_final: 0.8743 (t) REVERT: q 112 CYS cc_start: 0.8828 (p) cc_final: 0.8406 (p) REVERT: q 123 GLN cc_start: 0.9079 (pt0) cc_final: 0.8846 (pt0) REVERT: q 147 MET cc_start: 0.8154 (mmp) cc_final: 0.7696 (mmp) REVERT: q 153 MET cc_start: 0.8480 (mtp) cc_final: 0.7679 (ttm) REVERT: q 163 PHE cc_start: 0.7985 (m-10) cc_final: 0.7592 (m-10) REVERT: q 172 THR cc_start: 0.9163 (p) cc_final: 0.8446 (p) REVERT: q 176 ASP cc_start: 0.8882 (t0) cc_final: 0.8529 (t70) REVERT: q 178 TYR cc_start: 0.8023 (m-80) cc_final: 0.6908 (m-80) REVERT: q 191 GLN cc_start: 0.9383 (tt0) cc_final: 0.8695 (tp40) REVERT: q 217 GLU cc_start: 0.9425 (pp20) cc_final: 0.9035 (pp20) REVERT: q 224 ILE cc_start: 0.8972 (tt) cc_final: 0.8734 (tt) REVERT: q 228 MET cc_start: 0.8723 (ptp) cc_final: 0.8458 (ptp) REVERT: q 248 ASN cc_start: 0.9497 (m-40) cc_final: 0.9283 (m-40) REVERT: q 282 HIS cc_start: 0.9094 (t-90) cc_final: 0.8872 (t-170) REVERT: q 284 MET cc_start: 0.4832 (mpp) cc_final: 0.4405 (mpp) REVERT: q 310 ILE cc_start: 0.9677 (mt) cc_final: 0.9447 (mt) REVERT: q 328 LYS cc_start: 0.9453 (tptm) cc_final: 0.9110 (tppt) REVERT: q 333 ASP cc_start: 0.8484 (t0) cc_final: 0.8262 (t0) REVERT: q 336 ASP cc_start: 0.9087 (t0) cc_final: 0.8577 (t70) REVERT: q 359 LYS cc_start: 0.9271 (ttpt) cc_final: 0.8958 (ttpt) REVERT: q 381 ASN cc_start: 0.9461 (m-40) cc_final: 0.9144 (p0) REVERT: q 390 ASP cc_start: 0.9563 (t0) cc_final: 0.9313 (t70) REVERT: q 421 TYR cc_start: 0.9401 (m-10) cc_final: 0.9018 (m-10) REVERT: q 426 ASP cc_start: 0.8434 (t0) cc_final: 0.8003 (t0) REVERT: q 432 ASP cc_start: 0.7881 (t0) cc_final: 0.7679 (t0) REVERT: q 449 TYR cc_start: 0.8717 (m-80) cc_final: 0.8440 (m-80) REVERT: q 453 TYR cc_start: 0.8419 (t80) cc_final: 0.7964 (t80) REVERT: q 471 MET cc_start: 0.8270 (tpp) cc_final: 0.8053 (tpp) REVERT: q 482 ASN cc_start: 0.9481 (t0) cc_final: 0.8954 (t0) REVERT: q 504 LEU cc_start: 0.9578 (mp) cc_final: 0.9310 (tt) REVERT: q 510 ASN cc_start: 0.9552 (t0) cc_final: 0.9125 (t0) REVERT: q 513 PHE cc_start: 0.9554 (m-10) cc_final: 0.8979 (m-10) REVERT: q 515 ARG cc_start: 0.8274 (ptt180) cc_final: 0.7772 (ptm160) REVERT: r 105 ASN cc_start: 0.8867 (m110) cc_final: 0.8594 (m110) REVERT: r 134 ASP cc_start: 0.8769 (t0) cc_final: 0.8410 (t0) REVERT: r 144 PHE cc_start: 0.9099 (m-10) cc_final: 0.8886 (m-10) REVERT: r 145 HIS cc_start: 0.9362 (t-90) cc_final: 0.8190 (t-90) REVERT: r 147 MET cc_start: 0.8297 (ttm) cc_final: 0.7935 (ttm) REVERT: r 151 ASP cc_start: 0.9141 (t0) cc_final: 0.8474 (t0) REVERT: r 176 ASP cc_start: 0.9020 (m-30) cc_final: 0.8216 (p0) REVERT: r 189 TYR cc_start: 0.8475 (m-80) cc_final: 0.8125 (m-80) REVERT: r 191 GLN cc_start: 0.9103 (tt0) cc_final: 0.8840 (tt0) REVERT: r 194 VAL cc_start: 0.9513 (t) cc_final: 0.9267 (p) REVERT: r 212 ILE cc_start: 0.9669 (mt) cc_final: 0.9462 (mt) REVERT: r 213 LYS cc_start: 0.8776 (mtpt) cc_final: 0.8453 (mtpt) REVERT: r 216 MET cc_start: 0.9184 (mtp) cc_final: 0.8727 (mtp) REVERT: r 240 ASN cc_start: 0.8180 (t0) cc_final: 0.7943 (t0) REVERT: r 266 LEU cc_start: 0.9480 (mt) cc_final: 0.9207 (mt) REVERT: r 293 ILE cc_start: 0.9461 (mm) cc_final: 0.9190 (mm) REVERT: r 297 GLU cc_start: 0.9043 (mm-30) cc_final: 0.8045 (mm-30) REVERT: r 300 LEU cc_start: 0.9341 (mt) cc_final: 0.8966 (mt) REVERT: r 309 TRP cc_start: 0.9235 (m100) cc_final: 0.8034 (m100) REVERT: r 333 ASP cc_start: 0.8415 (t0) cc_final: 0.8116 (t0) REVERT: r 336 ASP cc_start: 0.9091 (t0) cc_final: 0.8846 (t0) REVERT: r 339 ASP cc_start: 0.8932 (t0) cc_final: 0.8644 (t0) REVERT: r 350 PHE cc_start: 0.9390 (m-10) cc_final: 0.9077 (m-80) REVERT: r 390 ASP cc_start: 0.8269 (t0) cc_final: 0.7713 (t0) REVERT: r 400 LEU cc_start: 0.9186 (mt) cc_final: 0.8977 (mt) REVERT: r 404 PHE cc_start: 0.8838 (m-80) cc_final: 0.8331 (m-80) REVERT: r 407 ASP cc_start: 0.8495 (t0) cc_final: 0.7356 (t70) REVERT: r 410 LYS cc_start: 0.9199 (mptt) cc_final: 0.8551 (mptt) REVERT: r 421 TYR cc_start: 0.8490 (m-80) cc_final: 0.8208 (m-10) REVERT: r 424 TYR cc_start: 0.8795 (m-80) cc_final: 0.8352 (m-80) REVERT: r 442 ASN cc_start: 0.9290 (t0) cc_final: 0.9043 (t0) REVERT: r 484 PHE cc_start: 0.8624 (m-80) cc_final: 0.7471 (m-10) REVERT: r 515 ARG cc_start: 0.8554 (ttp80) cc_final: 0.8186 (ttp80) REVERT: s 90 GLN cc_start: 0.9397 (mm-40) cc_final: 0.9003 (mp10) REVERT: s 98 MET cc_start: 0.7071 (ppp) cc_final: 0.6632 (ppp) REVERT: s 134 ASP cc_start: 0.9058 (t0) cc_final: 0.8762 (t0) REVERT: s 136 VAL cc_start: 0.9664 (t) cc_final: 0.9426 (m) REVERT: s 144 PHE cc_start: 0.8676 (m-80) cc_final: 0.8290 (m-80) REVERT: s 145 HIS cc_start: 0.9191 (t-90) cc_final: 0.8564 (t-90) REVERT: s 147 MET cc_start: 0.8824 (mtt) cc_final: 0.8355 (tpp) REVERT: s 151 ASP cc_start: 0.8774 (t70) cc_final: 0.8224 (t70) REVERT: s 153 MET cc_start: 0.9643 (mmt) cc_final: 0.9316 (mmm) REVERT: s 157 GLN cc_start: 0.8879 (tp-100) cc_final: 0.8039 (tp40) REVERT: s 189 TYR cc_start: 0.8739 (m-80) cc_final: 0.8233 (m-80) REVERT: s 212 ILE cc_start: 0.9760 (mt) cc_final: 0.9454 (pt) REVERT: s 213 LYS cc_start: 0.8944 (mtmt) cc_final: 0.8583 (mttm) REVERT: s 216 MET cc_start: 0.9483 (mtm) cc_final: 0.9128 (mtm) REVERT: s 235 LEU cc_start: 0.8702 (tp) cc_final: 0.8390 (pp) REVERT: s 265 GLN cc_start: 0.9178 (pt0) cc_final: 0.8712 (pm20) REVERT: s 277 ASP cc_start: 0.9539 (m-30) cc_final: 0.9286 (m-30) REVERT: s 293 ILE cc_start: 0.9740 (tp) cc_final: 0.8976 (tp) REVERT: s 297 GLU cc_start: 0.9626 (tp30) cc_final: 0.8931 (mm-30) REVERT: s 299 MET cc_start: 0.9176 (mtm) cc_final: 0.8856 (mmm) REVERT: s 304 ARG cc_start: 0.8611 (tpp80) cc_final: 0.7506 (mmm160) REVERT: s 309 TRP cc_start: 0.8723 (m100) cc_final: 0.8412 (m100) REVERT: s 311 ASN cc_start: 0.9482 (m-40) cc_final: 0.8968 (m-40) REVERT: s 334 PHE cc_start: 0.9367 (m-80) cc_final: 0.8819 (m-80) REVERT: s 345 TRP cc_start: 0.8984 (p-90) cc_final: 0.8269 (p-90) REVERT: s 350 PHE cc_start: 0.9311 (m-80) cc_final: 0.8979 (m-10) REVERT: s 355 PHE cc_start: 0.8992 (t80) cc_final: 0.8373 (t80) REVERT: s 395 TYR cc_start: 0.6489 (m-80) cc_final: 0.6256 (m-80) REVERT: s 404 PHE cc_start: 0.8511 (m-80) cc_final: 0.7854 (m-80) REVERT: s 421 TYR cc_start: 0.8968 (m-80) cc_final: 0.8719 (m-80) REVERT: s 432 ASP cc_start: 0.9408 (t70) cc_final: 0.9103 (t0) REVERT: s 436 VAL cc_start: 0.9726 (m) cc_final: 0.9410 (m) REVERT: s 456 LEU cc_start: 0.9469 (pp) cc_final: 0.9192 (pp) REVERT: s 481 ILE cc_start: 0.9125 (mm) cc_final: 0.8721 (mm) REVERT: s 497 GLN cc_start: 0.7929 (mt0) cc_final: 0.7393 (mp10) REVERT: s 498 SER cc_start: 0.9052 (p) cc_final: 0.8773 (p) REVERT: s 500 MET cc_start: 0.9082 (ttm) cc_final: 0.8780 (mmm) REVERT: s 514 ARG cc_start: 0.8268 (mtp85) cc_final: 0.7908 (tpp80) REVERT: t 110 ASP cc_start: 0.8030 (m-30) cc_final: 0.7366 (t0) REVERT: t 131 TYR cc_start: 0.8331 (p90) cc_final: 0.7314 (p90) REVERT: t 142 GLU cc_start: 0.6331 (tt0) cc_final: 0.5924 (tt0) REVERT: t 144 PHE cc_start: 0.8153 (m-10) cc_final: 0.6570 (m-10) REVERT: t 151 ASP cc_start: 0.8475 (p0) cc_final: 0.7082 (p0) REVERT: t 153 MET cc_start: 0.9298 (mtp) cc_final: 0.8777 (mtm) REVERT: t 166 LEU cc_start: 0.9194 (mt) cc_final: 0.8928 (mt) REVERT: t 176 ASP cc_start: 0.8743 (m-30) cc_final: 0.8445 (m-30) REVERT: t 183 GLN cc_start: 0.8978 (tp-100) cc_final: 0.8217 (pp30) REVERT: t 199 ASP cc_start: 0.9137 (t0) cc_final: 0.8831 (t0) REVERT: t 221 LEU cc_start: 0.9764 (mm) cc_final: 0.9560 (mm) REVERT: t 223 GLU cc_start: 0.8564 (tt0) cc_final: 0.7512 (tt0) REVERT: t 250 MET cc_start: 0.8749 (mtm) cc_final: 0.8541 (pmm) REVERT: t 299 MET cc_start: 0.8650 (mtp) cc_final: 0.8414 (mtt) REVERT: t 318 LYS cc_start: 0.9383 (mtpp) cc_final: 0.8489 (mtpp) REVERT: t 349 SER cc_start: 0.9788 (p) cc_final: 0.9564 (m) REVERT: t 350 PHE cc_start: 0.9602 (m-10) cc_final: 0.9226 (m-10) REVERT: t 356 GLN cc_start: 0.9280 (tp40) cc_final: 0.8730 (tp-100) REVERT: t 359 LYS cc_start: 0.9642 (tttp) cc_final: 0.9121 (mtmm) REVERT: t 360 GLU cc_start: 0.9506 (mt-10) cc_final: 0.9013 (mt-10) REVERT: t 363 GLU cc_start: 0.9107 (tp30) cc_final: 0.7932 (tp30) REVERT: t 367 GLN cc_start: 0.9210 (tp40) cc_final: 0.8625 (mm110) REVERT: t 375 PHE cc_start: 0.9463 (p90) cc_final: 0.9036 (p90) REVERT: t 381 ASN cc_start: 0.9044 (m-40) cc_final: 0.8616 (p0) REVERT: t 385 VAL cc_start: 0.9748 (t) cc_final: 0.9433 (p) REVERT: t 400 LEU cc_start: 0.9432 (mt) cc_final: 0.9097 (mt) REVERT: t 413 PHE cc_start: 0.8929 (t80) cc_final: 0.8467 (t80) REVERT: t 432 ASP cc_start: 0.6541 (t0) cc_final: 0.3892 (m-30) REVERT: t 453 TYR cc_start: 0.6783 (t80) cc_final: 0.6392 (t80) REVERT: t 481 ILE cc_start: 0.9355 (mt) cc_final: 0.9008 (mm) REVERT: t 482 ASN cc_start: 0.8716 (p0) cc_final: 0.8088 (p0) REVERT: t 484 PHE cc_start: 0.7440 (m-80) cc_final: 0.6769 (m-80) REVERT: t 510 ASN cc_start: 0.9347 (t0) cc_final: 0.8745 (p0) REVERT: u 71 ASP cc_start: 0.7400 (t0) cc_final: 0.6426 (t0) REVERT: u 75 ASN cc_start: 0.8850 (t0) cc_final: 0.8580 (t0) REVERT: u 105 ASN cc_start: 0.8360 (m-40) cc_final: 0.7664 (t0) REVERT: u 147 MET cc_start: 0.8838 (mtp) cc_final: 0.8286 (mtp) REVERT: u 153 MET cc_start: 0.7133 (mmt) cc_final: 0.6590 (mmt) REVERT: u 157 GLN cc_start: 0.8372 (tm-30) cc_final: 0.7913 (tm-30) REVERT: u 204 ASP cc_start: 0.9008 (t0) cc_final: 0.8787 (t0) REVERT: u 214 LYS cc_start: 0.9214 (mttt) cc_final: 0.8866 (ptmt) REVERT: u 226 GLU cc_start: 0.8361 (tm-30) cc_final: 0.7817 (pp20) REVERT: u 240 ASN cc_start: 0.8363 (m110) cc_final: 0.7889 (m110) REVERT: u 250 MET cc_start: 0.8556 (mmm) cc_final: 0.7934 (mmm) REVERT: u 255 ASP cc_start: 0.8724 (m-30) cc_final: 0.8347 (m-30) REVERT: u 309 TRP cc_start: 0.9030 (m100) cc_final: 0.7161 (m100) REVERT: u 345 TRP cc_start: 0.6181 (m-10) cc_final: 0.4986 (m-10) REVERT: u 351 LYS cc_start: 0.9392 (mttt) cc_final: 0.9067 (mttt) REVERT: u 356 GLN cc_start: 0.9484 (tp40) cc_final: 0.9153 (tp-100) REVERT: u 367 GLN cc_start: 0.8808 (mt0) cc_final: 0.8530 (mm110) REVERT: u 391 THR cc_start: 0.8937 (p) cc_final: 0.8663 (p) REVERT: u 404 PHE cc_start: 0.8248 (m-80) cc_final: 0.7416 (m-80) REVERT: u 417 LEU cc_start: 0.9840 (tp) cc_final: 0.9589 (tp) REVERT: u 426 ASP cc_start: 0.9325 (t0) cc_final: 0.9029 (t0) REVERT: u 428 TYR cc_start: 0.9052 (m-10) cc_final: 0.8608 (m-10) REVERT: u 459 LEU cc_start: 0.5130 (tp) cc_final: 0.4911 (tp) REVERT: u 487 SER cc_start: 0.9028 (p) cc_final: 0.8583 (p) REVERT: u 497 GLN cc_start: 0.8890 (tp40) cc_final: 0.8296 (tp40) REVERT: u 510 ASN cc_start: 0.9346 (t0) cc_final: 0.9092 (t0) REVERT: u 515 ARG cc_start: 0.7801 (ttt180) cc_final: 0.6752 (ttt180) REVERT: v 89 THR cc_start: 0.9357 (p) cc_final: 0.8931 (p) REVERT: v 90 GLN cc_start: 0.8501 (mm110) cc_final: 0.8144 (mp10) REVERT: v 105 ASN cc_start: 0.8066 (m110) cc_final: 0.7785 (m110) REVERT: v 142 GLU cc_start: 0.8961 (tt0) cc_final: 0.8572 (tt0) REVERT: v 145 HIS cc_start: 0.8942 (t-90) cc_final: 0.8268 (t-90) REVERT: v 147 MET cc_start: 0.7082 (mtt) cc_final: 0.6841 (mtt) REVERT: v 154 PHE cc_start: 0.8846 (t80) cc_final: 0.8242 (t80) REVERT: v 180 HIS cc_start: 0.8715 (t-90) cc_final: 0.7410 (t-90) REVERT: v 228 MET cc_start: 0.7287 (ttp) cc_final: 0.7054 (ttp) REVERT: v 279 ARG cc_start: 0.8864 (ttm-80) cc_final: 0.8369 (ttm-80) REVERT: v 285 ASP cc_start: 0.9274 (p0) cc_final: 0.8446 (m-30) REVERT: v 290 LEU cc_start: 0.9343 (mt) cc_final: 0.9086 (mt) REVERT: v 297 GLU cc_start: 0.9342 (tp30) cc_final: 0.9039 (tp30) REVERT: v 300 LEU cc_start: 0.9750 (mt) cc_final: 0.9498 (mt) REVERT: v 301 GLU cc_start: 0.7639 (mt-10) cc_final: 0.7121 (mt-10) REVERT: v 355 PHE cc_start: 0.9657 (t80) cc_final: 0.9375 (t80) REVERT: v 359 LYS cc_start: 0.9644 (mtmt) cc_final: 0.9399 (mtmm) REVERT: v 377 ILE cc_start: 0.9267 (mm) cc_final: 0.8880 (tp) REVERT: v 404 PHE cc_start: 0.9171 (m-80) cc_final: 0.8853 (m-80) REVERT: v 405 SER cc_start: 0.9419 (t) cc_final: 0.9065 (p) REVERT: v 452 PRO cc_start: 0.9266 (Cg_endo) cc_final: 0.9039 (Cg_exo) REVERT: v 460 ARG cc_start: 0.8526 (mmm-85) cc_final: 0.8003 (mmm-85) REVERT: v 471 MET cc_start: 0.8979 (ttt) cc_final: 0.8566 (ttt) REVERT: v 473 PHE cc_start: 0.9045 (m-80) cc_final: 0.8407 (m-80) REVERT: v 497 GLN cc_start: 0.8531 (mt0) cc_final: 0.8268 (mm110) REVERT: v 513 PHE cc_start: 0.9316 (m-80) cc_final: 0.8978 (m-80) REVERT: v 517 TYR cc_start: 0.9007 (m-80) cc_final: 0.8759 (m-80) REVERT: w 109 PHE cc_start: 0.6955 (m-80) cc_final: 0.6297 (m-80) REVERT: w 115 GLN cc_start: 0.9055 (mt0) cc_final: 0.8780 (mt0) REVERT: w 125 PHE cc_start: 0.7711 (m-10) cc_final: 0.7493 (m-10) REVERT: w 178 TYR cc_start: 0.9120 (m-80) cc_final: 0.8487 (m-80) REVERT: w 256 LYS cc_start: 0.9361 (pttt) cc_final: 0.8581 (ptpt) REVERT: w 265 GLN cc_start: 0.9114 (pt0) cc_final: 0.8590 (pt0) REVERT: w 272 ILE cc_start: 0.7968 (mt) cc_final: 0.7764 (mt) REVERT: w 294 LEU cc_start: 0.9296 (tp) cc_final: 0.8471 (tp) REVERT: w 309 TRP cc_start: 0.9166 (m100) cc_final: 0.8093 (m100) REVERT: w 311 ASN cc_start: 0.9770 (m110) cc_final: 0.9546 (m-40) REVERT: w 357 ILE cc_start: 0.9427 (mm) cc_final: 0.9148 (mm) REVERT: w 359 LYS cc_start: 0.9248 (tttp) cc_final: 0.9015 (tttt) REVERT: w 376 ILE cc_start: 0.9351 (mt) cc_final: 0.8852 (tp) REVERT: w 377 ILE cc_start: 0.8637 (mp) cc_final: 0.8116 (tp) REVERT: w 384 ASN cc_start: 0.9374 (m-40) cc_final: 0.9053 (m-40) REVERT: w 391 THR cc_start: 0.9125 (p) cc_final: 0.8893 (p) REVERT: w 404 PHE cc_start: 0.9261 (m-80) cc_final: 0.8746 (m-80) REVERT: w 410 LYS cc_start: 0.8981 (mmtt) cc_final: 0.8671 (mmtt) REVERT: w 424 TYR cc_start: 0.7545 (m-10) cc_final: 0.7180 (m-10) REVERT: w 460 ARG cc_start: 0.8989 (pmt-80) cc_final: 0.8372 (ptp-170) REVERT: w 471 MET cc_start: 0.7460 (tmm) cc_final: 0.7035 (tmm) REVERT: w 473 PHE cc_start: 0.8687 (m-80) cc_final: 0.7320 (m-80) REVERT: w 481 ILE cc_start: 0.9333 (pt) cc_final: 0.9065 (pt) REVERT: w 487 SER cc_start: 0.8678 (m) cc_final: 0.8460 (m) REVERT: w 516 VAL cc_start: 0.9497 (t) cc_final: 0.9275 (t) REVERT: w 517 TYR cc_start: 0.9490 (m-10) cc_final: 0.9285 (m-10) REVERT: x 83 GLN cc_start: 0.8913 (tm-30) cc_final: 0.8353 (tm-30) REVERT: x 96 MET cc_start: 0.9115 (mmp) cc_final: 0.8729 (mmm) REVERT: x 105 ASN cc_start: 0.7932 (m110) cc_final: 0.7699 (m110) REVERT: x 117 MET cc_start: 0.8861 (mpp) cc_final: 0.8626 (mpp) REVERT: x 125 PHE cc_start: 0.8011 (m-80) cc_final: 0.7391 (m-80) REVERT: x 147 MET cc_start: 0.8599 (mmm) cc_final: 0.8387 (mmm) REVERT: x 153 MET cc_start: 0.7725 (ptt) cc_final: 0.7239 (ptt) REVERT: x 166 LEU cc_start: 0.9503 (mt) cc_final: 0.9231 (mt) REVERT: x 176 ASP cc_start: 0.8699 (t0) cc_final: 0.8465 (t0) REVERT: x 178 TYR cc_start: 0.8568 (m-80) cc_final: 0.7985 (m-80) REVERT: x 182 PHE cc_start: 0.8389 (m-80) cc_final: 0.7698 (m-10) REVERT: x 199 ASP cc_start: 0.7782 (t0) cc_final: 0.7326 (t0) REVERT: x 204 ASP cc_start: 0.9455 (t0) cc_final: 0.9226 (t70) REVERT: x 212 ILE cc_start: 0.9787 (mt) cc_final: 0.9454 (mt) REVERT: x 213 LYS cc_start: 0.9551 (mttt) cc_final: 0.8771 (mttt) REVERT: x 217 GLU cc_start: 0.8790 (mm-30) cc_final: 0.8440 (mm-30) REVERT: x 228 MET cc_start: 0.8664 (mtp) cc_final: 0.7910 (mtp) REVERT: x 234 GLU cc_start: 0.8436 (tt0) cc_final: 0.8134 (tt0) REVERT: x 249 GLU cc_start: 0.8795 (mt-10) cc_final: 0.8200 (mt-10) REVERT: x 259 ILE cc_start: 0.9385 (pt) cc_final: 0.9160 (pt) REVERT: x 262 LYS cc_start: 0.9255 (mttt) cc_final: 0.8954 (mttt) REVERT: x 267 LYS cc_start: 0.8900 (ptmt) cc_final: 0.8601 (ptmt) REVERT: x 302 ILE cc_start: 0.9557 (mt) cc_final: 0.9337 (mt) REVERT: x 303 ASN cc_start: 0.8821 (t160) cc_final: 0.8555 (t160) REVERT: x 311 ASN cc_start: 0.9769 (m-40) cc_final: 0.8959 (m-40) REVERT: x 312 TYR cc_start: 0.9385 (t80) cc_final: 0.9134 (t80) REVERT: x 318 LYS cc_start: 0.8945 (ttmt) cc_final: 0.8220 (ttmm) REVERT: x 321 MET cc_start: 0.9505 (ptp) cc_final: 0.9246 (ptt) REVERT: x 336 ASP cc_start: 0.8874 (t0) cc_final: 0.8498 (t0) REVERT: x 360 GLU cc_start: 0.9600 (mm-30) cc_final: 0.8998 (mm-30) REVERT: x 381 ASN cc_start: 0.8845 (p0) cc_final: 0.8549 (p0) REVERT: x 393 ILE cc_start: 0.9157 (pt) cc_final: 0.8611 (tp) REVERT: x 398 GLN cc_start: 0.8754 (tm-30) cc_final: 0.8374 (tm-30) REVERT: x 410 LYS cc_start: 0.9211 (mmmm) cc_final: 0.8885 (mmmm) REVERT: x 412 VAL cc_start: 0.9281 (t) cc_final: 0.8995 (t) REVERT: x 430 LYS cc_start: 0.8780 (mmmt) cc_final: 0.8423 (mmmm) REVERT: x 442 ASN cc_start: 0.8367 (t0) cc_final: 0.7953 (t0) REVERT: x 459 LEU cc_start: 0.8932 (mt) cc_final: 0.8630 (mt) REVERT: x 463 ASP cc_start: 0.8331 (t0) cc_final: 0.7983 (t0) REVERT: x 476 ARG cc_start: 0.7097 (ttm170) cc_final: 0.6492 (ttm170) REVERT: x 481 ILE cc_start: 0.8896 (pt) cc_final: 0.8534 (pt) REVERT: x 486 GLU cc_start: 0.9208 (tm-30) cc_final: 0.8966 (tm-30) REVERT: x 500 MET cc_start: 0.7500 (mtm) cc_final: 0.6499 (mpp) REVERT: x 514 ARG cc_start: 0.8420 (mmt90) cc_final: 0.7975 (tpp80) REVERT: y 98 MET cc_start: 0.7609 (ptt) cc_final: 0.7262 (ptt) REVERT: y 103 ILE cc_start: 0.9187 (mt) cc_final: 0.8978 (mt) REVERT: y 112 CYS cc_start: 0.9488 (m) cc_final: 0.9023 (p) REVERT: y 115 GLN cc_start: 0.9094 (tp40) cc_final: 0.8848 (tp-100) REVERT: y 117 MET cc_start: 0.7217 (ttt) cc_final: 0.6644 (ttt) REVERT: y 123 GLN cc_start: 0.9187 (pt0) cc_final: 0.8661 (pt0) REVERT: y 134 ASP cc_start: 0.9178 (t0) cc_final: 0.8862 (t0) REVERT: y 153 MET cc_start: 0.7738 (mtp) cc_final: 0.6264 (mmm) REVERT: y 154 PHE cc_start: 0.8800 (t80) cc_final: 0.7958 (t80) REVERT: y 180 HIS cc_start: 0.8749 (t70) cc_final: 0.8406 (t70) REVERT: y 183 GLN cc_start: 0.8851 (tp-100) cc_final: 0.8065 (tp-100) REVERT: y 188 VAL cc_start: 0.8534 (t) cc_final: 0.8102 (t) REVERT: y 189 TYR cc_start: 0.8241 (m-80) cc_final: 0.8038 (m-80) REVERT: y 216 MET cc_start: 0.9680 (ptp) cc_final: 0.9417 (ptp) REVERT: y 228 MET cc_start: 0.8674 (tpp) cc_final: 0.8000 (tpp) REVERT: y 252 PHE cc_start: 0.9390 (p90) cc_final: 0.8982 (p90) REVERT: y 273 GLU cc_start: 0.9229 (mp0) cc_final: 0.8908 (mp0) REVERT: y 313 SER cc_start: 0.9398 (p) cc_final: 0.8843 (t) REVERT: y 348 GLU cc_start: 0.9151 (tt0) cc_final: 0.8050 (tm-30) REVERT: y 363 GLU cc_start: 0.9124 (tp30) cc_final: 0.8470 (tp30) REVERT: y 370 ARG cc_start: 0.8900 (mmm-85) cc_final: 0.8548 (mmm-85) REVERT: y 374 ASN cc_start: 0.9158 (p0) cc_final: 0.8875 (p0) REVERT: y 375 PHE cc_start: 0.9333 (p90) cc_final: 0.8657 (p90) REVERT: y 404 PHE cc_start: 0.8907 (m-80) cc_final: 0.7947 (m-80) REVERT: y 424 TYR cc_start: 0.8828 (m-80) cc_final: 0.8206 (m-80) REVERT: y 426 ASP cc_start: 0.9145 (t0) cc_final: 0.8728 (t0) REVERT: y 432 ASP cc_start: 0.6072 (t0) cc_final: 0.5620 (t70) REVERT: y 438 TYR cc_start: 0.9273 (t80) cc_final: 0.8957 (t80) REVERT: y 453 TYR cc_start: 0.7423 (t80) cc_final: 0.6641 (t80) REVERT: y 463 ASP cc_start: 0.9227 (t0) cc_final: 0.8892 (t0) REVERT: y 471 MET cc_start: 0.8361 (tpt) cc_final: 0.7941 (tpp) REVERT: y 481 ILE cc_start: 0.9292 (tp) cc_final: 0.8803 (tp) REVERT: y 497 GLN cc_start: 0.8819 (tp-100) cc_final: 0.8325 (tm-30) REVERT: y 509 LYS cc_start: 0.8984 (mttp) cc_final: 0.8732 (mtmt) REVERT: z 148 TYR cc_start: 0.8902 (m-80) cc_final: 0.7833 (m-80) REVERT: z 153 MET cc_start: 0.8926 (mpp) cc_final: 0.8379 (mpp) REVERT: z 157 GLN cc_start: 0.8917 (tt0) cc_final: 0.7670 (mt0) REVERT: z 166 LEU cc_start: 0.8684 (mt) cc_final: 0.8444 (mt) REVERT: z 173 THR cc_start: 0.9172 (m) cc_final: 0.8840 (p) REVERT: z 176 ASP cc_start: 0.8710 (m-30) cc_final: 0.7999 (m-30) REVERT: z 189 TYR cc_start: 0.8432 (m-80) cc_final: 0.7912 (m-80) REVERT: z 199 ASP cc_start: 0.8742 (t0) cc_final: 0.8394 (t0) REVERT: z 250 MET cc_start: 0.8410 (mtp) cc_final: 0.7434 (ptm) REVERT: z 272 ILE cc_start: 0.8436 (pt) cc_final: 0.8214 (mp) REVERT: z 300 LEU cc_start: 0.9567 (mt) cc_final: 0.9248 (mt) REVERT: z 318 LYS cc_start: 0.9489 (pttp) cc_final: 0.9254 (tmmt) REVERT: z 356 GLN cc_start: 0.9885 (tp-100) cc_final: 0.8869 (tp-100) REVERT: z 360 GLU cc_start: 0.9566 (mm-30) cc_final: 0.8627 (mm-30) REVERT: z 367 GLN cc_start: 0.8474 (mm110) cc_final: 0.7846 (mm110) REVERT: z 374 ASN cc_start: 0.9573 (p0) cc_final: 0.9196 (p0) REVERT: z 384 ASN cc_start: 0.9628 (m-40) cc_final: 0.9379 (m-40) REVERT: z 426 ASP cc_start: 0.8711 (t70) cc_final: 0.7975 (p0) REVERT: z 432 ASP cc_start: 0.7773 (p0) cc_final: 0.7235 (p0) REVERT: z 442 ASN cc_start: 0.8865 (t0) cc_final: 0.8651 (t0) REVERT: z 444 MET cc_start: 0.9327 (mmp) cc_final: 0.8870 (mmp) REVERT: z 479 ILE cc_start: 0.7817 (pt) cc_final: 0.7038 (mm) REVERT: z 518 VAL cc_start: 0.9018 (p) cc_final: 0.8622 (p) REVERT: A 72 HIS cc_start: 0.8229 (m90) cc_final: 0.7525 (m170) REVERT: A 78 ASN cc_start: 0.9388 (m110) cc_final: 0.9044 (p0) REVERT: A 98 MET cc_start: 0.5215 (ptm) cc_final: 0.4944 (ptm) REVERT: A 115 GLN cc_start: 0.9513 (tm-30) cc_final: 0.9179 (tm-30) REVERT: A 134 ASP cc_start: 0.8500 (t70) cc_final: 0.8299 (t0) REVERT: A 147 MET cc_start: 0.9436 (mtm) cc_final: 0.8678 (mtm) REVERT: A 182 PHE cc_start: 0.8992 (m-80) cc_final: 0.8735 (m-80) REVERT: A 199 ASP cc_start: 0.7914 (t0) cc_final: 0.7540 (t0) REVERT: A 228 MET cc_start: 0.8982 (mmp) cc_final: 0.8486 (mmm) REVERT: A 231 SER cc_start: 0.9305 (p) cc_final: 0.8999 (m) REVERT: A 247 TRP cc_start: 0.7451 (m-90) cc_final: 0.7250 (m-90) REVERT: A 257 GLN cc_start: 0.8742 (mm-40) cc_final: 0.8175 (mm-40) REVERT: A 297 GLU cc_start: 0.9401 (tp30) cc_final: 0.9035 (tp30) REVERT: A 299 MET cc_start: 0.9658 (mmp) cc_final: 0.9350 (mmm) REVERT: A 309 TRP cc_start: 0.8901 (m100) cc_final: 0.7822 (m100) REVERT: A 315 GLN cc_start: 0.7002 (mt0) cc_final: 0.6525 (mt0) REVERT: A 348 GLU cc_start: 0.9002 (mt-10) cc_final: 0.8693 (tt0) REVERT: A 363 GLU cc_start: 0.9248 (tp30) cc_final: 0.8340 (tp30) REVERT: A 410 LYS cc_start: 0.9493 (mmmm) cc_final: 0.9044 (tptp) REVERT: A 430 LYS cc_start: 0.7753 (tmtt) cc_final: 0.7359 (tmtt) REVERT: A 433 TYR cc_start: 0.7138 (p90) cc_final: 0.6908 (p90) REVERT: A 435 THR cc_start: 0.9478 (p) cc_final: 0.8900 (m) REVERT: A 474 LYS cc_start: 0.9298 (mttt) cc_final: 0.8863 (mmtt) REVERT: A 486 GLU cc_start: 0.7470 (pp20) cc_final: 0.7218 (pp20) REVERT: A 504 LEU cc_start: 0.8937 (mm) cc_final: 0.8617 (pp) REVERT: A 507 LEU cc_start: 0.7663 (tp) cc_final: 0.7392 (tp) REVERT: B 101 ARG cc_start: 0.9290 (mmt90) cc_final: 0.7952 (tpp-160) REVERT: B 107 ILE cc_start: 0.8826 (pt) cc_final: 0.8554 (pt) REVERT: B 145 HIS cc_start: 0.9058 (t-90) cc_final: 0.8366 (t-90) REVERT: B 147 MET cc_start: 0.9004 (mmm) cc_final: 0.8530 (mmm) REVERT: B 148 TYR cc_start: 0.8780 (m-80) cc_final: 0.7917 (m-80) REVERT: B 151 ASP cc_start: 0.8099 (t0) cc_final: 0.7330 (t0) REVERT: B 163 PHE cc_start: 0.7567 (m-10) cc_final: 0.7346 (m-80) REVERT: B 172 THR cc_start: 0.8259 (p) cc_final: 0.7201 (p) REVERT: B 178 TYR cc_start: 0.7706 (m-80) cc_final: 0.6793 (m-80) REVERT: B 182 PHE cc_start: 0.9129 (m-10) cc_final: 0.8853 (m-10) REVERT: B 198 ILE cc_start: 0.9234 (mt) cc_final: 0.8692 (tp) REVERT: B 213 LYS cc_start: 0.9405 (ptpt) cc_final: 0.9122 (mmtt) REVERT: B 217 GLU cc_start: 0.8062 (mm-30) cc_final: 0.7542 (mm-30) REVERT: B 228 MET cc_start: 0.5475 (ttp) cc_final: 0.5193 (ttp) REVERT: B 236 GLN cc_start: 0.8675 (tp40) cc_final: 0.8135 (tp40) REVERT: B 250 MET cc_start: 0.8090 (mtp) cc_final: 0.7473 (mmm) REVERT: B 297 GLU cc_start: 0.9225 (mm-30) cc_final: 0.8855 (mm-30) REVERT: B 303 ASN cc_start: 0.8530 (t160) cc_final: 0.8230 (t0) REVERT: B 304 ARG cc_start: 0.8999 (mmm-85) cc_final: 0.8331 (tpp80) REVERT: B 318 LYS cc_start: 0.9274 (tppt) cc_final: 0.8782 (tppt) REVERT: B 321 MET cc_start: 0.8633 (mmp) cc_final: 0.7914 (mmm) REVERT: B 336 ASP cc_start: 0.8283 (t0) cc_final: 0.7822 (t70) REVERT: B 356 GLN cc_start: 0.9500 (tp-100) cc_final: 0.9184 (tp40) REVERT: B 363 GLU cc_start: 0.9462 (tp30) cc_final: 0.9037 (tp30) REVERT: B 377 ILE cc_start: 0.9174 (mt) cc_final: 0.8899 (tp) REVERT: B 404 PHE cc_start: 0.8530 (m-80) cc_final: 0.8155 (m-80) REVERT: B 413 PHE cc_start: 0.8988 (t80) cc_final: 0.8597 (t80) REVERT: B 426 ASP cc_start: 0.8402 (t0) cc_final: 0.7950 (t0) REVERT: B 442 ASN cc_start: 0.9254 (t0) cc_final: 0.8873 (p0) REVERT: B 463 ASP cc_start: 0.8919 (t70) cc_final: 0.8682 (t70) REVERT: B 466 ASN cc_start: 0.9012 (p0) cc_final: 0.8768 (p0) REVERT: B 482 ASN cc_start: 0.8117 (t0) cc_final: 0.7860 (t0) REVERT: B 490 GLN cc_start: 0.8853 (mp10) cc_final: 0.8640 (mp10) REVERT: B 505 ASN cc_start: 0.9473 (m-40) cc_final: 0.9154 (m-40) REVERT: B 513 PHE cc_start: 0.8468 (m-80) cc_final: 0.8235 (m-80) REVERT: B 518 VAL cc_start: 0.9682 (t) cc_final: 0.9421 (t) REVERT: C 96 MET cc_start: 0.8490 (mtm) cc_final: 0.8286 (mtm) REVERT: C 98 MET cc_start: 0.5981 (mtp) cc_final: 0.5645 (mtp) REVERT: C 105 ASN cc_start: 0.8378 (m110) cc_final: 0.7766 (m-40) REVERT: C 119 SER cc_start: 0.9499 (p) cc_final: 0.9075 (m) REVERT: C 123 GLN cc_start: 0.9350 (pt0) cc_final: 0.8774 (pt0) REVERT: C 127 LEU cc_start: 0.8654 (tp) cc_final: 0.8405 (tp) REVERT: C 145 HIS cc_start: 0.9250 (t-90) cc_final: 0.8682 (t-90) REVERT: C 209 ASP cc_start: 0.9191 (t70) cc_final: 0.8872 (m-30) REVERT: C 211 GLU cc_start: 0.9025 (tp30) cc_final: 0.7783 (tp30) REVERT: C 212 ILE cc_start: 0.9776 (mm) cc_final: 0.9549 (mm) REVERT: C 213 LYS cc_start: 0.9483 (mtmt) cc_final: 0.8990 (mmmt) REVERT: C 215 GLN cc_start: 0.8262 (mm-40) cc_final: 0.7688 (mm110) REVERT: C 224 ILE cc_start: 0.9183 (pt) cc_final: 0.8878 (mm) REVERT: C 239 PHE cc_start: 0.3286 (m-80) cc_final: 0.2910 (m-80) REVERT: C 249 GLU cc_start: 0.7492 (mt-10) cc_final: 0.6513 (mt-10) REVERT: C 253 ARG cc_start: 0.8315 (ttm170) cc_final: 0.8049 (ttp-170) REVERT: C 265 GLN cc_start: 0.8012 (pm20) cc_final: 0.6835 (pm20) REVERT: C 273 GLU cc_start: 0.9199 (mp0) cc_final: 0.8968 (pm20) REVERT: C 276 GLN cc_start: 0.9341 (mm-40) cc_final: 0.9109 (mm-40) REVERT: C 287 ASP cc_start: 0.9388 (p0) cc_final: 0.8935 (t0) REVERT: C 312 TYR cc_start: 0.9326 (t80) cc_final: 0.9051 (t80) REVERT: C 321 MET cc_start: 0.8947 (pmm) cc_final: 0.8642 (pmm) REVERT: C 345 TRP cc_start: 0.9510 (t60) cc_final: 0.8986 (t60) REVERT: C 356 GLN cc_start: 0.9638 (tp40) cc_final: 0.9116 (tp-100) REVERT: C 359 LYS cc_start: 0.9543 (mtpt) cc_final: 0.8988 (mtpt) REVERT: C 452 PRO cc_start: 0.9005 (Cg_endo) cc_final: 0.7848 (Cg_exo) REVERT: C 481 ILE cc_start: 0.9332 (pt) cc_final: 0.8894 (pt) REVERT: D 83 GLN cc_start: 0.8515 (tm-30) cc_final: 0.8267 (tm-30) REVERT: D 100 ARG cc_start: 0.8735 (ttm-80) cc_final: 0.8490 (ttm-80) REVERT: D 105 ASN cc_start: 0.8408 (t0) cc_final: 0.8052 (t0) REVERT: D 106 LEU cc_start: 0.8934 (pp) cc_final: 0.8703 (pp) REVERT: D 109 PHE cc_start: 0.8863 (p90) cc_final: 0.8238 (p90) REVERT: D 112 CYS cc_start: 0.9401 (m) cc_final: 0.9157 (m) REVERT: D 166 LEU cc_start: 0.9039 (mt) cc_final: 0.8787 (mt) REVERT: D 199 ASP cc_start: 0.8805 (t0) cc_final: 0.8576 (t0) REVERT: D 213 LYS cc_start: 0.9215 (mttt) cc_final: 0.8890 (mttt) REVERT: D 214 LYS cc_start: 0.9208 (mttt) cc_final: 0.8996 (mttp) REVERT: D 226 GLU cc_start: 0.8499 (tt0) cc_final: 0.8119 (tt0) REVERT: D 228 MET cc_start: 0.8302 (ttt) cc_final: 0.7569 (ttt) REVERT: D 250 MET cc_start: 0.9324 (pmm) cc_final: 0.8967 (pmm) REVERT: D 264 ARG cc_start: 0.4453 (mtt90) cc_final: 0.3681 (ttm-80) REVERT: D 273 GLU cc_start: 0.9718 (mp0) cc_final: 0.9491 (mp0) REVERT: D 309 TRP cc_start: 0.9088 (m100) cc_final: 0.8038 (m100) REVERT: D 332 PHE cc_start: 0.8763 (t80) cc_final: 0.8353 (t80) REVERT: D 341 ARG cc_start: 0.9226 (mmm160) cc_final: 0.8944 (mmm160) REVERT: D 345 TRP cc_start: 0.9300 (p-90) cc_final: 0.8831 (p-90) REVERT: D 348 GLU cc_start: 0.8643 (mt-10) cc_final: 0.8129 (mt-10) REVERT: D 356 GLN cc_start: 0.9536 (tp40) cc_final: 0.9155 (tm-30) REVERT: D 372 GLU cc_start: 0.8919 (tt0) cc_final: 0.8545 (tt0) REVERT: D 386 LEU cc_start: 0.9757 (mt) cc_final: 0.9525 (mt) REVERT: D 391 THR cc_start: 0.9525 (p) cc_final: 0.9265 (t) REVERT: D 404 PHE cc_start: 0.8835 (m-80) cc_final: 0.8531 (m-80) REVERT: D 481 ILE cc_start: 0.8433 (mm) cc_final: 0.8117 (tp) REVERT: D 505 ASN cc_start: 0.9386 (t0) cc_final: 0.9099 (t0) REVERT: D 513 PHE cc_start: 0.9396 (m-80) cc_final: 0.8477 (m-80) REVERT: E 8 LEU cc_start: 0.9293 (mt) cc_final: 0.9089 (mt) REVERT: E 15 MET cc_start: 0.9123 (mtm) cc_final: 0.8851 (ptm) REVERT: E 16 ASP cc_start: 0.9346 (t70) cc_final: 0.9090 (m-30) REVERT: E 27 ASP cc_start: 0.8405 (m-30) cc_final: 0.7476 (p0) REVERT: E 36 LEU cc_start: 0.7577 (tp) cc_final: 0.6986 (mt) REVERT: E 37 ASP cc_start: 0.8933 (p0) cc_final: 0.8393 (t0) REVERT: E 69 MET cc_start: 0.8077 (ptt) cc_final: 0.7580 (tmm) REVERT: E 79 TYR cc_start: 0.9217 (m-10) cc_final: 0.8972 (m-80) REVERT: E 112 ASN cc_start: 0.9428 (t0) cc_final: 0.8919 (p0) REVERT: E 125 MET cc_start: 0.9497 (mmp) cc_final: 0.9273 (mmp) REVERT: E 146 HIS cc_start: 0.8994 (m-70) cc_final: 0.8688 (m-70) REVERT: E 161 ILE cc_start: 0.7712 (mm) cc_final: 0.7235 (mt) REVERT: E 184 TYR cc_start: 0.7639 (m-10) cc_final: 0.7260 (m-10) REVERT: E 206 PHE cc_start: 0.8565 (p90) cc_final: 0.8332 (p90) REVERT: E 330 MET cc_start: 0.7907 (ptm) cc_final: 0.7507 (ptm) REVERT: E 366 ARG cc_start: 0.8936 (ttp-170) cc_final: 0.8538 (ttp-170) REVERT: E 371 MET cc_start: 0.9405 (mmp) cc_final: 0.8945 (mmp) REVERT: E 399 ASP cc_start: 0.9238 (m-30) cc_final: 0.8838 (m-30) REVERT: E 403 PHE cc_start: 0.8769 (m-10) cc_final: 0.8424 (m-10) REVERT: E 457 LEU cc_start: 0.9537 (mt) cc_final: 0.9322 (mt) REVERT: E 470 LEU cc_start: 0.9279 (mt) cc_final: 0.9033 (mt) REVERT: E 472 MET cc_start: 0.9423 (mtm) cc_final: 0.9206 (mtm) REVERT: E 476 PHE cc_start: 0.9348 (m-80) cc_final: 0.8290 (m-80) REVERT: F 1 MET cc_start: 0.7623 (pmm) cc_final: 0.6843 (pmm) REVERT: F 15 MET cc_start: 0.9444 (mtp) cc_final: 0.9161 (mmp) REVERT: F 26 GLU cc_start: 0.8674 (mp0) cc_final: 0.8365 (mp0) REVERT: F 31 ILE cc_start: 0.8019 (tt) cc_final: 0.7616 (tt) REVERT: F 83 MET cc_start: 0.7587 (tmm) cc_final: 0.7280 (tmm) REVERT: F 113 LEU cc_start: 0.7398 (mt) cc_final: 0.7140 (mt) REVERT: F 132 ASP cc_start: 0.8981 (t70) cc_final: 0.8722 (t0) REVERT: F 146 HIS cc_start: 0.9263 (m-70) cc_final: 0.8793 (m-70) REVERT: F 150 TRP cc_start: 0.8064 (t60) cc_final: 0.7412 (t60) REVERT: F 186 ARG cc_start: 0.6524 (mtp180) cc_final: 0.6084 (mtt180) REVERT: F 221 MET cc_start: -0.0101 (ptp) cc_final: -0.0403 (pmm) REVERT: F 230 ILE cc_start: 0.8713 (mm) cc_final: 0.8469 (mm) REVERT: F 236 VAL cc_start: 0.8807 (m) cc_final: 0.8289 (m) REVERT: F 239 HIS cc_start: 0.8598 (p90) cc_final: 0.8062 (p-80) REVERT: F 259 LYS cc_start: 0.7719 (tttp) cc_final: 0.7215 (tppt) REVERT: F 301 MET cc_start: 0.4958 (mmm) cc_final: 0.4396 (mmm) REVERT: F 365 PHE cc_start: 0.9579 (m-80) cc_final: 0.9216 (m-80) REVERT: F 371 MET cc_start: 0.7937 (mtp) cc_final: 0.7495 (mtp) REVERT: F 373 LEU cc_start: 0.9329 (mt) cc_final: 0.8802 (mt) REVERT: F 408 ARG cc_start: 0.9577 (tpp80) cc_final: 0.9087 (ttt-90) REVERT: F 409 GLU cc_start: 0.9781 (mt-10) cc_final: 0.9529 (mt-10) REVERT: F 420 ASP cc_start: 0.9309 (t70) cc_final: 0.9065 (t70) REVERT: F 425 ASN cc_start: 0.9261 (m-40) cc_final: 0.8585 (p0) REVERT: F 427 LEU cc_start: 0.9233 (mm) cc_final: 0.9017 (mm) REVERT: F 436 GLU cc_start: 0.8693 (tp30) cc_final: 0.8406 (tp30) REVERT: F 445 LYS cc_start: 0.8961 (mtpp) cc_final: 0.8538 (mmtt) REVERT: F 459 GLU cc_start: 0.8644 (mt-10) cc_final: 0.8289 (mt-10) REVERT: F 464 GLU cc_start: 0.8880 (pp20) cc_final: 0.8574 (pp20) REVERT: F 465 ARG cc_start: 0.8484 (mtt180) cc_final: 0.8133 (ttm170) REVERT: F 472 MET cc_start: 0.8593 (mmm) cc_final: 0.7928 (mtp) REVERT: F 479 LYS cc_start: 0.6732 (mttt) cc_final: 0.6253 (tptt) REVERT: G 8 LEU cc_start: 0.9453 (pt) cc_final: 0.8881 (mt) REVERT: G 20 PHE cc_start: 0.8042 (m-80) cc_final: 0.7820 (m-80) REVERT: G 27 ASP cc_start: 0.6828 (p0) cc_final: 0.6177 (p0) REVERT: G 31 ILE cc_start: 0.7688 (mt) cc_final: 0.7115 (mm) REVERT: G 42 GLU cc_start: 0.8346 (pp20) cc_final: 0.7726 (tm-30) REVERT: G 48 ASN cc_start: 0.8597 (t0) cc_final: 0.8351 (t0) REVERT: G 145 ASP cc_start: 0.7910 (m-30) cc_final: 0.7689 (m-30) REVERT: G 239 HIS cc_start: 0.7857 (p-80) cc_final: 0.7409 (p-80) REVERT: G 259 LYS cc_start: 0.9058 (tttt) cc_final: 0.8415 (tppt) REVERT: G 262 ASN cc_start: 0.9035 (m-40) cc_final: 0.8621 (t0) REVERT: G 263 GLN cc_start: 0.9318 (mt0) cc_final: 0.9084 (mt0) REVERT: G 265 LYS cc_start: 0.9121 (mtpt) cc_final: 0.8702 (mmmt) REVERT: G 266 LEU cc_start: 0.8601 (mt) cc_final: 0.8167 (mt) REVERT: G 283 ARG cc_start: 0.8183 (mpp80) cc_final: 0.6884 (ptt180) REVERT: G 292 MET cc_start: 0.3924 (tpp) cc_final: 0.3253 (tmm) REVERT: G 308 MET cc_start: 0.5811 (mpp) cc_final: 0.5240 (mpp) REVERT: G 371 MET cc_start: 0.8609 (ptm) cc_final: 0.8300 (tmm) REVERT: G 406 PHE cc_start: 0.8936 (t80) cc_final: 0.8612 (t80) REVERT: G 409 GLU cc_start: 0.9152 (mt-10) cc_final: 0.8838 (mt-10) REVERT: G 413 LYS cc_start: 0.9670 (mttt) cc_final: 0.9261 (mtpt) REVERT: G 416 GLU cc_start: 0.8927 (tp30) cc_final: 0.8609 (tp30) REVERT: G 419 LEU cc_start: 0.9629 (mt) cc_final: 0.9358 (mt) REVERT: G 437 TRP cc_start: 0.8615 (t-100) cc_final: 0.8411 (t-100) REVERT: G 442 ASN cc_start: 0.8250 (m110) cc_final: 0.7849 (m110) REVERT: G 443 ASN cc_start: 0.9411 (m-40) cc_final: 0.8482 (p0) REVERT: G 449 HIS cc_start: 0.8440 (t70) cc_final: 0.7639 (t70) REVERT: G 463 LEU cc_start: 0.9542 (tp) cc_final: 0.9321 (tp) REVERT: G 466 ARG cc_start: 0.8599 (mtt180) cc_final: 0.7520 (ttm110) REVERT: G 469 MET cc_start: 0.8492 (mmp) cc_final: 0.7996 (mmp) REVERT: G 480 TYR cc_start: 0.8450 (m-80) cc_final: 0.8121 (m-80) REVERT: G 481 ILE cc_start: 0.7205 (mm) cc_final: 0.6975 (mm) REVERT: G 490 ILE cc_start: 0.8493 (pt) cc_final: 0.7851 (pt) REVERT: G 507 GLU cc_start: 0.8623 (mt-10) cc_final: 0.8259 (mt-10) REVERT: H 81 ASN cc_start: 0.8936 (m-40) cc_final: 0.8661 (t0) REVERT: H 98 ASP cc_start: 0.9372 (m-30) cc_final: 0.9068 (p0) REVERT: H 102 TYR cc_start: 0.7462 (m-10) cc_final: 0.7061 (m-80) REVERT: H 103 GLU cc_start: 0.7582 (mt-10) cc_final: 0.6826 (mp0) REVERT: H 112 ASN cc_start: 0.8352 (t0) cc_final: 0.8043 (t0) REVERT: H 113 LEU cc_start: 0.7926 (mp) cc_final: 0.5588 (pp) REVERT: H 126 MET cc_start: 0.9277 (ptp) cc_final: 0.8667 (ppp) REVERT: H 127 LEU cc_start: 0.9448 (mt) cc_final: 0.8979 (mt) REVERT: H 135 ASN cc_start: 0.8655 (t0) cc_final: 0.8408 (m-40) REVERT: H 146 HIS cc_start: 0.8755 (m-70) cc_final: 0.8319 (m-70) REVERT: H 159 HIS cc_start: 0.9380 (t-90) cc_final: 0.9150 (t-90) REVERT: H 202 TYR cc_start: 0.5950 (m-10) cc_final: 0.5493 (m-80) REVERT: H 212 HIS cc_start: 0.7938 (m-70) cc_final: 0.7662 (m-70) REVERT: H 251 ILE cc_start: 0.9280 (pt) cc_final: 0.9072 (pt) REVERT: H 263 GLN cc_start: 0.8805 (mt0) cc_final: 0.8496 (mt0) REVERT: H 275 ARG cc_start: 0.9436 (tpt-90) cc_final: 0.9175 (ttt180) REVERT: H 292 MET cc_start: 0.6304 (mtt) cc_final: 0.6028 (ptp) REVERT: H 308 MET cc_start: 0.2507 (mmt) cc_final: 0.1933 (mmt) REVERT: H 359 MET cc_start: 0.5911 (mmt) cc_final: 0.5540 (mmt) REVERT: H 363 ARG cc_start: 0.9107 (mtp180) cc_final: 0.8540 (ttm110) REVERT: H 365 PHE cc_start: 0.9346 (m-80) cc_final: 0.8781 (m-80) REVERT: H 371 MET cc_start: 0.9163 (ttp) cc_final: 0.8873 (ttp) REVERT: H 403 PHE cc_start: 0.9282 (t80) cc_final: 0.8844 (t80) REVERT: H 407 ILE cc_start: 0.9527 (mm) cc_final: 0.8814 (mm) REVERT: H 409 GLU cc_start: 0.9509 (mt-10) cc_final: 0.9232 (mt-10) REVERT: H 413 LYS cc_start: 0.9141 (mmtt) cc_final: 0.8484 (mmtt) REVERT: H 414 PHE cc_start: 0.9195 (t80) cc_final: 0.8622 (t80) REVERT: H 419 LEU cc_start: 0.9553 (mm) cc_final: 0.9333 (mm) REVERT: H 420 ASP cc_start: 0.9345 (t70) cc_final: 0.9091 (t70) REVERT: H 429 LYS cc_start: 0.9366 (tmmt) cc_final: 0.9127 (ptpp) REVERT: H 431 ILE cc_start: 0.7323 (mt) cc_final: 0.6785 (mt) REVERT: H 449 HIS cc_start: 0.7326 (t70) cc_final: 0.5906 (t70) REVERT: H 459 GLU cc_start: 0.9151 (mt-10) cc_final: 0.8843 (mt-10) REVERT: H 472 MET cc_start: 0.9454 (mtt) cc_final: 0.9124 (mtp) REVERT: H 487 MET cc_start: 0.8963 (mtt) cc_final: 0.8606 (mtp) REVERT: H 500 GLN cc_start: 0.9501 (tp40) cc_final: 0.9135 (tp-100) REVERT: I 16 ASP cc_start: 0.9229 (t0) cc_final: 0.9029 (m-30) REVERT: I 38 ASP cc_start: 0.8829 (p0) cc_final: 0.8540 (p0) REVERT: I 45 VAL cc_start: 0.8369 (t) cc_final: 0.7795 (t) REVERT: I 75 LEU cc_start: 0.9145 (mt) cc_final: 0.8726 (mt) REVERT: I 86 TYR cc_start: 0.6799 (t80) cc_final: 0.5513 (t80) REVERT: I 103 GLU cc_start: 0.8614 (mm-30) cc_final: 0.8410 (mm-30) REVERT: I 123 LYS cc_start: 0.8897 (pttm) cc_final: 0.8529 (ptpp) REVERT: I 126 MET cc_start: 0.8963 (mtm) cc_final: 0.8561 (mtm) REVERT: I 175 ARG cc_start: 0.8148 (mmp80) cc_final: 0.7646 (tpp80) REVERT: I 184 TYR cc_start: 0.7110 (t80) cc_final: 0.6490 (t80) REVERT: I 204 GLU cc_start: 0.7376 (mt-10) cc_final: 0.7059 (tt0) REVERT: I 207 ILE cc_start: 0.8644 (mp) cc_final: 0.8442 (tp) REVERT: I 246 CYS cc_start: 0.8255 (m) cc_final: 0.8042 (m) REVERT: I 262 ASN cc_start: 0.8776 (m-40) cc_final: 0.8168 (t0) REVERT: I 266 LEU cc_start: 0.8944 (mm) cc_final: 0.8688 (mm) REVERT: I 267 LEU cc_start: 0.8514 (mt) cc_final: 0.8217 (mt) REVERT: I 275 ARG cc_start: 0.8940 (mmm160) cc_final: 0.6893 (mmm160) REVERT: I 472 MET cc_start: 0.8688 (mmp) cc_final: 0.8354 (mmp) REVERT: I 481 ILE cc_start: 0.9181 (mm) cc_final: 0.8767 (tp) REVERT: I 501 GLU cc_start: 0.9576 (mm-30) cc_final: 0.9119 (pp20) REVERT: J 31 ILE cc_start: 0.8376 (tt) cc_final: 0.8046 (mp) REVERT: J 36 LEU cc_start: 0.4755 (tp) cc_final: 0.4471 (tp) REVERT: J 69 MET cc_start: 0.8212 (ptp) cc_final: 0.7734 (pmm) REVERT: J 74 GLU cc_start: 0.8771 (pt0) cc_final: 0.8280 (pp20) REVERT: J 94 GLU cc_start: 0.9471 (tt0) cc_final: 0.9108 (tt0) REVERT: J 98 ASP cc_start: 0.8742 (m-30) cc_final: 0.8353 (m-30) REVERT: J 113 LEU cc_start: 0.8594 (mt) cc_final: 0.8281 (mt) REVERT: J 126 MET cc_start: 0.8385 (mtt) cc_final: 0.8158 (mtt) REVERT: J 158 PHE cc_start: 0.9303 (m-80) cc_final: 0.8921 (m-80) REVERT: J 183 GLN cc_start: 0.9517 (mp10) cc_final: 0.9203 (mp10) REVERT: J 205 TYR cc_start: 0.8770 (p90) cc_final: 0.8148 (p90) REVERT: J 251 ILE cc_start: 0.8347 (mm) cc_final: 0.7929 (mm) REVERT: J 305 MET cc_start: 0.4610 (mmt) cc_final: 0.3745 (mtt) REVERT: J 348 ASP cc_start: 0.8653 (m-30) cc_final: 0.8352 (m-30) REVERT: J 359 MET cc_start: 0.8384 (pmm) cc_final: 0.6877 (ttt) REVERT: J 367 GLN cc_start: 0.9209 (tp40) cc_final: 0.8455 (tp40) REVERT: J 371 MET cc_start: 0.8867 (mtp) cc_final: 0.8165 (mtm) REVERT: J 396 ILE cc_start: 0.7718 (mm) cc_final: 0.6957 (mm) REVERT: J 405 LYS cc_start: 0.9193 (mttm) cc_final: 0.8873 (mtpp) REVERT: J 420 ASP cc_start: 0.8418 (m-30) cc_final: 0.8141 (m-30) REVERT: J 434 GLU cc_start: 0.9054 (tt0) cc_final: 0.8610 (tm-30) REVERT: J 445 LYS cc_start: 0.8276 (tmtt) cc_final: 0.7846 (tptp) REVERT: J 451 ASP cc_start: 0.8960 (t0) cc_final: 0.8515 (t0) REVERT: J 457 LEU cc_start: 0.8855 (tt) cc_final: 0.8492 (tt) REVERT: J 458 LYS cc_start: 0.8190 (ttpt) cc_final: 0.7911 (ttpt) REVERT: J 461 GLU cc_start: 0.9155 (mt-10) cc_final: 0.8758 (mt-10) REVERT: J 474 GLU cc_start: 0.9405 (pp20) cc_final: 0.8824 (mt-10) REVERT: J 489 ASP cc_start: 0.8864 (m-30) cc_final: 0.8604 (m-30) REVERT: J 493 MET cc_start: 0.8649 (mmp) cc_final: 0.8195 (mmm) REVERT: J 498 ILE cc_start: 0.9358 (mm) cc_final: 0.9085 (mm) REVERT: K 86 TYR cc_start: 0.6528 (t80) cc_final: 0.6077 (t80) REVERT: K 122 ILE cc_start: 0.8556 (mt) cc_final: 0.8350 (mt) REVERT: K 125 MET cc_start: 0.8761 (mmp) cc_final: 0.8072 (mpp) REVERT: K 126 MET cc_start: 0.9380 (mtp) cc_final: 0.9076 (mtp) REVERT: K 133 VAL cc_start: 0.9754 (t) cc_final: 0.9483 (t) REVERT: K 301 MET cc_start: 0.1449 (mmm) cc_final: 0.1047 (mmt) REVERT: K 305 MET cc_start: 0.4985 (ttm) cc_final: 0.4667 (ptt) REVERT: K 359 MET cc_start: 0.8969 (ptt) cc_final: 0.8600 (ptt) REVERT: K 360 GLU cc_start: 0.9148 (mm-30) cc_final: 0.8822 (mp0) REVERT: K 379 ARG cc_start: 0.8497 (mmp80) cc_final: 0.7841 (mmm-85) REVERT: K 396 ILE cc_start: 0.8680 (tt) cc_final: 0.8346 (tt) REVERT: K 400 GLU cc_start: 0.8218 (mp0) cc_final: 0.7763 (mp0) REVERT: K 401 LEU cc_start: 0.9163 (mt) cc_final: 0.8852 (mt) REVERT: K 411 GLN cc_start: 0.9142 (mt0) cc_final: 0.8503 (mm-40) REVERT: K 419 LEU cc_start: 0.9157 (mt) cc_final: 0.8927 (mt) REVERT: K 420 ASP cc_start: 0.9559 (t0) cc_final: 0.9077 (t0) REVERT: K 423 LYS cc_start: 0.8632 (ptpp) cc_final: 0.8248 (tttp) REVERT: K 448 PHE cc_start: 0.8284 (m-10) cc_final: 0.7347 (m-10) REVERT: K 453 TYR cc_start: 0.7708 (t80) cc_final: 0.7434 (t80) REVERT: K 457 LEU cc_start: 0.9037 (mt) cc_final: 0.8737 (mt) REVERT: K 461 GLU cc_start: 0.8781 (mt-10) cc_final: 0.8480 (mt-10) REVERT: K 465 ARG cc_start: 0.9001 (tpm170) cc_final: 0.8246 (tpp-160) REVERT: K 472 MET cc_start: 0.9314 (mtm) cc_final: 0.8432 (mtp) REVERT: K 485 THR cc_start: 0.9200 (p) cc_final: 0.8943 (p) REVERT: K 487 MET cc_start: 0.8927 (ttm) cc_final: 0.8280 (ttm) REVERT: K 488 LYS cc_start: 0.8205 (pttp) cc_final: 0.7974 (pttp) REVERT: K 497 GLU cc_start: 0.8135 (tt0) cc_final: 0.6996 (tt0) REVERT: K 498 ILE cc_start: 0.9283 (mt) cc_final: 0.8668 (mt) REVERT: K 501 GLU cc_start: 0.9135 (mm-30) cc_final: 0.8599 (mm-30) REVERT: K 503 LYS cc_start: 0.8809 (mmpt) cc_final: 0.8474 (mmmm) REVERT: L 17 GLU cc_start: 0.8643 (mt-10) cc_final: 0.8355 (pt0) REVERT: L 21 LYS cc_start: 0.8412 (mttt) cc_final: 0.8152 (mmtt) REVERT: L 24 GLU cc_start: 0.8754 (tt0) cc_final: 0.7986 (mt-10) REVERT: L 112 ASN cc_start: 0.8123 (m110) cc_final: 0.7644 (m110) REVERT: L 125 MET cc_start: 0.9687 (mpp) cc_final: 0.9436 (mpp) REVERT: L 146 HIS cc_start: 0.9080 (m-70) cc_final: 0.8735 (m-70) REVERT: L 215 TYR cc_start: 0.7474 (m-80) cc_final: 0.7200 (m-80) REVERT: L 221 MET cc_start: 0.7342 (mtp) cc_final: 0.7120 (mtp) REVERT: L 259 LYS cc_start: 0.8630 (mttt) cc_final: 0.8402 (ttmt) REVERT: L 265 LYS cc_start: 0.8155 (mmmt) cc_final: 0.7834 (mmmt) REVERT: L 268 GLU cc_start: 0.9230 (tt0) cc_final: 0.8448 (tm-30) REVERT: L 277 THR cc_start: 0.8496 (t) cc_final: 0.8274 (t) REVERT: L 292 MET cc_start: 0.7178 (tpp) cc_final: 0.6770 (ttp) REVERT: L 363 ARG cc_start: 0.8618 (mtt180) cc_final: 0.8179 (ttm110) REVERT: L 401 LEU cc_start: 0.9673 (mt) cc_final: 0.9365 (mt) REVERT: L 415 GLU cc_start: 0.8577 (tt0) cc_final: 0.8273 (tt0) REVERT: L 420 ASP cc_start: 0.9057 (t0) cc_final: 0.8755 (t0) REVERT: L 468 ASN cc_start: 0.9734 (m110) cc_final: 0.9518 (m110) REVERT: M 12 TRP cc_start: 0.7469 (m-90) cc_final: 0.6103 (m-90) REVERT: M 35 LYS cc_start: 0.8202 (ttpp) cc_final: 0.7970 (ttpp) REVERT: M 41 ARG cc_start: 0.9122 (ptp90) cc_final: 0.8866 (ptp90) REVERT: M 45 VAL cc_start: 0.7928 (t) cc_final: 0.7352 (t) REVERT: M 79 TYR cc_start: 0.9226 (m-10) cc_final: 0.8916 (m-80) REVERT: M 81 ASN cc_start: 0.9154 (m110) cc_final: 0.8927 (m110) REVERT: M 127 LEU cc_start: 0.9267 (mt) cc_final: 0.9015 (mt) REVERT: M 136 HIS cc_start: 0.8603 (m170) cc_final: 0.8229 (m170) REVERT: M 137 LEU cc_start: 0.9561 (mt) cc_final: 0.9309 (mt) REVERT: M 146 HIS cc_start: 0.9246 (m-70) cc_final: 0.8826 (m-70) REVERT: M 182 VAL cc_start: 0.8558 (t) cc_final: 0.8291 (t) REVERT: M 207 ILE cc_start: 0.8662 (mm) cc_final: 0.8334 (mm) REVERT: M 221 MET cc_start: 0.5219 (ptp) cc_final: 0.4920 (ptp) REVERT: M 239 HIS cc_start: 0.8508 (p-80) cc_final: 0.7163 (p-80) REVERT: M 328 MET cc_start: 0.6344 (tpt) cc_final: 0.6090 (mmm) REVERT: M 350 LEU cc_start: 0.8098 (mt) cc_final: 0.7869 (mt) REVERT: M 366 ARG cc_start: 0.8689 (ttp-170) cc_final: 0.8358 (ptm-80) REVERT: M 367 GLN cc_start: 0.8431 (tt0) cc_final: 0.8090 (tt0) REVERT: M 371 MET cc_start: 0.9321 (mtp) cc_final: 0.8776 (mtp) REVERT: M 373 LEU cc_start: 0.9480 (mt) cc_final: 0.9254 (mt) REVERT: M 406 PHE cc_start: 0.9472 (t80) cc_final: 0.9123 (t80) REVERT: M 420 ASP cc_start: 0.9420 (t70) cc_final: 0.9128 (t0) REVERT: M 457 LEU cc_start: 0.9418 (mt) cc_final: 0.9151 (mt) REVERT: M 469 MET cc_start: 0.9454 (mmm) cc_final: 0.9199 (tpp) REVERT: M 472 MET cc_start: 0.7929 (mtp) cc_final: 0.7470 (ptp) REVERT: M 487 MET cc_start: 0.9067 (mtt) cc_final: 0.8697 (mtp) REVERT: M 493 MET cc_start: 0.8792 (mtm) cc_final: 0.8300 (ptp) REVERT: M 498 ILE cc_start: 0.7679 (mt) cc_final: 0.7305 (mt) REVERT: M 507 GLU cc_start: 0.9343 (mt-10) cc_final: 0.8967 (mm-30) REVERT: N 69 MET cc_start: 0.8706 (mmp) cc_final: 0.7917 (mmm) REVERT: N 125 MET cc_start: 0.8879 (tpt) cc_final: 0.8162 (tpp) REVERT: N 147 PHE cc_start: 0.8936 (t80) cc_final: 0.8241 (t80) REVERT: N 150 TRP cc_start: 0.9016 (t60) cc_final: 0.7732 (t60) REVERT: N 180 ARG cc_start: 0.7458 (mtt90) cc_final: 0.6499 (mtt90) REVERT: N 183 GLN cc_start: 0.7983 (tp-100) cc_final: 0.7606 (tp-100) REVERT: N 221 MET cc_start: 0.4110 (mmt) cc_final: 0.3183 (mmt) REVERT: N 239 HIS cc_start: 0.7892 (p-80) cc_final: 0.7240 (p90) REVERT: N 265 LYS cc_start: 0.8697 (tttt) cc_final: 0.8489 (tptt) REVERT: N 366 ARG cc_start: 0.8877 (mtp-110) cc_final: 0.8567 (mtp85) REVERT: N 400 GLU cc_start: 0.9190 (mm-30) cc_final: 0.8666 (mm-30) REVERT: N 410 LEU cc_start: 0.8855 (mt) cc_final: 0.8577 (mt) REVERT: N 414 PHE cc_start: 0.9215 (t80) cc_final: 0.7362 (t80) REVERT: N 432 ILE cc_start: 0.8919 (mp) cc_final: 0.8445 (tp) REVERT: N 442 ASN cc_start: 0.7648 (m-40) cc_final: 0.7447 (m-40) REVERT: N 464 GLU cc_start: 0.9300 (tt0) cc_final: 0.9084 (tt0) REVERT: N 469 MET cc_start: 0.9326 (ttp) cc_final: 0.9029 (ttp) REVERT: N 477 ILE cc_start: 0.8379 (mt) cc_final: 0.8165 (tp) REVERT: N 507 GLU cc_start: 0.9112 (tt0) cc_final: 0.8533 (tm-30) REVERT: O 15 MET cc_start: 0.7329 (mtp) cc_final: 0.6951 (mtm) REVERT: O 73 ARG cc_start: 0.8734 (ppt170) cc_final: 0.8287 (ttp80) REVERT: O 79 TYR cc_start: 0.8972 (m-80) cc_final: 0.8613 (m-80) REVERT: O 83 MET cc_start: 0.8419 (ttp) cc_final: 0.7646 (tpp) REVERT: O 88 VAL cc_start: 0.9460 (t) cc_final: 0.9227 (t) REVERT: O 111 LEU cc_start: 0.8868 (pt) cc_final: 0.8548 (pt) REVERT: O 126 MET cc_start: 0.8643 (ptp) cc_final: 0.8417 (ppp) REVERT: O 148 ARG cc_start: 0.7466 (mtp85) cc_final: 0.7199 (mtp85) REVERT: O 172 LYS cc_start: 0.6887 (mmtt) cc_final: 0.6503 (mttt) REVERT: O 274 TYR cc_start: 0.9259 (t80) cc_final: 0.8513 (t80) REVERT: O 292 MET cc_start: 0.6617 (mtt) cc_final: 0.5537 (ttm) REVERT: O 328 MET cc_start: 0.6348 (tpt) cc_final: 0.5851 (tpt) REVERT: O 334 TYR cc_start: 0.7412 (m-80) cc_final: 0.6051 (m-80) REVERT: O 350 LEU cc_start: 0.6929 (tt) cc_final: 0.6647 (tt) REVERT: O 364 TRP cc_start: 0.9304 (t60) cc_final: 0.9024 (t60) REVERT: O 367 GLN cc_start: 0.9346 (mt0) cc_final: 0.8948 (mm-40) REVERT: O 371 MET cc_start: 0.8894 (mtm) cc_final: 0.8624 (mmm) REVERT: O 416 GLU cc_start: 0.8151 (mm-30) cc_final: 0.7571 (tt0) REVERT: O 420 ASP cc_start: 0.9518 (t0) cc_final: 0.9205 (t0) REVERT: O 469 MET cc_start: 0.9413 (mmp) cc_final: 0.9023 (ttm) REVERT: O 472 MET cc_start: 0.9241 (mtm) cc_final: 0.8990 (ptp) REVERT: O 487 MET cc_start: 0.8162 (mpp) cc_final: 0.7837 (mmt) REVERT: O 490 ILE cc_start: 0.9501 (mp) cc_final: 0.8922 (mp) REVERT: O 500 GLN cc_start: 0.9414 (mm-40) cc_final: 0.9043 (mm-40) REVERT: O 503 LYS cc_start: 0.8991 (tttp) cc_final: 0.8659 (pttp) REVERT: P 20 PHE cc_start: 0.9125 (t80) cc_final: 0.8698 (t80) REVERT: P 80 ARG cc_start: 0.8909 (mmt90) cc_final: 0.8608 (mtp180) REVERT: P 123 LYS cc_start: 0.9310 (pttp) cc_final: 0.8877 (ptpt) REVERT: P 126 MET cc_start: 0.8336 (mtm) cc_final: 0.7956 (mtp) REVERT: P 132 ASP cc_start: 0.8788 (t0) cc_final: 0.8291 (m-30) REVERT: P 153 ASP cc_start: 0.8620 (m-30) cc_final: 0.8388 (m-30) REVERT: P 158 PHE cc_start: 0.9243 (m-80) cc_final: 0.8891 (m-80) REVERT: P 159 HIS cc_start: 0.7197 (t-90) cc_final: 0.6777 (t-90) REVERT: P 178 ASP cc_start: 0.8704 (t70) cc_final: 0.8463 (t70) REVERT: P 203 LYS cc_start: 0.8536 (mmtm) cc_final: 0.8129 (mppt) REVERT: P 243 VAL cc_start: 0.7346 (p) cc_final: 0.6966 (t) REVERT: P 255 HIS cc_start: 0.9146 (t70) cc_final: 0.8728 (t70) REVERT: P 263 GLN cc_start: 0.9462 (tt0) cc_final: 0.9169 (tt0) REVERT: P 358 ASN cc_start: 0.8678 (m-40) cc_final: 0.7722 (t0) REVERT: P 365 PHE cc_start: 0.9502 (m-80) cc_final: 0.9138 (m-80) REVERT: P 396 ILE cc_start: 0.8360 (tt) cc_final: 0.7955 (tt) REVERT: P 400 GLU cc_start: 0.8866 (mm-30) cc_final: 0.8615 (mm-30) REVERT: P 436 GLU cc_start: 0.8570 (mt-10) cc_final: 0.7976 (tp30) REVERT: P 443 ASN cc_start: 0.9525 (t0) cc_final: 0.9243 (t0) REVERT: P 449 HIS cc_start: 0.7913 (t-90) cc_final: 0.7507 (t-90) REVERT: P 461 GLU cc_start: 0.8238 (mt-10) cc_final: 0.7793 (mt-10) REVERT: P 466 ARG cc_start: 0.8682 (mtt180) cc_final: 0.8186 (mtt90) REVERT: P 472 MET cc_start: 0.9151 (mtm) cc_final: 0.8800 (ptp) REVERT: P 479 LYS cc_start: 0.8648 (tttt) cc_final: 0.8032 (tttm) REVERT: P 487 MET cc_start: 0.9094 (ttt) cc_final: 0.8846 (ttt) REVERT: P 499 GLU cc_start: 0.7768 (mt-10) cc_final: 0.7212 (mm-30) REVERT: P 501 GLU cc_start: 0.9472 (mm-30) cc_final: 0.8621 (mm-30) REVERT: P 505 ILE cc_start: 0.7217 (mt) cc_final: 0.5967 (mt) outliers start: 5 outliers final: 3 residues processed: 6987 average time/residue: 1.0717 time to fit residues: 13245.3129 Evaluate side-chains 6120 residues out of total 15533 non-(ALA, GLY, PRO) need fitting. rotamer outliers: 3 poor density : 6117 time to evaluate : 10.047 ------------------------------------------------------------------------------- Set rotamer restraints ********************** Rotamers are restrained with sigma=1.00 ------------------------------------------------------------------------------- XYZ refinement ************** Weight determination summary: number of chunks: 1928 random chunks: chunk 937 optimal weight: 0.9980 chunk 1214 optimal weight: 2.9990 chunk 1629 optimal weight: 8.9990 chunk 468 optimal weight: 0.7980 chunk 1410 optimal weight: 2.9990 chunk 225 optimal weight: 0.0170 chunk 425 optimal weight: 0.4980 chunk 1531 optimal weight: 0.8980 chunk 641 optimal weight: 6.9990 chunk 1573 optimal weight: 0.6980 chunk 193 optimal weight: 5.9990 overall best weight: 0.5818 ------------------------------------------------------------------------------- NQH flips ********* Analyzing N/Q/H residues for possible flip corrections... Flipped N/Q/H residues before XYZ refinement: ** a 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** a 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** b 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** c 510 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 123 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** d 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** e 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** e 257 GLN ** e 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** f 72 HIS ** f 105 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** g 72 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** g 303 ASN g 497 GLN h 78 ASN h 191 GLN ** i 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** i 282 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** i 303 ASN ** j 145 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** j 157 GLN ** j 240 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** j 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** k 236 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** k 240 ASN ** k 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** l 303 ASN ** l 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** l 490 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 276 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** m 367 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** m 381 ASN n 145 HIS n 311 ASN n 427 GLN o 105 ASN ** o 245 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** o 381 ASN ** p 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** p 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** p 510 ASN ** q 215 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** q 236 GLN ** q 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** q 505 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** r 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** s 123 GLN ** s 171 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 356 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** s 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 303 ASN ** t 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** t 505 ASN ** u 157 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** u 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** v 83 GLN ** v 265 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** v 384 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** w 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 356 GLN ** w 482 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** w 497 GLN ** x 115 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 240 ASN ** x 257 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** x 303 ASN ** y 83 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 105 ASN ** y 195 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** y 381 ASN ** y 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** z 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** z 311 ASN ** z 497 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** A 311 ASN B 240 ASN B 303 ASN B 381 ASN ** B 427 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** C 303 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** C 427 GLN D 115 GLN D 303 ASN ** D 398 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** E 442 ASN ** E 492 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** E 504 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** F 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 84 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** G 411 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** H 90 ASN H 183 GLN H 327 ASN H 411 GLN ** I 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** J 23 GLN J 136 HIS ** J 262 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** K 262 ASN ** K 326 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** K 337 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 85 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 159 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** L 183 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** L 358 ASN M 159 HIS ** M 263 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** M 310 ASN ** M 324 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 438 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** ** M 500 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 23 GLN ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 136 HIS ** both conformations clash, **PLEASE CHECK MANUALLY** ** N 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** N 449 HIS P 124 ASN ** P 425 ASN ** both conformations clash, **PLEASE CHECK MANUALLY** Total number of N/Q/H flips: 49 ------------------------------------------------------------------------------- ADP refinement ************** |-group b-factor refinement (macro cycle = 0; iterations = 0)-----------------| | r_work = 0.3798 r_free = 0.3798 target = 0.134731 restraints weight = None | |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 1; iterations = 58)----------------| | r_work = 0.3368 r_free = 0.3368 target = 0.100901 restraints weight = 315177.425| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 2; iterations = 29)----------------| | r_work = 0.3440 r_free = 0.3440 target = 0.105957 restraints weight = 176268.549| |-----------------------------------------------------------------------------| |-group b-factor refinement (macro cycle = 3; iterations = 46)----------------| | r_work = 0.3489 r_free = 0.3489 target = 0.109596 restraints weight = 112383.568| |-----------------------------------------------------------------------------| r_work (final): 0.3448 ------------------------------------------------------------------------------- Occupancy refinement ******************** ------------------------------------------------------------------------------- Overall statistics ****************** model-to-map fit, CC_mask: 0.7341 moved from start: 0.7144 Geometry Restraints Library: GeoStd + Monomer Library + CDL v1.2 Deviations from Ideal Values - rmsd, rmsZ for bonds and angles. Bond : 0.003 0.091 153284 Z= 0.203 Angle : 0.702 13.305 207272 Z= 0.375 Chirality : 0.048 0.451 22633 Planarity : 0.005 0.107 27252 Dihedral : 5.408 40.201 21163 Min Nonbonded Distance : 2.066 Molprobity Statistics. All-atom Clashscore : 21.54 Ramachandran Plot: Outliers : 0.10 % Allowed : 8.52 % Favored : 91.38 % Rotamer: Outliers : 0.03 % Allowed : 0.26 % Favored : 99.70 % Cbeta Deviations : 0.00 % Peptide Plane: Cis-proline : 2.23 % Cis-general : 0.26 % Twisted Proline : 0.13 % Twisted General : 0.03 % Rama-Z (Ramachandran plot Z-score): Interpretation: bad |Rama-Z| > 3; suspicious 2 < |Rama-Z| < 3; good |Rama-Z| < 2. Scores for whole/helix/sheet/loop are scaled independently; therefore, the values are not related in a simple manner. whole: -1.22 (0.06), residues: 19365 helix: 0.76 (0.07), residues: 6039 sheet: -1.37 (0.09), residues: 3159 loop : -1.61 (0.06), residues: 10167 Max deviation from planes: Type MaxDev MeanDev LineInFile TRP 0.064 0.003 TRP t 345 HIS 0.015 0.001 HIS m 180 PHE 0.046 0.002 PHE k 154 TYR 0.052 0.002 TYR N 184 ARG 0.023 0.001 ARG I 256 =============================================================================== Job complete usr+sys time: 161316.48 seconds wall clock time: 2739 minutes 37.16 seconds (164377.16 seconds total)