data_2m1x_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m1x _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 2.2 m-85 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.524 0.202 . . . . 65.34 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.456 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 14.8 m-80 -112.3 -14.29 13.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.22 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.709 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 7.0 p90 -164.69 153.12 12.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.54 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.3 OUTLIER -109.67 115.51 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 71.03 109.262 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 54.0 mt -86.6 96.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 70.23 109.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 427' ' ' PHE . 5.9 mt -80.74 118.68 22.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 73.2 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 11.2 p80 -155.0 158.24 38.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.31 109.589 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.488 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -56.97 -165.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 71.33 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -9.12 23.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 74.11 110.237 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.6 16.85 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 62.22 109.348 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -127.05 35.99 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 72.34 109.281 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 31.9 tt0 -66.43 -76.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 65.41 110.364 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 11.5 p-80 -38.19 -35.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.32 109.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.447 HD12 ' CB ' ' A' ' 493' ' ' GLU . 47.9 mt -58.27 -54.95 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.22 109.297 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.45 -46.62 79.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 72.13 109.296 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 410' ' ' LEU . 2.3 mt -57.06 -25.54 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 75.2 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -80.91 -21.35 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 74.23 110.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.556 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 4.8 t -84.29 -52.53 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.069 . . . . 75.01 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.478 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.7 mtm180 -38.2 -51.47 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 65.45 110.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 67.4 mt-10 -67.12 -51.9 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.21 110.351 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -27.03 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 74.53 109.346 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.642 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 64.1 mt -76.99 -33.8 57.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 70.05 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.9 mt-10 -76.19 -8.12 56.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 75.32 110.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -90.75 -9.35 46.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 63.3 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.477 ' CD1' HG11 ' A' ' 524' ' ' VAL . 0.8 OUTLIER -116.37 -44.96 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.14 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.14 -76.29 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 55.4 110.995 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.709 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -40.36 138.04 1.23 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 0.733 . . . . 74.22 109.363 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 64.33 111.048 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.441 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.9 p-10 -59.11 -44.46 91.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.42 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.02 -92.79 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 74.33 110.997 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.46 -175.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 0.76 . . . . 72.44 109.249 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 2.9 p -152.12 120.17 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.14 110.35 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.488 ' CD2' HD21 ' A' ' 400' ' ' LEU . 1.9 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 74.43 110.993 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 472' ' ' ALA . 6.7 pt20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.339 -0.245 . . . . 75.03 110.339 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -73.57 -48.24 34.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 73.45 109.264 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 452' ' ' ILE . . . -67.04 -14.66 63.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 73.44 109.234 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.437 ' CG1' HG13 ' A' ' 452' ' ' ILE . 7.2 mt -79.93 -31.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 74.23 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.96 -12.02 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.22 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 444' ' ' ASP . 5.9 m-70 -106.42 -55.92 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.05 109.579 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.465 ' OG ' ' CB ' ' A' ' 445' ' ' ALA . 0.8 OUTLIER -79.94 143.03 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 72.02 110.003 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 451' ' ' PHE . . . -53.26 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 74.11 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD2' ' SG ' ' A' ' 485' ' ' CYS . 3.0 m-85 -121.71 130.53 53.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 74.04 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 445' ' ' ALA . 26.0 mm -71.52 130.23 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.063 . . . . 73.21 109.222 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 397' ' ' PHE . 5.8 mt -106.34 112.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.43 109.27 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 1.1 mp -95.41 107.55 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 71.22 109.396 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.539 ' O ' ' CD2' ' A' ' 460' ' ' PHE . 7.2 tp -73.93 79.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 75.1 109.303 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.03 91.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.15 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.464 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 12.9 p -129.74 149.94 51.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.52 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 498' ' ' GLN . 0.4 OUTLIER -57.04 -17.57 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 75.33 110.014 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.94 -22.84 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 73.3 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 48.6 t80 -104.37 165.25 11.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 74.31 110.959 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -106.62 124.15 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 72.23 109.259 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.4 m -92.2 -52.41 4.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 70.01 108.264 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -38.87 -59.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 71.41 110.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.5 tm? -51.71 -61.49 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 75.25 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -45.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.473 1.108 . . . . 75.34 109.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -59.84 -48.37 81.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 75.12 109.272 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 21.5 m-70 -56.86 -56.1 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 72.13 109.525 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' A' ' 464' ' ' LEU . 27.7 mt-30 -57.32 -69.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.1 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.6 OUTLIER -39.75 -45.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.45 109.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.1 m-80 -56.55 -69.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 73.34 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.1 mm100 -40.67 -45.94 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 74.42 110.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.465 ' HB2' ' CB ' ' A' ' 443' ' ' GLN . . . -57.23 -46.09 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 75.13 109.196 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.493 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 32.7 mtt -64.64 -57.96 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.54 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.44 32.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 61.31 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.4 t -78.01 -53.08 7.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 75.45 109.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.695 ' ND2' HE22 ' A' ' 480' ' ' GLN . 15.2 p-10 -133.08 94.66 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 64.14 109.346 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 473' ' ' MET . 10.0 mt -92.87 -37.23 12.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 75.03 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.4 t -56.56 -17.21 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 71.31 110.395 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -78.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.408 1.068 . . . . 73.23 110.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.695 HE22 ' ND2' ' A' ' 476' ' ' ASN . 2.3 pm0 -111.51 -23.36 10.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 1.155 . . . . 74.43 110.405 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.4 43.8 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.416 1.072 . . . . 62.4 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.65 81.1 14.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 63.23 110.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.28 9.09 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.781 . . . . 70.02 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 34.1 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.12 109.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.579 ' SG ' ' CD2' ' A' ' 451' ' ' PHE . 0.5 OUTLIER -106.49 20.38 19.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.24 108.31 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.486 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 2.9 t -92.5 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 62.13 109.211 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 4.1 mm -140.01 95.47 8.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 73.21 109.35 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 94.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 73.35 110.989 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.556 ' CE2' ' CG2' ' A' ' 412' ' ' VAL . 8.2 t80 -80.76 146.95 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.52 111.044 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' A' ' 495' ' ' SER . 2.3 tm? -133.44 103.6 12.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.53 109.319 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.441 ' CG ' HG21 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.99 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 74.45 110.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.8 mp -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 73.31 109.222 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.447 ' CB ' HD12 ' A' ' 408' ' ' ILE . 3.5 mm-40 -58.89 -36.6 74.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.44 110.354 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -120.53 175.67 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 71.14 109.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' SER . . . . . 0.432 ' CA ' HD23 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.6 166.13 17.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.42 110.032 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.485 1.781 . . . . 73.22 110.994 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.06 -25.72 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.31 109.315 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . 0.416 ' CB ' ' OG ' ' A' ' 458' ' ' SER . 2.0 mt-30 -75.97 -8.46 57.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 74.22 110.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.66 161.92 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.1 109.377 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.3 m -61.45 162.11 8.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.587 1.18 . . . . 64.25 110.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 34.2 t -70.55 -6.53 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.14 110.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 505' ' ' SER . 83.2 m-20 -83.54 -36.13 24.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 72.14 109.193 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.498 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 67.9 m -42.51 -47.59 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 70.14 110.356 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.18 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 65.53 109.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 502' ' ' ASP . 43.4 t -78.71 -25.38 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 71.13 110.035 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 59.6 mt -69.44 -34.26 74.15 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 1.103 . . . . 74.2 109.233 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.4 OUTLIER -111.19 20.82 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 74.51 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 60.84 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.32 109.935 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 173.05 -38.45 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.168 . . . . 72.12 111.008 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.435 ' CD2' ' HB ' ' A' ' 486' ' ' VAL . 13.2 mt -72.55 -179.65 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 73.54 109.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 70.4 t -104.66 99.46 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.394 1.059 . . . . 62.42 109.26 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 514' ' ' ASP . 2.4 tmm_? -52.04 113.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.32 110.371 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 9.0 tp -98.84 129.05 45.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 73.52 109.336 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 13.0 m-20 -116.01 167.48 10.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 71.44 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -122.23 5.12 9.74 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 1.139 . . . . 72.4 110.342 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.6 9.12 5.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 71.31 109.601 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.38 139.2 33.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 73.41 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . 0.407 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.2 pp0? -78.93 2.51 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 75.31 110.323 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.58 -27.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 65.4 109.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.0 t80 -40.01 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 72.3 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.41 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 73.54 109.315 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.22 -20.4 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 73.41 110.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.436 ' CD ' HD13 ' A' ' 519' ' ' ILE . 15.7 mmmt -73.65 -47.43 39.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 63.32 109.311 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.477 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -71.52 -45.5 67.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 74.54 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -66.51 -10.64 46.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 63.54 109.334 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.5 m-20 -87.91 -55.83 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 72.51 109.323 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.491 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -77.44 -54.05 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 64.34 110.359 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 527' ' ' THR . 58.4 m-85 -88.19 55.2 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 71.13 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.66 159.91 22.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 72.21 109.295 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -31.62 6.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 73.21 111.056 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.48 ' NE2' ' NE ' ' A' ' 532' ' ' ARG . 3.6 p-80 -75.65 -13.9 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 75.34 109.56 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.48 ' NE ' ' NE2' ' A' ' 531' ' ' HIS . 25.3 mmt180 -98.16 -42.56 7.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 63.15 110.383 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.456 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.4 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.503 0.192 . . . . 75.42 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.7 m-80 -112.39 -14.37 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 74.33 109.351 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.708 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 11.0 p90 -170.7 136.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.44 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 3.9 p -100.01 105.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 73.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.28 96.7 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.54 109.26 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CZ ' ' A' ' 460' ' ' PHE . 0.7 OUTLIER -78.24 110.2 13.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 71.52 109.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 19.7 p80 -144.82 174.2 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.45 109.587 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.476 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -67.59 -167.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 72.44 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -11.23 21.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 74.11 110.33 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -104.3 16.88 25.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 74.13 109.278 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.449 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -124.88 26.98 6.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.14 109.281 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 410' ' ' LEU . 23.2 tt0 -61.4 -75.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.394 1.059 . . . . 75.22 110.353 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 17.6 p-80 -41.91 -33.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 75.42 109.657 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.458 HD13 ' CB ' ' A' ' 493' ' ' GLU . 47.1 mt -62.24 -50.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.03 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -71.27 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 72.34 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 8.2 mp -48.29 -24.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 72.41 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 0.0 OUTLIER -75.99 -36.5 59.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 72.04 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.468 HG21 ' CE2' ' A' ' 489' ' ' PHE . 2.6 t -74.79 -52.32 19.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.45 1.093 . . . . 64.03 109.345 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.465 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 11.2 mtm180 -35.6 -45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 75.22 110.313 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 70.5 mt-10 -69.6 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 75.2 110.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -38.88 -52.45 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 74.53 109.314 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.589 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 94.5 mt -42.17 -57.52 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.416 1.073 . . . . 72.25 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 416' ' ' LEU . 8.9 mt-10 -36.61 -40.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 75.42 110.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -54.95 -53.59 53.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.561 1.163 . . . . 72.45 109.317 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.508 ' CD2' ' CB ' ' A' ' 521' ' ' ALA . 1.8 mt -66.9 -45.86 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.34 109.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.08 -70.68 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.092 . . . . 73.33 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.708 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.49 137.24 1.06 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 72.51 109.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 -166.15 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.389 1.731 . . . . 53.15 110.936 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.513 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 72.43 109.23 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 81.39 -95.67 1.69 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 72.52 110.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.38 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 74.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 11.2 p -151.68 145.2 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 75.15 110.474 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 64.4 111.064 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.426 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.351 -0.24 . . . . 75.5 110.351 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -63.1 -20.54 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 74.13 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -88.26 -29.44 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.21 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.415 ' CG1' HG13 ' A' ' 452' ' ' ILE . 2.5 mt -60.6 -22.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.12 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -56.49 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 75.12 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -65.55 -55.69 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.12 109.634 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -77.34 160.64 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 74.41 110.044 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 533' ' ' LEU . . . -74.65 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 70.13 109.25 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 2.2 m-85 -118.43 129.06 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.11 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 446' ' ' ILE . 14.3 mm -71.1 135.87 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 75.21 109.283 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.513 HD13 ' CD2' ' A' ' 397' ' ' PHE . 7.4 mt -110.79 120.99 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 64.25 109.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 3.5 mt -100.96 106.85 18.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.14 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.4 tp -73.57 79.6 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 74.23 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 6.4 mt -68.13 92.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.15 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.471 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 17.3 p -127.22 158.4 37.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 71.42 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 p -64.25 -12.15 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 74.41 110.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.0 -11.32 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 65.45 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 461' ' ' ASP . 55.1 t80 -124.7 171.44 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 71.23 110.929 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 460' ' ' PHE . 29.8 p30 -120.14 126.23 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.25 109.233 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 464' ' ' LEU . 28.0 p -83.15 -42.34 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 63.53 108.323 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -38.89 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.32 110.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.49 ' CD1' ' OE1' ' A' ' 468' ' ' GLN . 1.7 tm? -82.18 -54.95 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 74.24 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.3 OUTLIER -47.75 -59.58 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.11 110.042 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.34 -21.83 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 73.32 109.281 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.504 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 4.6 t60 -91.92 -25.72 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.01 109.591 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.49 ' OE1' ' CD1' ' A' ' 464' ' ' LEU . 48.2 mt-30 -86.21 -18.35 32.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 74.33 110.197 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.5 OUTLIER -90.95 -49.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.54 109.332 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.9 m-80 -56.12 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 71.01 109.304 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.504 ' HG3' ' CE1' ' A' ' 467' ' ' HIS . 4.1 mm100 -40.58 -46.24 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.23 110.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -51.84 -53.71 37.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 63.41 109.27 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.467 ' HE3' ' CG2' ' A' ' 486' ' ' VAL . 8.4 mtt -53.01 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 74.24 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.466 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -53.08 -19.06 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 71.3 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.7 t -81.53 -30.83 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 61.02 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.511 ' ND2' HE22 ' A' ' 480' ' ' GLN . 47.7 t30 -137.76 90.63 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.11 109.326 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -112.75 -20.64 11.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 74.22 109.26 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.455 HG23 ' CD ' ' A' ' 479' ' ' ARG . 6.7 t -74.34 -1.51 21.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.2 110.473 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.455 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.4 OUTLIER -107.49 -72.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.543 1.152 . . . . 71.31 110.275 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.511 HE22 ' ND2' ' A' ' 476' ' ' ASN . 3.9 pm0 -116.49 -32.38 5.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 73.02 110.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 36.8 53.39 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 44.44 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.49 97.55 36.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.529 0.782 . . . . 72.51 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.85 0.92 8.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.558 1.82 . . . . 64.24 111.074 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.5 42.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.11 109.313 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.428 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 30.3 p -120.27 41.42 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 74.21 108.264 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.467 ' CG2' ' HE3' ' A' ' 473' ' ' MET . 2.1 t -118.81 126.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 71.2 109.321 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.451 ' HB ' ' CG1' ' A' ' 453' ' ' ILE . 4.9 mm -133.04 93.05 23.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.14 109.222 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 95.34 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 72.01 110.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.5 t80 -78.3 158.06 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.24 111.034 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.457 HD22 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -145.75 104.13 4.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 74.31 109.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 171.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 64.31 111.024 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -76.19 -27.43 56.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 72.03 109.361 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.458 ' CB ' HD13 ' A' ' 408' ' ' ILE . 4.5 mm-40 -61.97 -34.44 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 73.03 110.292 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.9 m -121.92 176.65 5.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.35 110.001 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' SER . . . . . 0.457 ' CA ' HD22 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.69 166.51 18.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 73.42 110.005 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.18 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.443 1.76 . . . . 74.33 111.0 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.48 -26.19 67.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 74.35 109.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -72.38 -11.86 60.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 71.35 110.255 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 7.5 mt -92.66 164.84 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.01 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 167.44 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 73.4 109.956 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -72.76 -5.44 37.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 73.13 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.5 OUTLIER -85.25 -38.14 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 71.01 109.269 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 54.3 m -42.13 -40.58 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 73.22 110.36 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.76 83.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.21 109.266 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -75.74 -14.29 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.04 109.954 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 46.3 mt -83.17 -35.32 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.43 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.5 pp -109.1 15.59 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 74.35 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 11.6 p -71.31 106.58 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 71.12 110.003 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 118.62 -29.67 6.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.101 . . . . 75.13 111.018 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.402 ' CD1' ' HB ' ' A' ' 486' ' ' VAL . 22.5 mt -76.81 -174.96 3.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 0.75 . . . . 72.44 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.0 t -113.29 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 73.32 109.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.474 ' CZ ' ' OD1' ' A' ' 514' ' ' ASP . 0.0 OUTLIER -53.42 112.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 74.44 110.298 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.477 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 6.0 tp -87.63 134.48 33.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.24 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 12.3 m-20 -121.03 167.63 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 70.43 109.335 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 411' ' ' ARG . 18.7 tt0 -122.07 5.5 9.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 75.45 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.25 12.07 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 75.43 109.513 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 5.5 t -95.86 139.12 32.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.1 110.032 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.96 -4.77 53.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.44 110.301 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.46 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.26 -26.34 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.03 109.212 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.7 OUTLIER -40.0 -35.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.14 110.993 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 419' ' ' LEU . . . -55.35 -47.27 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 75.23 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.9 -20.35 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.42 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.46 ' CD ' HD11 ' A' ' 519' ' ' ILE . 12.9 mmmt -74.05 -44.04 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.31 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.32 -39.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 75.01 109.299 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -73.87 -3.94 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 75.4 109.339 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -96.54 -38.48 9.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.579 1.175 . . . . 74.12 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 10.2 t -92.3 -53.99 4.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 73.04 110.443 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.443 ' CD1' ' CD1' ' A' ' 451' ' ' PHE . 43.1 m-85 -85.99 44.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 74.21 111.028 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 29.2 mttm -48.52 157.94 0.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.35 109.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 73.25 111.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.0 OUTLIER -65.08 -11.62 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 63.52 109.624 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 0.6 OUTLIER -84.86 -44.91 12.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 73.54 110.261 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.475 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 1.4 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 74.24 109.312 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 21.8 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.474 0.178 . . . . 72.15 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -112.68 -14.07 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 75.01 109.332 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 24.6 p90 -174.27 141.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 73.22 110.946 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 445' ' ' ALA . 1.0 OUTLIER -101.74 115.83 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.159 . . . . 74.41 109.326 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.452 ' CD1' HG23 ' A' ' 426' ' ' THR . 76.9 mt -80.19 119.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 72.15 109.278 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 0.7 OUTLIER -101.85 102.82 13.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.598 1.186 . . . . 74.01 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 16.4 p80 -134.1 -170.2 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.24 109.583 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -86.61 -162.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.12 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -16.73 18.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 74.12 110.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 17.0 23.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 74.44 109.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.17 27.67 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 64.34 109.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.551 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 41.2 tt0 -64.08 -74.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.395 1.059 . . . . 73.24 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 1.8 p80 -37.82 -34.78 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 62.33 109.609 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.462 HD11 ' CB ' ' A' ' 493' ' ' GLU . 24.3 mt -60.58 -56.08 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.23 109.324 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -62.72 -45.84 90.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 75.31 109.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.408 HD21 ' CZ ' ' A' ' 413' ' ' ARG . 13.3 mt -61.43 -21.98 64.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 75.25 109.272 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -81.87 -13.1 58.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.51 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.475 HG23 ' CZ ' ' A' ' 489' ' ' PHE . 6.1 t -96.51 -53.38 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 71.1 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -35.35 -43.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 74.45 110.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 415' ' ' LYS . 66.6 mm-40 -72.28 -61.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 74.43 110.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.51 -52.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 75.51 109.37 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 397' ' ' PHE . 80.5 mt -45.34 -60.12 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.074 . . . . 75.14 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 2.9 mt-10 -36.54 -33.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.55 110.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 416' ' ' LEU . . . -63.2 -55.59 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 74.43 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 524' ' ' VAL . 1.7 mt -64.57 -45.69 85.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 75.12 109.379 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.34 -70.64 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 71.34 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.61 137.77 1.05 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 71.52 109.256 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.0 Cg_endo -74.99 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 72.41 110.956 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.505 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 5.8 p-10 -59.15 -44.53 92.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 74.23 109.266 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 395' ' ' TYR . . . 81.14 -94.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.585 1.178 . . . . 73.54 111.041 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 63.33 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.494 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.0 p -152.54 108.02 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 73.42 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 427' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.43 110.995 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.243 -0.281 . . . . 73.02 110.243 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.448 ' O ' ' ND1' ' A' ' 448' ' ' HIS . 15.8 t70 -53.45 -35.57 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 75.42 109.27 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 448' ' ' HIS . . . -75.76 -26.39 57.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.44 109.322 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.472 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 mt -77.34 -10.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.02 109.332 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.13 -49.35 3.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.31 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.651 ' CD2' ' N ' ' A' ' 449' ' ' SER . 5.5 p-80 -88.32 -53.77 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 64.23 109.633 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.651 ' N ' ' CD2' ' A' ' 448' ' ' HIS . 0.1 OUTLIER -70.77 151.37 44.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 63.15 109.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.11 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 73.35 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 485' ' ' CYS . 19.3 m-30 -120.02 134.43 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.41 111.001 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.555 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 16.4 mm -70.99 134.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.03 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.633 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 6.1 mt -108.34 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.3 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 6.7 mt -88.89 107.42 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 63.13 109.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.5 tp -75.33 79.5 2.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 75.23 109.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 91.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 74.14 109.294 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.469 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 77.5 p -127.84 150.38 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.063 . . . . 75.51 110.379 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 77.5 p -59.84 -15.38 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 72.52 109.953 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -91.09 -20.61 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 71.34 109.259 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 79.6 t80 -111.43 172.42 6.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 74.42 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.495 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -125.72 131.29 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.2 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 464' ' ' LEU . 12.2 t -94.03 -42.42 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.13 108.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 462' ' ' CYS . 42.0 mtp180 -38.61 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.11 110.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -84.64 -71.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 71.34 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -41.53 -59.42 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 75.12 110.02 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 466' ' ' LEU . 1.6 tm? -48.24 -37.92 17.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 70.44 109.301 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.9 OUTLIER -73.54 -31.0 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 62.02 109.541 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 6.5 mt-30 -77.74 -69.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 73.4 110.364 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 5.2 p -41.75 -50.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 74.4 109.326 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.1 m-80 -43.39 -48.9 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 72.13 109.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -68.63 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 73.42 110.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -66.06 -27.17 67.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.21 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.428 ' CE ' ' SG ' ' A' ' 485' ' ' CYS . 16.2 mtt -72.75 -57.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.14 110.988 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -66.47 -8.35 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.1 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -108.47 -1.12 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.52 110.003 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 476' ' ' ASN . 29.5 t-20 -130.46 52.42 2.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.54 109.338 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 3.7 mt -96.82 -15.8 21.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 73.4 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.4 t -85.9 1.82 48.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 71.1 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -111.35 -72.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 72.43 110.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 3.5 pt20 -119.4 -36.82 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 72.22 110.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 56.43 55.5 29.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 74.21 110.971 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.0 m -127.76 107.69 20.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 64.54 109.983 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.566 1.824 . . . . 74.34 111.091 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.45 33.61 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 73.33 109.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 451' ' ' PHE . 26.2 p -107.02 34.55 3.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 62.42 108.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.483 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 45.9 t -129.98 136.38 58.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 72.52 109.24 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 4.7 mm -141.46 101.52 6.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 72.31 109.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.532 1.806 . . . . 75.34 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.475 ' CZ ' HG23 ' A' ' 412' ' ' VAL . 6.4 t80 -80.08 158.42 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 73.5 110.971 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 101.14 5.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.32 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.468 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.56 1.821 . . . . 74.23 110.99 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.8 mp -76.78 -27.75 55.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 75.21 109.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.462 ' CB ' HD11 ' A' ' 408' ' ' ILE . 6.6 mm-40 -64.06 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 62.11 110.257 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 16.6 m -118.99 173.08 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 61.33 109.991 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.8 165.27 23.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 74.4 109.948 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . 0.407 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.0 -32.95 4.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 73.1 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.82 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 64.02 109.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.37 -9.61 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.13 110.26 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.417 ' CD1' HG22 ' A' ' 503' ' ' THR . 4.2 mt -97.3 163.0 13.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 71.34 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 50.0 m -66.26 161.32 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 74.12 110.016 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 44.0 t -65.17 -11.18 37.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 42.51 109.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.4 m-20 -81.39 -40.01 24.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 73.44 109.251 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.4 m -41.96 -38.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 72.15 110.418 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.68 89.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.471 1.107 . . . . 62.55 109.248 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 30.5 t -73.98 -18.52 60.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 73.13 109.956 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 58.4 mt -76.22 -35.33 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.15 109.225 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.8 pp -110.42 16.3 21.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 75.32 109.313 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 107.4 6.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 74.44 109.997 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.29 -24.31 7.78 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 70.34 111.077 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.46 -178.81 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 0.718 . . . . 74.43 109.275 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.465 HG12 ' CE ' ' A' ' 523' ' ' LYS . 76.1 t -108.97 99.68 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.21 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 496' ' ' PRO . 4.1 ttm180 -66.89 121.56 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 73.45 110.376 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 4.4 tp -83.25 153.2 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 72.2 109.364 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 3.4 m-20 -135.88 167.54 21.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 72.4 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -126.33 1.78 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 70.35 110.275 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.7 11.65 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 55.24 109.591 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.0 t -99.25 137.3 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 74.24 110.062 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.75 -2.24 38.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 74.13 110.308 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.47 HD12 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.58 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 71.33 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.29 -35.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.22 110.985 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.17 74.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.42 109.271 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.446 ' O ' ' ND2' ' A' ' 526' ' ' ASN . 2.0 mpt_? -74.21 -21.53 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 70.13 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.47 ' CD ' HD12 ' A' ' 519' ' ' ILE . 20.7 mmmt -72.99 -42.33 63.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 75.41 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 419' ' ' LEU . 1.0 OUTLIER -77.84 -44.4 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 73.15 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.67 -9.15 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 63.21 109.324 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.4 m-20 -86.72 -49.9 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 70.31 109.378 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 9.9 t -85.15 -54.97 4.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.44 110.368 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 527' ' ' THR . 41.9 m-85 -84.03 47.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 75.34 111.041 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 66.0 mttt -54.92 159.36 3.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.066 . . . . 75.14 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 63.2 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.564 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 7.6 p80 -56.77 -18.1 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 74.31 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 1.3 mpt_? -99.51 -42.0 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 72.54 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.413 HD23 ' CA ' ' A' ' 528' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.42 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 8.2 m-30 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.535 0.207 . . . . 74.43 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.8 m-80 -111.58 -14.22 13.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 75.03 109.253 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.71 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 3.2 p90 -165.5 147.82 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 73.34 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.548 HG23 ' CD2' ' A' ' 427' ' ' PHE . 1.0 OUTLIER -106.4 114.61 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 74.43 109.322 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.48 101.41 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 74.43 109.276 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.3 mm? -79.81 122.71 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.3 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.5 p80 -157.32 165.14 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 74.31 109.618 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.69 -162.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.15 109.277 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.12 -11.54 21.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 75.15 110.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.52 16.63 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.32 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 457' ' ' THR . 0.3 OUTLIER -123.89 26.44 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.5 109.264 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 22.4 tt0 -66.89 -76.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 75.51 110.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.513 ' CE1' HG13 ' A' ' 408' ' ' ILE . 8.5 p-80 -38.34 -31.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 71.13 109.536 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.513 HG13 ' CE1' ' A' ' 407' ' ' HIS . 22.8 mt -63.65 -57.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.31 109.35 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -63.45 -50.43 69.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 74.5 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 410' ' ' LEU . 2.4 mt -49.55 -24.96 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.44 109.379 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -80.35 -33.13 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 72.42 110.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.7 t -74.12 -54.27 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 74.52 109.262 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.465 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 8.5 mtm180 -36.56 -49.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 63.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 415' ' ' LYS . 95.0 mt-10 -66.53 -59.01 4.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 71.25 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -38.69 -50.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 75.14 109.298 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.686 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 97.0 mt -48.92 -57.3 6.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 74.42 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 416' ' ' LEU . 34.2 mt-10 -38.52 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 63.32 110.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 416' ' ' LEU . . . -66.02 -54.5 25.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.48 1.112 . . . . 74.13 109.358 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 524' ' ' VAL . 1.9 mt -65.91 -45.72 80.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 75.22 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.63 -71.75 0.13 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.444 1.09 . . . . 70.22 110.936 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.71 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.62 137.53 1.08 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 74.03 109.297 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -167.9 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 73.42 111.04 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.503 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -55.11 -45.49 75.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 72.02 109.329 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 83.22 -94.93 1.81 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 71.3 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.76 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 71.52 109.262 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 7.1 p -151.82 142.9 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 72.1 110.393 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.548 ' CD2' HG23 ' A' ' 398' ' ' VAL . 3.3 m-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.21 110.953 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.42 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.361 -0.237 . . . . 72.53 110.361 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 23.3 t70 -60.99 -15.41 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 74.51 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 74.03 109.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.434 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 6.2 mt -56.61 -31.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 74.33 109.368 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.588 ' OD2' ' CE1' ' A' ' 448' ' ' HIS . 4.8 p-10 -96.77 -56.73 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.23 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.588 ' CE1' ' OD2' ' A' ' 447' ' ' ASP . 1.6 m-70 -60.87 -62.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.51 109.591 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 445' ' ' ALA . 1.1 p -71.31 157.68 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 72.41 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.453 ' CB ' HD11 ' A' ' 533' ' ' LEU . . . -71.85 -78.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.41 109.255 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 3.2 m-85 -116.38 129.1 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 74.25 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 445' ' ' ALA . 27.4 mm -69.17 129.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 73.55 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.533 HD11 ' CD2' ' A' ' 397' ' ' PHE . 2.9 mt -106.96 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.34 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 489' ' ' PHE . 2.6 mm? -102.93 104.85 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.21 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.483 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 8.6 tp -69.85 86.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 75.41 109.323 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.8 mt -65.57 92.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.44 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.483 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 16.5 p -129.96 145.2 51.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 74.13 110.37 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 82.1 p -56.87 -18.11 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 71.1 109.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -86.31 -25.75 25.28 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 70.24 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 49.3 t80 -107.38 172.59 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 63.44 110.995 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -115.4 141.26 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 74.45 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 463' ' ' ARG . 3.4 m -92.09 -54.85 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 75.22 108.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.3 OUTLIER -38.64 -57.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.21 110.37 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.437 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 1.4 tm? -44.67 -65.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.03 109.313 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.3 OUTLIER -47.0 -62.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 53.31 109.9 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 466' ' ' LEU . 0.3 OUTLIER -51.66 -23.08 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 72.43 109.321 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 463' ' ' ARG . 0.2 OUTLIER -86.57 -28.96 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 72.43 109.582 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 465' ' ' SER . 9.0 mt-30 -83.06 -62.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 62.53 110.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.3 p -42.12 -43.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.55 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 471' ' ' GLN . 2.0 m-80 -61.45 -67.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 1.184 . . . . 72.32 109.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.0 mm100 -38.63 -46.46 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 74.33 110.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -61.96 -51.69 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 63.12 109.355 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.464 ' HE2' ' CG2' ' A' ' 486' ' ' VAL . 4.4 mtt -51.5 -68.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.12 111.056 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.46 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.8 OUTLIER -55.59 -17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 74.13 110.934 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 4.4 m -84.49 -27.24 27.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 54.31 109.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 48.7 t30 -137.81 86.88 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 72.14 109.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.6 mt -111.03 -20.71 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 73.22 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.4 t -77.01 0.8 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.1 110.389 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 7.6 mmt85 -103.2 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.32 110.324 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.434 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 3.3 pt20 -116.7 -35.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 75.1 110.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 42.26 54.56 4.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 53.52 110.975 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 485' ' ' CYS . 4.7 m -113.13 94.76 31.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.12 109.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.17 8.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.55 1.816 . . . . 70.23 111.042 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.57 26.58 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 65.41 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.446 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 32.0 p -107.01 24.41 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 72.51 108.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 4.4 t -111.12 124.82 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.22 109.365 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 2.0 mm -137.55 94.89 11.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 72.4 109.224 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 100.9 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 74.23 110.993 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 454' ' ' LEU . 6.1 t80 -78.06 168.49 19.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 72.22 110.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 490' ' ' LEU . 0.4 OUTLIER -151.31 100.42 2.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 54.2 109.346 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.57 34.43 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.405 1.74 . . . . 75.33 111.038 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.4 mp -53.65 -39.18 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 74.41 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.94 -28.6 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.44 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -114.91 177.74 4.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 73.02 110.049 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.39 159.33 42.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 62.03 110.061 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.9 11.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 72.44 110.999 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -68.4 -22.62 64.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.4 109.241 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 5.0 mt-30 -77.14 -10.37 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 55.34 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 4.5 mt -96.88 160.29 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.41 109.294 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 158.73 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.591 1.182 . . . . 72.14 110.02 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 12.4 t -67.79 -10.14 50.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 61.51 109.944 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 505' ' ' SER . 27.1 m-20 -80.82 -37.34 30.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.379 1.049 . . . . 74.44 109.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 19.5 m -41.35 -53.31 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 72.14 110.385 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.11 -39.99 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 75.02 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 502' ' ' ASP . 67.2 m -79.07 -27.17 43.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 73.12 110.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 69.7 mt -66.44 -26.45 67.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.483 1.114 . . . . 74.03 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.83 24.77 7.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 73.41 109.292 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -31.73 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 75.2 110.088 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -104.94 -29.38 5.25 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 61.42 110.944 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.451 ' CD1' HG11 ' A' ' 486' ' ' VAL . 18.0 mt -61.85 -178.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 72.34 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.2 t -119.7 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 75.35 109.323 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 507' ' ' LEU . 12.4 ttp180 -53.68 105.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 75.12 110.281 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 520' ' ' PHE . 5.8 tp -83.55 130.34 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 72.22 109.342 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.54 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 14.6 m-20 -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.519 1.137 . . . . 74.41 109.42 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 19.8 tp10 -114.91 -13.15 11.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.147 . . . . 74.24 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -97.12 -18.91 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 73.31 109.59 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.83 134.41 46.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 74.03 110.052 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.13 4.06 21.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 64.42 110.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -108.17 -25.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.21 109.296 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.0 t80 -40.16 -35.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 74.35 111.049 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 419' ' ' LEU . . . -54.73 -47.35 73.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 72.42 109.265 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.46 -19.0 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 75.22 110.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.443 ' CD ' HD13 ' A' ' 519' ' ' ILE . 18.1 mmmt -75.19 -44.37 46.92 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 63.34 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 419' ' ' LEU . 1.0 OUTLIER -72.78 -40.53 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.51 109.378 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.66 -3.13 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 72.25 109.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -97.77 -33.96 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.11 109.296 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.453 HG23 ' CD2' ' A' ' 528' ' ' PHE . 9.7 t -100.99 -54.55 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.34 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.465 ' CE2' HD13 ' A' ' 453' ' ' ILE . 52.0 m-85 -84.91 56.76 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 74.32 111.049 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.458 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 38.9 mttt -72.03 154.57 92.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.33 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -10.59 21.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 72.33 110.965 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.56 -12.0 21.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 75.12 109.557 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -97.62 -42.32 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 74.31 110.276 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.467 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.035 . . . . 74.43 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.531 0.205 . . . . 74.34 111.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 21.3 m-80 -113.36 -12.84 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 75.24 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.709 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 18.7 p90 -172.16 127.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 74.24 110.989 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.505 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 2.7 p -89.33 107.28 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 70.5 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.41 ' CG2' HD21 ' A' ' 455' ' ' LEU . 77.1 mt -74.22 98.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 72.33 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 1.6 mt -80.88 103.89 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 75.42 109.361 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.2 p80 -136.61 172.45 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 75.53 109.534 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.487 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -66.9 -161.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.372 1.045 . . . . 72.53 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -27.42 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 72.43 110.349 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -95.6 16.84 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 73.43 109.323 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.42 27.69 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 65.2 109.24 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.0 tt0 -65.59 -75.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 72.44 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 408' ' ' ILE . 9.9 p-80 -38.02 -36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.44 109.622 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.521 HG13 ' CE1' ' A' ' 407' ' ' HIS . 41.8 mt -58.26 -60.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.399 1.062 . . . . 75.42 109.259 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -60.65 -51.87 67.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 70.42 109.341 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 410' ' ' LEU . 2.3 mt -50.32 -27.76 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 75.32 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -78.23 -31.31 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 74.12 110.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -76.27 -55.14 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 71.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -34.57 -49.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 72.45 110.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 415' ' ' LYS . 68.0 mm-40 -68.15 -58.45 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 70.11 110.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -39.9 -56.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 73.2 109.233 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 397' ' ' PHE . 46.0 mt -39.32 -56.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.21 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' LEU . 17.3 mt-10 -36.8 -49.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 75.41 110.415 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -47.72 -48.25 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.13 109.386 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 520' ' ' PHE . 3.6 mt -71.52 -46.03 60.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 75.21 109.315 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 166.87 -72.57 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 72.42 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.709 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.37 137.02 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.408 0.711 . . . . 74.42 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.01 -169.13 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.53 1.805 . . . . 52.52 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.514 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -53.72 -46.51 70.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 71.1 109.325 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 83.77 -94.34 1.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 54.3 111.044 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.72 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.737 . . . . 73.41 109.4 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.6 p -146.61 168.39 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 55.42 110.356 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 73.31 111.02 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.26 -0.274 . . . . 75.22 110.26 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.4 t70 -76.01 -11.7 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 73.24 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -83.88 -18.69 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.14 109.233 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.467 ' CG1' ' SG ' ' A' ' 485' ' ' CYS . 0.8 OUTLIER -76.29 -28.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 73.11 109.329 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.484 ' CB ' ' OE1' ' A' ' 480' ' ' GLN . 0.7 OUTLIER -104.07 -31.15 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 74.02 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 7.6 t60 -91.2 21.34 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 75.15 109.595 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.56 146.83 13.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.24 109.966 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -50.26 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 73.24 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -127.32 138.4 53.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 73.21 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.465 ' CG2' HG11 ' A' ' 398' ' ' VAL . 21.6 mm -74.74 130.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 70.12 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.586 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 4.3 mt -107.64 110.56 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.169 . . . . 73.23 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.501 ' CD1' ' OG ' ' A' ' 465' ' ' SER . 1.8 mm? -89.48 101.93 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 72.25 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.5 tp -67.3 81.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 63.1 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 507' ' ' LEU . 9.4 mt -64.16 91.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 74.25 109.377 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.475 HG23 ' CD ' ' A' ' 491' ' ' PRO . 81.6 p -127.88 154.32 45.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 71.04 110.439 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.3 m -62.29 -14.82 43.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 72.24 109.904 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 9.1 m-20 -92.41 -15.46 27.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 75.02 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 465' ' ' SER . 26.5 t80 -113.25 174.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 73.22 111.043 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 3.0 m-20 -121.09 138.36 54.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.13 109.314 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.0 -48.33 6.3 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 62.11 108.265 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.3 mtt85 -47.05 -24.28 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 75.24 110.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.7 tm? -88.55 -70.44 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 73.44 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 1.1 p -48.27 -58.56 4.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 64.52 110.02 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.404 ' N ' ' OG ' ' A' ' 465' ' ' SER . 2.5 tm? -51.36 -22.54 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 72.24 109.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -92.97 -26.05 17.72 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.43 1.081 . . . . 74.3 109.571 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 465' ' ' SER . 4.5 mt-30 -85.47 -10.41 56.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 75.32 110.288 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 7.8 p -99.31 -52.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 73.24 109.377 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.447 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.9 m-80 -48.41 -43.57 34.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 64.24 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 475' ' ' SER . 23.7 mm-40 -69.94 -39.88 75.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 73.11 110.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 446' ' ' ILE . . . -54.87 -19.95 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.14 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.479 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.8 mtt -88.19 -66.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 74.44 110.937 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.7 ptm -61.73 -12.49 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 72.15 110.883 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 20.1 t -95.92 -13.86 23.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.164 . . . . 64.32 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 50.3 t30 -148.9 86.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 72.44 109.26 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 473' ' ' MET . 6.8 mt -110.96 -20.45 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.13 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.8 t -77.28 0.87 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.54 110.371 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 4.9 mmm180 -103.34 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 74.31 110.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.484 ' OE1' ' CB ' ' A' ' 447' ' ' ASP . 5.4 pm0 -115.2 -31.63 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.12 110.245 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 50.5 53.93 22.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 73.41 111.02 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 97.3 p -113.21 94.8 32.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 64.02 109.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.98 8.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 74.24 110.973 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.15 43.61 2.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 61.24 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 446' ' ' ILE . 27.0 p -111.12 36.48 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 72.12 108.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 510' ' ' LEU . 2.3 t -119.69 121.69 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 75.14 109.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.635 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 4.8 mm -131.65 90.04 37.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 74.12 109.261 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.424 1.749 . . . . 61.41 111.065 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.418 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 6.9 t80 -77.82 168.86 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.43 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.54 98.86 3.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 71.31 109.319 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.475 ' CD ' HG23 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.11 168.42 24.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 71.24 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 3.4 mp -74.71 -26.13 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.5 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.471 ' CB ' HD13 ' A' ' 408' ' ' ILE . 4.2 mm-40 -63.72 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.34 110.39 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 21.3 m -121.82 178.53 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 74.52 109.96 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.31 163.65 27.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 72.44 110.049 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.92 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 74.52 111.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.06 69.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 71.24 109.386 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -7.41 51.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 71.54 110.317 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 9.6 mt -98.32 163.19 12.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 72.13 109.304 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.85 159.01 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.02 110.02 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -68.88 -12.73 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 73.13 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -86.69 -36.21 18.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 74.23 109.317 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 2.2 m -43.47 -26.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 71.24 110.454 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -68.38 -48.48 64.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 65.21 109.247 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 502' ' ' ASP . 12.4 t -75.41 -19.19 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 72.12 110.01 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 19.0 mt -76.29 -28.5 57.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 74.43 109.195 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 456' ' ' LEU . 3.9 pp -112.89 15.0 19.87 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.563 1.165 . . . . 71.42 109.258 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.61 98.03 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 73.41 110.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 132.05 -12.72 5.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 72.5 111.016 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 486' ' ' VAL . 7.8 mt -90.03 171.81 9.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 75.32 109.245 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.1 t -108.05 85.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 72.04 109.3 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -71.36 129.13 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.3 110.323 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.635 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -100.73 169.88 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.51 109.329 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -140.8 137.69 33.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.31 109.248 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 11.0 tp10 -93.23 5.62 50.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 63.13 110.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.439 ' NE2' ' OD1' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -127.87 15.56 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 71.43 109.614 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.1 t -104.69 152.42 22.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.02 110.043 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.0 -1.59 48.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 63.42 110.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.99 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 72.31 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -40.61 -33.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 419' ' ' LEU . . . -58.07 -46.8 84.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 62.23 109.386 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.23 -22.75 60.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 75.23 110.365 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 26.4 mmmt -71.65 -52.49 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.51 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 419' ' ' LEU . 0.9 OUTLIER -64.7 -38.12 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.643 1.214 . . . . 73.42 109.343 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.15 -2.89 29.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 74.1 109.366 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -102.54 -35.27 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 75.22 109.255 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 1.0 OUTLIER -95.76 -52.89 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 73.43 110.405 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 527' ' ' THR . 37.0 m-85 -89.23 41.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 62.43 111.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 30.6 mttt -40.79 160.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.22 109.226 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 75.2 111.054 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.2 OUTLIER -52.91 -20.9 3.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 71.45 109.614 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.64 -35.55 17.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 75.23 110.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.47 HD21 ' CA ' ' A' ' 528' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.55 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.467 0.175 . . . . 65.45 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.537 ' ND2' ' CD1' ' A' ' 533' ' ' LEU . 34.0 m-20 -113.78 -11.35 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 65.4 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.701 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 9.8 p90 -173.1 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.22 110.923 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 452' ' ' ILE . 2.5 p -95.2 113.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.468 1.105 . . . . 74.42 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 68.0 mt -85.47 103.13 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 73.44 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.0 mt -79.1 129.39 34.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 74.03 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.58 ' CD2' ' HB1' ' A' ' 409' ' ' ALA . 2.1 p80 -166.02 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 64.23 109.624 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.441 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -96.98 155.49 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.13 109.327 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -15.87 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.13 110.283 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -97.06 17.27 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 73.31 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -138.94 22.46 2.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 74.14 109.307 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 20.3 tt0 -65.53 -71.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.32 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 406' ' ' GLU . 16.1 p-80 -37.06 -36.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 72.14 109.572 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.413 HG13 ' CE1' ' A' ' 407' ' ' HIS . 36.2 mt -59.9 -60.94 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 70.22 109.272 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 401' ' ' HIS . . . -58.1 -51.52 69.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 54.1 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.6 mt -48.72 -28.01 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 73.24 109.236 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -77.16 -33.49 56.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 73.12 110.33 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.495 HG23 ' CE1' ' A' ' 489' ' ' PHE . 2.9 t -75.0 -53.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 74.23 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.09 -48.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 73.32 110.254 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 58.2 mt-10 -68.85 -59.78 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.42 110.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -38.44 -55.23 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 71.21 109.276 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.66 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 96.0 mt -41.01 -56.61 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 75.34 109.296 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 7.3 mt-10 -35.78 -42.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 74.24 110.26 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.44 32.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 72.14 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.6 mt -65.98 -45.73 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 71.32 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.78 -69.95 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 74.4 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.701 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.34 137.72 0.98 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.448 0.734 . . . . 73.43 109.288 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.396 1.735 . . . . 75.31 110.974 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.496 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.2 p-10 -58.86 -44.68 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.31 109.268 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 82.08 -94.56 1.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 64.04 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.11 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.593 0.82 . . . . 61.2 109.226 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 7.3 p -149.47 146.81 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.357 1.036 . . . . 64.42 110.4 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.45 ' HB3' ' CD2' ' A' ' 400' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 74.02 111.033 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.455 ' CB ' ' CB ' ' A' ' 472' ' ' ALA . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.303 -0.258 . . . . 70.22 110.303 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.7 m-20 -61.61 -20.2 63.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 73.42 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 452' ' ' ILE . . . -85.24 -35.37 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 72.01 109.321 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 469' ' ' VAL . 3.6 mt -62.82 -23.96 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 74.53 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -102.53 -57.72 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 75.14 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 15.8 m170 -64.71 -54.81 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 72.15 109.573 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.418 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -79.99 154.12 28.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 74.45 109.994 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 451' ' ' PHE . . . -65.95 -75.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 74.5 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 5.0 m-85 -124.74 136.89 54.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.24 110.988 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.469 ' CD1' ' HB1' ' A' ' 445' ' ' ALA . 17.7 mm -76.56 131.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.067 . . . . 65.41 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.557 HD13 ' CD2' ' A' ' 397' ' ' PHE . 5.7 mt -107.05 122.3 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 75.12 109.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 2.2 mt -99.99 100.03 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.21 109.248 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.4 tp -64.85 82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.372 1.045 . . . . 74.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 8.6 mt -62.24 90.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 75.1 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 494' ' ' SER . 43.3 p -124.43 152.22 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 71.53 110.416 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -13.84 27.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 75.32 109.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.29 -22.61 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 75.12 109.264 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.2 t80 -102.82 167.49 9.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 62.33 111.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -112.61 133.5 54.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 75.42 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.6 m -78.93 -60.69 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.11 108.24 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 1.7 mmm180 -39.64 -31.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 75.15 110.288 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -65.83 -71.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 72.45 109.328 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 464' ' ' LEU . 6.9 p -39.16 -61.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 73.04 109.976 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.411 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.8 tm? -51.78 -40.06 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 75.24 109.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 464' ' ' LEU . 19.6 t60 -69.69 -24.29 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.21 109.61 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 464' ' ' LEU . 5.7 mt-30 -85.64 -71.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 73.33 110.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 446' ' ' ILE . 13.2 p -40.3 -39.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.13 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -51.61 -66.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.44 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 475' ' ' SER . 1.9 mt-30 -42.16 -46.26 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.378 1.049 . . . . 64.2 110.259 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.455 ' CB ' ' CB ' ' A' ' 443' ' ' GLN . . . -58.58 -44.0 89.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.42 109.293 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.487 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 9.5 mtt -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.01 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.413 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.9 OUTLIER -66.06 -9.1 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.34 110.98 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 2.9 t -77.86 -52.51 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 65.33 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.439 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 9.6 p-10 -137.63 91.75 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 51.11 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 473' ' ' MET . 16.1 mt -87.82 -40.41 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 72.25 109.295 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.0 t -60.91 -14.13 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 74.53 110.401 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.12 -78.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 63.43 110.349 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -113.93 -30.83 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 73.23 110.263 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 480' ' ' GLN . . . 36.94 51.19 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 63.43 110.975 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.9 m -113.03 94.93 32.38 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 73.31 110.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.33 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.668 1.878 . . . . 74.32 110.974 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.88 16.21 21.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 75.51 109.397 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.448 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 24.1 p -94.64 27.35 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.14 108.369 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.448 ' CG2' ' HE2' ' A' ' 473' ' ' MET . 2.3 t -118.92 112.07 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.41 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.434 ' CG2' HD22 ' A' ' 513' ' ' LEU . 3.3 mm -127.17 95.81 35.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 72.43 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 102.05 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 63.51 110.975 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.495 ' CE1' HG23 ' A' ' 412' ' ' VAL . 6.8 t80 -78.02 159.72 28.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 71.45 111.019 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -139.37 97.73 8.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.54 109.23 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.84 31.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 73.2 110.967 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 516' ' ' HIS . 3.5 mt -58.4 -17.17 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 72.1 109.292 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.37 -28.14 63.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 72.51 110.25 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 15.2 m -122.03 -176.31 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.44 109.933 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.04 163.13 30.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 61.13 109.955 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -30.14 7.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 74.23 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.2 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 64.3 109.331 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -69.52 -10.15 56.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.072 . . . . 75.03 110.324 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 4.8 mt -100.69 167.22 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 74.32 109.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 29.2 m -68.82 159.03 33.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 75.55 110.077 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 42.0 t -69.81 -12.02 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.379 1.05 . . . . 71.33 110.027 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 505' ' ' SER . 11.3 m-20 -82.53 -35.67 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.048 . . . . 73.14 109.245 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.9 m -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 71.54 110.406 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.39 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 53.52 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 502' ' ' ASP . 14.6 t -74.95 -23.0 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.32 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 33.0 mt -69.42 -35.81 76.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 74.2 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.7 pp -110.28 19.41 18.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 72.22 109.327 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.3 t -59.37 103.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 73.04 109.937 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.88 -24.17 10.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.22 110.963 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.415 ' CD1' HG13 ' A' ' 486' ' ' VAL . 40.3 mt -69.22 -175.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 74.3 109.238 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.02 106.99 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 74.05 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.1 ttp-105 -78.55 132.02 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 74.32 110.252 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 490' ' ' LEU . 0.2 OUTLIER -100.68 146.52 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 75.42 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.1 m-20 -145.61 131.37 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 73.31 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 412' ' ' VAL . 1.1 mt-10 -73.84 -3.4 28.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.03 110.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 1.3 p-80 -120.88 45.16 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.13 109.508 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t -136.37 126.05 25.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 74.35 109.97 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -74.72 -2.01 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 72.41 110.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.61 -28.37 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.33 109.225 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 0.2 OUTLIER -39.21 -36.83 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.02 111.04 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.34 -47.65 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.11 109.34 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.1 mpt_? -72.32 -23.02 61.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 74.11 110.308 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.443 ' CD ' HD11 ' A' ' 519' ' ' ILE . 23.2 mmmt -70.82 -44.62 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.45 109.294 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 419' ' ' LEU . 2.1 p -76.1 -43.22 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 74.21 109.318 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 524' ' ' VAL . . . -67.83 -9.77 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.42 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.3 m-20 -85.12 -53.8 5.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 72.42 109.25 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 11.8 t -79.14 -53.7 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 75.41 110.363 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 527' ' ' THR . 56.9 m-85 -86.67 59.02 5.39 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.575 1.172 . . . . 74.14 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 56.2 mttt -69.54 153.75 95.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.062 . . . . 51.04 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.98 9.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 75.11 110.986 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -71.5 -11.11 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.44 109.649 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -101.99 -52.5 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.24 110.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.537 ' CD1' ' ND2' ' A' ' 396' ' ' ASN . 2.5 mm? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 73.13 109.325 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 17.6 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.529 0.204 . . . . 72.14 110.982 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.487 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 2.2 m-80 -122.42 -0.35 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.14 109.225 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 416' ' ' LEU . 9.7 p90 -178.78 166.96 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.21 110.984 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.5 t -130.35 100.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 71.42 109.266 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 397' ' ' PHE . 68.4 mt -76.58 96.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 73.31 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -76.28 116.36 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 65.44 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -146.85 175.01 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.2 109.587 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.459 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.49 -163.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 74.43 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -13.12 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 63.14 110.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 16.71 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.32 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.431 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -123.6 30.63 6.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 61.42 109.264 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.3 tt0 -67.07 -76.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 74.11 110.301 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.536 ' CE1' HG13 ' A' ' 408' ' ' ILE . 5.7 p-80 -37.26 -42.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.33 109.622 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.536 HG13 ' CE1' ' A' ' 407' ' ' HIS . 69.7 mt -55.16 -58.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 74.5 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.99 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 75.22 109.251 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.21 -15.52 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.24 109.261 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -78.62 -23.96 45.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 71.12 110.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 489' ' ' PHE . 3.8 t -90.1 -53.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.24 109.381 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 7.4 mtm180 -35.69 -40.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.567 1.167 . . . . 75.41 110.322 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.97 -53.15 11.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.43 110.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 412' ' ' VAL . 0.4 OUTLIER -53.97 -24.79 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 70.03 109.306 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 397' ' ' PHE . 9.0 mt -69.7 -33.87 73.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 72.12 109.34 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.06 -8.12 54.97 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 73.02 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -96.49 -3.11 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 50.05 109.287 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.471 ' CD1' HG11 ' A' ' 524' ' ' VAL . 3.7 mt -118.49 -42.19 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 75.23 109.306 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 166.98 -65.6 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.575 1.172 . . . . 73.12 111.015 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 1.2 p -52.14 143.04 26.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.386 0.698 . . . . 65.3 109.369 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 72.34 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.469 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.9 OUTLIER -71.4 -17.04 62.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.15 109.321 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.591 ' O ' ' CD1' ' A' ' 395' ' ' TYR . . . 54.32 -95.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.429 1.08 . . . . 62.11 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.98 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.02 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.9 p -151.65 145.19 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.53 110.358 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.41 ' CB ' ' CG1' ' A' ' 398' ' ' VAL . 18.9 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 74.21 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 12.8 mt-30 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.275 -0.269 . . . . 74.44 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.539 ' CG ' ' CD2' ' A' ' 448' ' ' HIS . 7.1 t0 -67.39 -28.51 67.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 73.33 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 452' ' ' ILE . . . -72.79 -5.75 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 72.24 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.546 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 8.6 mt -104.37 -21.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 75.12 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.54 ' OD1' ' CG ' ' A' ' 448' ' ' HIS . 3.8 p-10 -103.66 -12.38 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 73.11 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.54 ' CG ' ' OD1' ' A' ' 447' ' ' ASP . 5.3 m-70 -115.39 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 72.12 109.576 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.453 ' OG ' ' CA ' ' A' ' 397' ' ' PHE . 0.1 OUTLIER -70.92 163.31 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 64.21 109.989 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.515 ' HB2' ' CE1' ' A' ' 451' ' ' PHE . . . -75.68 -76.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 72.33 109.397 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 1.4 m-85 -123.72 136.16 54.28 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.449 1.093 . . . . 74.41 110.978 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.447 ' CD1' ' HB1' ' A' ' 445' ' ' ALA . 2.7 mm -77.17 138.6 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 75.24 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.572 HD13 ' CZ ' ' A' ' 528' ' ' PHE . 5.9 mt -111.93 113.8 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 75.43 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 454' ' ' LEU . 0.7 OUTLIER -92.7 93.03 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 75.11 109.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 489' ' ' PHE . 9.6 tp -63.47 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.52 109.242 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.6 mt -62.34 84.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 75.55 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.47 HG21 ' CG ' ' A' ' 491' ' ' PRO . 37.7 p -123.99 150.83 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 74.3 110.482 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -15.46 36.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 72.35 110.069 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 50.4 m-20 -89.27 -18.32 27.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 71.41 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 50.7 t80 -115.54 168.97 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 73.45 111.063 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.569 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 5.5 t0 -107.76 130.17 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 53.5 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.92 -53.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 51.11 108.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -38.88 -45.74 1.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.083 . . . . 71.32 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.1 tm? -73.1 -57.88 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 75.51 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 460' ' ' PHE . 6.7 p -38.84 -62.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 73.23 110.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.46 ' N ' ' HG ' ' A' ' 465' ' ' SER . 2.3 tm? -52.32 -39.23 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 65.3 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.0 t60 -58.44 -45.98 87.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 75.45 109.646 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -60.15 -70.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 64.32 110.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.427 ' CG2' ' HE3' ' A' ' 473' ' ' MET . 8.7 p -45.01 -40.23 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.21 109.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -59.62 -74.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 74.53 109.28 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.3 mm100 -38.26 -47.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 75.41 110.29 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -56.41 -51.92 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 54.11 109.313 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 476' ' ' ASN . 19.9 mtt -54.93 -74.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 74.13 111.01 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -23.59 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.441 1.088 . . . . 73.1 111.065 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 15.0 t -77.92 -37.31 48.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 74.03 110.045 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 473' ' ' MET . 49.6 t30 -137.41 92.73 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 65.12 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 7.0 mt -106.77 -25.66 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 72.44 109.256 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.2 t -61.63 -12.82 17.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 73.43 110.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -99.33 -69.81 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 75.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.546 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 0.0 OUTLIER -91.07 -51.11 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 74.12 110.292 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 51.64 23.66 10.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 72.03 111.008 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.7 m -120.91 102.08 44.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 74.1 110.062 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 0.38 8.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 75.14 111.049 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.94 -4.34 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.604 1.19 . . . . 74.44 109.339 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 29.5 m -62.23 -19.89 63.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.4 108.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 510' ' ' LEU . 39.3 t -74.41 123.51 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 64.24 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 2.5 mm -127.12 93.65 41.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 74.32 109.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 74.42 110.975 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 412' ' ' VAL . 6.2 t80 -84.55 158.17 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 73.5 110.966 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -140.66 105.63 6.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 73.55 109.322 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.47 ' CG ' HG21 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 172.24 16.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 71.05 110.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -75.69 -32.22 60.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.41 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.46 -37.67 83.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 72.3 110.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.06 166.11 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 72.24 110.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.12 167.11 14.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 45.44 109.964 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.28 3.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.556 1.819 . . . . 74.12 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.76 -27.9 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.21 109.307 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.12 -13.31 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 70.21 110.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 6.7 mt -93.06 169.87 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 63.04 109.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.2 t -63.3 -175.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 72.44 109.978 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -30.54 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.53 110.033 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 505' ' ' SER . 43.9 m-20 -76.54 -33.37 58.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.214 . . . . 72.44 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.47 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.0 OUTLIER -45.0 -25.95 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 72.55 110.388 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.66 47.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 73.13 109.356 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -78.15 -15.8 58.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 70.12 110.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 86.7 mt -71.59 -28.3 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 71.33 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.0 pp -109.53 9.71 25.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 75.4 109.379 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.0 t -62.65 105.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 71.25 110.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.6 -22.19 12.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 74.2 110.95 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 486' ' ' VAL . 11.1 mt -78.37 -174.37 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 0.713 . . . . 74.11 109.3 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 13.8 t -111.19 92.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 71.23 109.261 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.426 ' NE ' ' OD1' ' A' ' 514' ' ' ASP . 1.1 tmm_? -59.74 102.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.54 110.345 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.84 145.87 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 73.51 109.252 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.7 m-20 -140.38 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.33 109.294 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.406 ' CG ' HD13 ' A' ' 492' ' ' LEU . 9.3 tp10 -111.07 -30.0 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 74.23 110.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.17 21.84 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.4 109.578 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.3 t -106.04 135.37 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 75.31 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.69 -1.44 46.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 72.15 110.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -108.49 -25.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 73.43 109.29 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.2 t80 -40.17 -35.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 73.3 111.012 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.33 76.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 62.52 109.289 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.1 -19.37 60.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 73.5 110.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.434 ' CD ' HD13 ' A' ' 519' ' ' ILE . 28.8 mmmt -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 73.22 109.267 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -73.97 -40.6 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 73.15 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.54 -4.58 34.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 70.1 109.318 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 7.7 m-20 -95.12 -41.37 9.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 64.13 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.6 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 13.2 t -94.3 -53.45 3.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 71.12 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 453' ' ' ILE . 65.0 m-85 -88.53 54.94 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.45 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 23.1 mttt -64.88 153.73 87.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 73.24 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.98 11.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 72.32 110.987 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.652 ' CD2' ' CD ' ' A' ' 532' ' ' ARG . 52.8 p-80 -84.74 -12.86 52.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 74.32 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.652 ' CD ' ' CD2' ' A' ' 531' ' ' HIS . 0.7 OUTLIER -94.05 -19.19 21.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 64.44 110.231 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.487 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 4.3 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 74.04 109.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 425' ' ' ALA . 5.5 m-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.515 0.198 . . . . 65.13 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.514 ' ND2' ' CD ' ' A' ' 422' ' ' PRO . 16.4 m-20 -107.31 -5.48 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 71.11 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 416' ' ' LEU . 5.6 p90 -177.75 156.93 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 75.25 110.932 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.3 OUTLIER -118.71 112.48 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 73.21 109.22 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.544 HD12 ' CE1' ' A' ' 397' ' ' PHE . 76.7 mt -88.66 101.46 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.594 1.184 . . . . 71.14 109.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.593 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -88.4 97.69 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 74.02 109.258 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 14.9 p80 -128.48 165.3 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 74.5 109.647 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.49 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -59.93 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.43 109.307 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -100.22 -9.63 22.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.34 110.309 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.67 17.16 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 72.23 109.227 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.508 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.0 OUTLIER -128.21 36.57 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 73.14 109.318 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 25.6 tt0 -69.82 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 73.23 110.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.455 ' CE1' HG13 ' A' ' 408' ' ' ILE . 3.1 p-80 -38.21 -35.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 74.42 109.608 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 407' ' ' HIS . 75.9 mt -58.06 -55.61 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 71.33 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.83 -48.31 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 70.34 109.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 410' ' ' LEU . 2.2 mt -52.94 -22.26 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 65.53 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -82.71 -29.63 29.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.592 1.183 . . . . 74.42 110.161 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.566 HG21 ' CE2' ' A' ' 489' ' ' PHE . 11.5 t -78.07 -52.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 73.04 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 6.5 mtm180 -37.52 -50.69 1.13 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 72.44 110.201 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 417' ' ' GLU . 81.7 mt-10 -66.73 -52.98 38.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 74.34 110.334 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -29.49 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 74.43 109.351 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 397' ' ' PHE . 64.4 mt -71.49 -37.94 71.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.5 109.289 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.2 mt-10 -72.05 -8.17 53.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 74.5 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.78 -6.88 55.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.55 109.333 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.8 mt -118.76 -44.92 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 74.12 109.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.03 -72.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 73.32 110.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -45.24 141.58 3.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.544 0.791 . . . . 71.34 109.335 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.514 ' CD ' ' ND2' ' A' ' 396' ' ' ASN . 18.6 Cg_endo -74.94 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 75.42 111.061 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.458 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 1.1 p30 -65.92 -19.11 65.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 61.14 109.315 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 425' ' ' ALA . . . 60.58 -95.83 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 73.15 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 395' ' ' TYR . . . 163.03 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.786 . . . . 71.22 109.323 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.2 p -152.13 134.15 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 75.11 110.399 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 72.35 110.975 -179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 5.2 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.297 -0.26 . . . . 73.23 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.3 m-20 -70.74 -41.3 72.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 72.2 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -74.26 -3.64 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 70.22 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.467 ' CD1' ' HB1' ' A' ' 472' ' ' ALA . 4.1 mt -88.79 -39.08 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.41 109.341 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.589 ' OD1' ' CD2' ' A' ' 448' ' ' HIS . 7.9 p30 -104.48 -9.65 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 63.12 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.589 ' CD2' ' OD1' ' A' ' 447' ' ' ASP . 3.9 m170 -115.14 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 73.44 109.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.69 159.85 27.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 65.22 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -66.99 -72.53 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.566 1.166 . . . . 65.13 109.245 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -134.19 136.32 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 74.45 110.987 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 398' ' ' VAL . 36.1 mm -69.41 128.6 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 70.21 109.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 397' ' ' PHE . 98.2 mt -107.1 122.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 74.34 109.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 454' ' ' LEU . 0.6 OUTLIER -109.06 104.38 13.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 72.12 109.314 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.1 tp -68.78 79.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.24 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.62 90.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 73.12 109.206 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.468 HG23 ' CG ' ' A' ' 491' ' ' PRO . 11.6 p -126.39 156.33 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 75.42 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.0 t -63.97 -12.19 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 74.11 109.969 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.12 -14.8 21.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 73.03 109.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 400' ' ' LEU . 55.6 t80 -115.48 172.66 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 71.33 110.944 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.474 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.8 OUTLIER -114.72 132.07 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 65.33 109.354 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.89 -42.4 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 55.43 108.337 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.458 ' CD ' HD12 ' A' ' 506' ' ' LEU . 20.1 mmm-85 -50.21 -35.4 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 75.05 110.388 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 466' ' ' LEU . 2.5 tm? -76.6 -74.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.51 109.257 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.459 ' CB ' HD13 ' A' ' 454' ' ' LEU . 1.0 OUTLIER -38.05 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 74.24 110.006 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' LEU . 9.7 tt -77.79 -54.41 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 75.22 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 0.6 OUTLIER -51.54 -49.68 61.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 65.51 109.674 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 11.3 mt-30 -58.01 -74.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 74.33 110.23 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 468' ' ' GLN . 3.3 p -39.96 -36.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.43 109.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -63.4 -74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 62.53 109.243 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.573 ' HG3' ' CE1' ' A' ' 467' ' ' HIS . 6.9 mm-40 -39.34 -38.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 75.11 110.269 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 446' ' ' ILE . . . -65.52 -50.41 65.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 74.1 109.203 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 470' ' ' ASN . 1.5 mmt -59.17 -53.14 61.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 74.4 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.465 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.8 OUTLIER -72.3 -3.17 22.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 73.14 111.013 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.6 t -90.18 -34.42 15.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 72.44 110.046 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.447 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 31.3 p-10 -124.65 65.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 74.21 109.383 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 474' ' ' MET . 12.6 mt -72.0 -32.14 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.23 109.367 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.2 t -74.44 -2.41 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.53 110.439 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 4.9 mmm180 -95.95 -71.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 72.22 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.538 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.7 pp0? -119.49 -35.22 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.21 110.361 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.538 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 41.59 33.83 1.05 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 73.42 111.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 473' ' ' MET . 2.1 m -110.15 99.65 40.58 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 70.11 109.994 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.55 8.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 34.52 110.916 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -94.67 13.41 24.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 71.33 109.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.65 37.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 62.02 108.37 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.492 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 29.8 t -129.46 141.69 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 71.45 109.373 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 7.3 mm -142.86 97.3 5.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 75.51 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.5 1.789 . . . . 74.32 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.1 165.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 74.41 111.046 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.1 tm? -149.47 103.14 3.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 71.13 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.468 ' CG ' HG23 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.99 170.26 20.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.452 1.764 . . . . 74.41 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -76.23 -24.94 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 74.33 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.408 ' CB ' ' CD1' ' A' ' 408' ' ' ILE . 42.5 mm-40 -64.02 -35.86 82.08 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.495 1.122 . . . . 75.12 110.286 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 15.6 m -121.48 175.3 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 70.52 110.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.96 166.05 21.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 75.23 110.067 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 512' ' ' ARG . 18.6 Cg_endo -74.94 -34.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 73.12 111.072 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.33 -27.72 68.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 42.24 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.93 -9.32 58.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 73.02 110.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.451 ' CD1' HG23 ' A' ' 503' ' ' THR . 9.2 mt -94.03 161.81 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 74.31 109.361 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 52.2 m -62.64 162.43 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.132 . . . . 65.01 110.02 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 66.6 m -67.41 -9.52 42.48 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.486 1.116 . . . . 71.41 110.029 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.1 OUTLIER -83.73 -33.74 25.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 71.12 109.29 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.455 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 3.4 m -45.25 -31.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 63.11 110.357 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 71.34 109.222 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 502' ' ' ASP . 27.7 t -80.78 -15.37 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 73.13 109.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.458 HD12 ' CD ' ' A' ' 463' ' ' ARG . 69.2 mt -77.22 -36.68 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.14 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.451 ' CD2' ' NH1' ' A' ' 512' ' ' ARG . 2.6 pp -111.36 16.92 20.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.32 109.325 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.1 p -64.16 105.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 44.42 109.987 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 112.07 -19.56 22.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 73.41 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.67 -175.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 0.83 . . . . 71.14 109.244 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 40.7 t -115.47 94.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 75.25 109.291 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.451 ' NH1' ' CD2' ' A' ' 507' ' ' LEU . 14.1 tpp180 -53.93 121.88 8.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 74.33 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 490' ' ' LEU . 6.0 tp -109.66 128.18 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.25 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -118.9 167.62 11.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 75.54 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 18.5 tt0 -118.61 5.96 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.51 110.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -121.24 1.4 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 73.31 109.698 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.23 136.87 32.83 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 72.13 109.995 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -78.5 2.0 20.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.12 110.294 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.46 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.92 -27.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.24 109.301 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.92 -35.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.24 110.985 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' A' ' 419' ' ' LEU . . . -56.5 -47.2 79.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.045 . . . . 72.53 109.298 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.8 mpt_? -73.33 -20.32 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.09 . . . . 72.23 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.46 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.5 mmmt -74.07 -45.52 48.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 74.3 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.08 -40.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.21 109.354 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -72.66 -4.73 32.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.15 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -95.21 -40.23 9.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 75.23 109.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -94.0 -54.56 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 75.22 110.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.562 ' CD2' HG23 ' A' ' 527' ' ' THR . 62.9 m-85 -85.36 54.57 3.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 71.23 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.459 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 38.6 mttt -67.87 154.36 93.72 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.401 1.063 . . . . 62.21 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.42 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 71.42 110.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.407 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.8 p-80 -70.21 -11.74 61.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 62.44 109.605 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.407 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 30.7 mmm180 -94.98 -43.32 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.21 110.292 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 74.45 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.423 0.154 . . . . 75.41 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 396' ' ' ASN . 0.1 OUTLIER -113.12 -31.38 6.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 74.03 109.353 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.638 ' CZ ' ' CD1' ' A' ' 416' ' ' LEU . 4.2 p90 -160.34 142.6 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 64.11 111.031 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.684 ' CG2' ' CD1' ' A' ' 427' ' ' PHE . 3.6 p -110.33 102.34 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.45 109.364 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.537 HG13 ' CE1' ' A' ' 397' ' ' PHE . 70.0 mt -70.29 96.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 74.31 109.269 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.462 HD11 ' CD2' ' A' ' 454' ' ' LEU . 9.0 mt -78.48 109.44 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 71.52 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 22.2 p80 -135.97 -173.05 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 72.33 109.598 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.451 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -81.62 -159.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 74.12 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -98.84 -19.53 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 72.44 110.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.01 16.6 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 74.22 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.427 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.2 OUTLIER -120.76 29.94 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 72.43 109.252 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 17.9 tt0 -72.41 -76.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.41 110.277 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.542 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.2 p-80 -39.09 -36.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 74.35 109.544 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.542 HG13 ' CE1' ' A' ' 407' ' ' HIS . 54.1 mt -58.11 -53.83 40.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 70.24 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.24 -39.72 93.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.51 1.131 . . . . 72.12 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 410' ' ' LEU . 2.9 mt -59.17 -27.56 65.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.34 109.326 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -81.42 -14.61 56.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.52 110.278 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.457 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -90.47 -52.66 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 74.25 109.322 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 6.9 mtm180 -38.22 -54.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 73.21 110.358 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 415' ' ' LYS . 7.8 mt-10 -60.25 -59.25 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 71.24 110.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 53.42 109.273 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.638 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 79.1 mt -47.46 -61.29 1.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 75.33 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -38.42 -29.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 74.52 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 415' ' ' LYS . . . -64.47 -54.38 33.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 65.13 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.0 OUTLIER -68.28 -45.68 72.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 74.24 109.376 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.15 -70.02 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 64.53 111.033 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.7 OUTLIER -39.63 142.61 0.62 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.531 0.783 . . . . 71.1 109.3 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 75.21 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.473 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.3 OUTLIER -68.85 -22.23 64.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 74.21 109.268 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 397' ' ' PHE . . . 60.47 -94.92 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.559 1.162 . . . . 72.31 110.998 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.4 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 72.22 109.244 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.0 p -153.0 143.71 22.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 74.31 110.414 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.684 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 2.4 m-30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 74.51 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.403 ' CB ' ' HB3' ' A' ' 472' ' ' ALA . 1.6 pt20 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.282 -0.266 . . . . 73.5 110.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.451 ' O ' ' NE2' ' A' ' 448' ' ' HIS . 1.4 t70 -75.24 -3.11 31.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 75.45 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -102.18 -45.17 5.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 43.11 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 469' ' ' VAL . 1.7 tt -55.91 -18.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 74.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -82.7 -40.79 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.45 109.224 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 1.1 p-80 -123.67 49.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 74.24 109.556 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 4.3 t -157.89 122.82 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 73.44 110.001 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -40.16 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 63.42 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 2.1 m-85 -127.76 125.58 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 70.54 110.982 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.476 ' CG2' HG11 ' A' ' 398' ' ' VAL . 13.4 mm -71.95 129.58 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 74.41 109.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.518 HD11 ' CG ' ' A' ' 397' ' ' PHE . 20.1 mt -100.72 140.0 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.01 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 400' ' ' LEU . 11.6 mt -117.67 104.31 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 74.23 109.218 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.4 tp -69.72 91.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.13 109.274 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 6.1 mt -73.49 94.54 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 71.41 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.478 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 15.7 p -133.63 152.73 51.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 74.53 110.422 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 29.8 t -61.43 -14.71 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 74.5 109.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -90.16 -18.62 25.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 73.51 109.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 81.6 t80 -114.34 172.97 6.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 64.45 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.505 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 25.4 t0 -126.02 131.08 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 75.25 109.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 464' ' ' LEU . 5.1 t -93.95 -44.23 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 70.24 108.352 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.422 ' NH2' ' CG ' ' A' ' 502' ' ' ASP . 7.3 mmt180 -38.79 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 73.21 110.309 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -86.04 -69.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 73.23 109.319 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 468' ' ' GLN . 3.9 p -40.78 -61.28 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 51.44 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.444 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 3.2 tm? -49.31 -37.9 25.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.52 109.281 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.6 OUTLIER -72.27 -28.56 63.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.43 109.565 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 465' ' ' SER . 18.2 mt-30 -81.11 -69.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 72.11 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 5.5 p -40.38 -50.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 75.25 109.266 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.468 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.2 m-80 -42.65 -55.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.609 1.193 . . . . 75.11 109.321 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.89 -31.25 71.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 73.3 110.233 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 443' ' ' GLN . . . -62.81 -17.59 61.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 70.22 109.311 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.462 ' CE ' HG22 ' A' ' 486' ' ' VAL . 7.7 mtt -90.32 -52.15 5.07 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.473 1.108 . . . . 72.53 111.034 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -8.27 30.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 73.3 110.991 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -106.17 -21.83 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.23 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 479' ' ' ARG . 28.2 t-20 -112.29 56.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 73.33 109.218 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 4.1 mt -95.36 -18.09 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 75.05 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.3 t -82.73 3.07 30.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 62.33 110.398 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 447' ' ' ASP . 10.2 tpt180 -112.56 -72.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 72.04 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -119.3 -36.71 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 74.21 110.338 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 56.24 49.78 66.12 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.47 1.106 . . . . 61.42 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 485' ' ' CYS . 9.7 m -117.29 103.17 51.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.578 0.81 . . . . 75.35 109.97 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.16 8.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.434 1.755 . . . . 71.44 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -109.2 42.47 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 71.33 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.422 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 27.7 p -118.29 37.19 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 71.34 108.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 43.6 t -125.39 134.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 73.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 3.6 mm -139.98 96.74 8.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 73.04 109.374 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 102.53 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 73.41 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 5.4 t80 -77.89 169.58 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.415 1.072 . . . . 74.11 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.461 HD11 ' CD ' ' A' ' 496' ' ' PRO . 2.5 tt -156.93 104.26 1.93 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 62.33 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 171.59 18.0 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.465 1.771 . . . . 71.23 110.98 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.5 mp -77.86 -22.59 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.43 109.263 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.15 -40.28 97.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 64.33 110.337 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 4.1 m -109.72 -178.63 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 74.52 110.023 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.8 165.42 21.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 73.51 109.996 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . 0.461 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -74.91 -31.39 6.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.373 1.723 . . . . 73.12 111.018 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.83 67.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 75.3 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.98 -9.16 58.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 52.4 110.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 3.2 mt -97.87 164.14 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 74.33 109.249 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 66.7 m -66.45 158.65 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 73.33 110.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.8 m -67.15 -9.57 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 72.22 109.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 5.0 m-20 -80.96 -37.35 29.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 63.14 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.489 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 20.0 m -41.21 -52.61 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 73.05 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.3 13.98 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 75.44 109.361 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.3 t -78.04 -27.28 48.71 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 54.43 109.989 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 60.4 mt -67.27 -29.7 69.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.41 109.304 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.03 27.12 7.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 72.41 109.291 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 61.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 74.32 109.997 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 162.8 -30.17 0.27 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 63.42 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 15.2 mt -73.07 -173.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 74.02 109.291 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.19 99.06 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 75.1 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 512' ' ' ARG . 8.9 ttp-105 -67.58 121.04 15.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 72.34 110.35 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 489' ' ' PHE . 1.2 mp -85.73 130.86 34.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 71.51 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -129.38 138.92 51.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 73.4 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.6 tp10 -84.95 -21.46 29.57 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.115 . . . . 74.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.45 ' H ' ' CD2' ' A' ' 516' ' ' HIS . 0.3 OUTLIER -97.38 12.66 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 70.32 109.643 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -97.52 139.14 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 62.22 110.001 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -5.45 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 73.11 110.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.47 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.75 -26.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 73.34 109.339 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.3 OUTLIER -39.7 -36.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.04 110.995 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.29 -47.38 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 74.41 109.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 519' ' ' ILE . 3.7 mpt_? -74.13 -19.07 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 74.42 110.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.47 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.1 mmmt -76.39 -41.46 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 73.53 109.246 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.1 p -77.17 -39.35 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 74.11 109.421 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -74.92 -3.3 31.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 62.32 109.294 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.14 -37.7 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 70.2 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.1 t -93.92 -53.8 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 74.21 110.412 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 397' ' ' PHE . 34.2 m-85 -87.62 51.19 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.22 111.055 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 26.7 mttt -63.36 154.87 77.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 62.44 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.58 5.3 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.448 1.762 . . . . 65.03 110.979 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.417 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.9 p-80 -73.7 -6.94 49.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 73.14 109.591 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 49.5 mmm-85 -100.14 -41.92 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.195 . . . . 74.52 110.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.422 ' N ' HD21 ' A' ' 533' ' ' LEU . 2.2 mt . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 75.23 109.266 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.521 0.2 . . . . 74.1 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 396' ' ' ASN . 0.0 OUTLIER -112.28 -27.63 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.22 109.345 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.633 ' CD2' ' CD1' ' A' ' 453' ' ' ILE . 34.2 p90 -173.26 137.79 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 72.5 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.459 HG12 ' CG2' ' A' ' 452' ' ' ILE . 0.5 OUTLIER -103.95 119.21 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.12 109.33 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.465 ' CG2' HD21 ' A' ' 455' ' ' LEU . 30.1 mt -79.69 137.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 70.33 109.304 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 10.9 mt -111.59 99.75 8.43 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.459 1.1 . . . . 75.13 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.4 p80 -141.42 168.7 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 72.32 109.588 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.461 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -72.37 -159.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 64.04 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -98.96 -11.38 21.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 75.23 110.176 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.7 16.75 24.1 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.589 1.181 . . . . 71.13 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.06 25.39 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 70.15 109.376 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.538 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.2 tt0 -64.81 -76.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.465 1.103 . . . . 63.04 110.319 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.433 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.3 p-80 -38.06 -32.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.24 109.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 406' ' ' GLU . 35.5 mt -63.03 -57.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 75.31 109.248 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -62.77 -50.25 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 71.42 109.257 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.13 -29.8 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 72.23 109.405 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -77.03 -31.58 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 73.03 110.285 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.9 t -73.78 -53.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 72.13 109.366 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.2 mtm180 -38.17 -52.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 75.04 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 417' ' ' GLU . 27.7 mt-10 -66.05 -51.78 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 74.33 110.308 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -31.83 5.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 63.34 109.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.591 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 44.7 mt -73.25 -37.54 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 61.24 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.4 mt-10 -65.93 -8.7 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 75.42 110.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -95.78 -2.55 47.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 65.31 109.279 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 524' ' ' VAL . 2.7 mt -118.24 -44.37 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 71.54 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.58 -74.97 0.08 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.589 1.181 . . . . 71.35 110.99 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -46.72 140.4 5.96 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.586 0.815 . . . . 74.54 109.33 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 54.3 111.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.75 -45.46 74.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 72.24 109.257 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 82.54 -96.47 1.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 53.11 111.052 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 179.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 65.24 109.328 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 6.4 p -151.57 109.97 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 74.45 110.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 72.23 111.083 179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 472' ' ' ALA . 11.3 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.367 -0.234 . . . . 65.53 110.367 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -5.13 39.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.574 1.171 . . . . 75.53 109.273 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -102.92 -31.46 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 74.24 109.301 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -19.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 74.23 109.23 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 448' ' ' HIS . 4.6 p-10 -103.44 -48.62 3.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 75.12 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' A' ' 447' ' ' ASP . 5.9 t-160 -75.74 -55.67 5.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 72.22 109.551 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -72.26 150.29 43.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 75.0 109.997 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -59.23 -75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 72.11 109.344 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 19.4 m-85 -127.18 132.41 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.443 1.09 . . . . 74.44 110.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 445' ' ' ALA . 21.4 mm -74.6 131.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 74.15 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.633 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 4.7 mt -103.97 120.14 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.2 109.223 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' A' ' 454' ' ' LEU . 1.5 mt -96.03 92.94 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 74.45 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.465 HD21 ' CG2' ' A' ' 399' ' ' ILE . 11.2 tp -63.45 79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 73.31 109.277 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 454' ' ' LEU . 12.5 mt -64.56 95.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 73.22 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 491' ' ' PRO . 76.5 p -131.67 148.94 52.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 62.41 110.368 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.0 p -56.14 -19.04 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.12 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.0 -25.06 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.395 1.06 . . . . 64.41 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.6 t80 -103.01 166.47 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.42 110.973 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 5.9 t0 -111.79 135.02 52.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 73.21 109.266 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 466' ' ' LEU . 3.2 m -93.9 -51.44 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 62.22 108.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' CYS . 34.5 mtp180 -37.4 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 74.34 110.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 462' ' ' CYS . 2.3 tm? -92.94 -52.17 4.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 75.21 109.274 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.2 t -40.34 -51.75 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 71.1 110.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 462' ' ' CYS . 3.5 mp -71.33 -55.16 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 75.13 109.16 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -45.04 -26.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 72.42 109.591 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.438 ' CD ' ' CD1' ' A' ' 464' ' ' LEU . 73.8 mt-30 -79.92 -74.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 55.15 110.266 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.477 ' CG2' ' N ' ' A' ' 470' ' ' ASN . 3.9 m -40.18 -51.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 74.22 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.477 ' N ' ' CG2' ' A' ' 469' ' ' VAL . 1.9 m-80 -40.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 53.11 109.32 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 27.6 mm-40 -47.74 -47.48 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 74.43 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 443' ' ' GLN . . . -49.96 -47.1 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 65.42 109.267 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.532 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 18.2 mtt -58.15 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 75.1 110.962 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.469 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.7 -16.72 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 71.53 110.979 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 23.5 m -82.71 -27.98 30.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 60.32 110.013 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.584 ' ND2' HE22 ' A' ' 480' ' ' GLN . 13.2 t-20 -142.3 91.72 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 74.12 109.351 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 473' ' ' MET . 5.9 mt -114.2 -16.79 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 75.24 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 479' ' ' ARG . 0.7 OUTLIER -74.69 -3.2 29.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 74.35 110.367 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.52 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 8.5 mmp_? -107.23 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.13 110.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.584 HE22 ' ND2' ' A' ' 476' ' ' ASN . 7.7 pm0 -116.34 -35.86 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 74.3 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 41.07 51.43 4.23 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.503 1.127 . . . . 73.41 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.39 99.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.796 . . . . 61.43 110.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.416 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -75.05 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.569 1.826 . . . . 64.2 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.21 22.55 14.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 62.44 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.5 m -95.21 32.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.12 108.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.532 ' CG2' ' CE ' ' A' ' 473' ' ' MET . 3.1 t -119.64 113.17 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 71.35 109.211 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 513' ' ' LEU . 2.1 mm -119.88 93.2 47.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 72.21 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 106.63 2.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.47 1.774 . . . . 73.23 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 4.1 t80 -83.64 165.09 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 75.22 110.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -145.32 97.52 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 72.11 109.276 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.481 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -75.06 159.93 40.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 65.21 110.985 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.442 HD22 ' ND1' ' A' ' 516' ' ' HIS . 1.6 mt -69.86 -10.08 57.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 74.04 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -80.64 -26.29 37.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 63.35 110.282 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 15.8 m -124.43 178.8 5.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.16 . . . . 74.43 110.002 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 165.31 19.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 72.35 109.992 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.4 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 75.34 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.18 -24.13 67.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 73.11 109.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 1.1 mt-30 -74.9 -9.64 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 74.52 110.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.47 163.3 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 64.45 109.369 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.1 m -64.77 152.11 43.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 73.14 109.998 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.8 t -62.63 -13.33 30.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 64.15 110.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 505' ' ' SER . 40.2 m-20 -84.86 -35.43 22.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.623 1.202 . . . . 62.11 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.484 ' O ' ' CD1' ' A' ' 507' ' ' LEU . 28.5 m -42.84 -48.66 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.52 110.372 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . 0.434 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -51.63 -39.08 57.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 74.21 109.356 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 502' ' ' ASP . 15.5 t -80.89 -22.87 39.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 75.14 109.943 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 86.0 mt -69.2 -40.73 77.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 71.32 109.278 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.11 25.8 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.057 . . . . 73.21 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.3 OUTLIER -56.92 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.566 1.166 . . . . 74.52 110.059 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 116.58 -45.8 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 53.22 110.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 44.2 mt -40.65 131.99 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 71.21 109.307 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 523' ' ' LYS . 3.4 t -61.46 90.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 75.25 109.341 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 8.7 ttp-105 -66.32 126.29 28.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.01 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 520' ' ' PHE . 0.5 OUTLIER -92.87 140.56 29.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 73.41 109.291 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.563 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.6 m-20 -142.85 148.46 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 74.41 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -84.58 -30.55 24.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 74.35 110.322 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.512 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -85.94 5.47 32.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.387 1.054 . . . . 65.13 109.544 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 7.1 t -94.67 118.96 32.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.635 1.21 . . . . 64.4 109.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -74.92 -1.95 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.54 110.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.461 HD13 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -110.07 -27.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 75.51 109.386 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.4 t80 -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.113 . . . . 75.35 110.98 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.8 81.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 74.52 109.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.6 mpt_? -73.36 -23.78 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.25 110.326 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.461 ' CD ' HD13 ' A' ' 519' ' ' ILE . 22.2 mmmt -70.94 -45.21 64.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.53 109.335 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 416' ' ' LEU . 1.4 p -75.87 -43.01 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 71.14 109.252 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -68.95 -9.03 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.4 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -87.25 -53.15 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.2 109.238 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 9.0 t -77.21 -53.25 7.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 75.45 110.406 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 397' ' ' PHE . 49.3 m-85 -88.18 54.87 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 73.13 110.894 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.457 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 29.0 mttm -63.37 158.81 54.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.31 109.335 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -36.36 2.6 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.549 1.815 . . . . 74.03 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -78.59 -1.64 35.09 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.552 1.158 . . . . 55.52 109.62 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -97.54 -43.29 7.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 75.4 110.209 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 529' ' ' LYS . 3.9 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 71.52 109.345 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.528 0.204 . . . . 62.11 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.418 ' ND2' HD11 ' A' ' 533' ' ' LEU . 4.8 t-20 -113.61 -11.28 13.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.451 1.094 . . . . 70.22 109.286 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.705 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 7.6 p90 -174.85 147.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 71.13 110.988 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.89 108.88 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.23 109.28 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 47.3 mt -73.42 91.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 72.41 109.316 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 460' ' ' PHE . 0.3 OUTLIER -76.01 99.49 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.44 109.203 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.478 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 20.0 p80 -132.19 -167.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 75.5 109.575 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 459' ' ' ASN . . . -85.05 -166.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 73.04 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.5 -9.69 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 73.31 110.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.52 16.87 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.3 109.244 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.422 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -127.26 29.24 5.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 55.33 109.249 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 407' ' ' HIS . 27.9 tt0 -62.68 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.11 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.533 ' CE1' HG13 ' A' ' 408' ' ' ILE . 25.6 p-80 -36.02 -45.05 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 73.41 109.573 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.533 HG13 ' CE1' ' A' ' 407' ' ' HIS . 65.4 mt -53.23 -59.0 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 73.14 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -55.78 -49.73 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 70.12 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.94 -14.52 35.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 74.34 109.219 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -81.38 -18.83 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.15 110.333 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 489' ' ' PHE . 6.6 t -95.03 -53.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 74.24 109.342 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.65 -38.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 75.25 110.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 415' ' ' LYS . 83.9 mt-10 -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.32 110.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -39.38 -54.11 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 65.34 109.259 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 95.2 mt -39.84 -54.51 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.4 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 416' ' ' LEU . 10.9 mt-10 -36.81 -45.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.45 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.82 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 62.14 109.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 524' ' ' VAL . 2.5 mt -65.96 -45.97 79.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.386 1.054 . . . . 74.31 109.239 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 163.85 -68.63 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 74.01 110.97 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.705 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.17 137.34 0.96 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 0.718 . . . . 75.44 109.35 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 74.25 110.989 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.442 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.9 p30 -59.48 -43.93 93.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 72.44 109.345 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 80.38 -97.96 1.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 73.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.91 -176.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 75.42 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 6.9 p -151.19 149.15 29.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 61.21 110.37 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 427' ' ' PHE . 5.3 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.25 110.953 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 475' ' ' SER . 43.8 mt-30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.303 -0.258 . . . . 65.53 110.303 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.545 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.2 p-10 -52.47 -34.43 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.641 1.213 . . . . 75.14 109.336 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.468 ' CB ' ' CD1' ' A' ' 452' ' ' ILE . . . -82.05 -29.57 31.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 74.33 109.23 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.448 ' CD1' ' HB1' ' A' ' 472' ' ' ALA . 34.8 mt -77.26 -20.32 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 72.42 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 443' ' ' GLN . 19.8 t0 -103.75 -64.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 75.25 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 4.0 m170 -56.11 -61.55 2.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 74.15 109.606 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 162.2 29.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 72.11 109.955 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.413 ' HB1' ' ND2' ' A' ' 396' ' ' ASN . . . -76.46 -73.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 74.4 109.318 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 7.1 m-85 -122.25 135.8 54.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 74.14 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 9.4 mm -77.53 136.01 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 74.5 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 397' ' ' PHE . 7.2 mt -111.48 122.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 75.41 109.261 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.472 ' CD1' ' OG ' ' A' ' 465' ' ' SER . 3.3 mt -104.72 110.81 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.43 109.366 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.0 tp -74.48 81.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 70.12 109.27 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 6.1 mt -68.84 88.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 75.41 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.458 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 24.7 p -125.73 158.78 34.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 75.3 110.419 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.6 p -62.14 -13.5 27.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 75.33 109.937 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 8.4 m120 -97.5 13.36 30.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 74.13 109.337 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 400' ' ' LEU . 40.5 t80 -150.21 164.98 34.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 74.41 111.033 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 14.2 t0 -114.64 128.71 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 55.24 109.28 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.431 ' C ' ' N ' ' A' ' 464' ' ' LEU . 19.3 p -82.83 -41.73 18.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 74.31 108.201 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -39.22 -29.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 64.15 110.196 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.432 ' CD1' ' HG3' ' A' ' 468' ' ' GLN . 1.8 tm? -87.23 -57.49 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 63.45 109.25 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 454' ' ' LEU . 5.0 p -38.52 -35.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 71.22 110.042 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.416 HD22 ' ND2' ' A' ' 470' ' ' ASN . 2.6 tt -76.81 -59.69 2.67 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 70.25 109.341 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 467' ' ' HIS . 1.4 t60 -45.65 -28.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.03 109.619 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.432 ' HG3' ' CD1' ' A' ' 464' ' ' LEU . 4.1 mm100 -76.57 -75.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 72.4 110.395 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.454 ' CG2' ' HE1' ' A' ' 473' ' ' MET . 9.6 p -40.14 -30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.34 109.266 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.2 m-80 -74.59 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.31 109.256 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -44.6 -26.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.42 110.251 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.465 ' N ' ' HG3' ' A' ' 471' ' ' GLN . . . -87.52 -40.74 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 73.44 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.49 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 12.7 mtt -61.97 -60.72 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 73.35 110.945 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.414 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -61.39 -12.99 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 74.14 110.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.408 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 14.0 t -85.76 -26.37 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.583 1.177 . . . . 73.4 109.973 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.439 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 45.0 t30 -142.41 88.69 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 72.44 109.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 473' ' ' MET . 7.9 mt -110.58 -21.59 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 64.14 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 4.4 t -73.99 -2.0 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 74.23 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.439 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 15.2 mmt-85 -104.65 -66.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.23 110.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.427 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -111.69 -33.93 6.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.32 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.67 37.08 0.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 72.43 111.033 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.9 m -111.92 96.97 36.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 74.35 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.466 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 74.51 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.66 20.4 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 74.33 109.223 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.66 21.17 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 64.24 108.245 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 454' ' ' LEU . 5.7 t -103.54 123.65 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 72.25 109.362 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.47 94.52 42.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.215 . . . . 73.22 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 93.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 74.22 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.539 ' CE1' HG21 ' A' ' 412' ' ' VAL . 8.1 t80 -77.93 151.63 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 71.2 111.017 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.458 HD22 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -138.72 107.15 7.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 72.33 109.364 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 74.15 110.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.7 mp -76.71 -23.0 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.43 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.48 -35.68 80.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 72.31 110.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.444 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 6.3 m -121.59 174.79 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 75.31 110.033 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' SER . . . . . 0.458 ' CA ' HD22 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -140.32 164.83 34.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 73.3 109.994 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . 0.41 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.3 Cg_endo -74.99 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.573 1.828 . . . . 75.41 111.007 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.15 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 75.35 109.277 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -13.52 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.41 110.342 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 7.9 mt -89.32 166.79 13.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 74.11 109.251 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.8 t -64.63 162.42 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 70.55 110.068 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 45.9 m -69.5 -8.53 47.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 73.33 109.967 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 12.6 m-20 -84.57 -36.93 21.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.23 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 98.3 m -41.62 -43.86 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.41 110.449 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.67 75.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 74.22 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.6 m -75.7 -17.85 59.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 75.21 110.073 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 65.4 mt -77.76 -37.24 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.44 109.292 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.7 pp -109.85 15.99 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 75.42 109.229 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.6 p -64.47 104.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.41 1.069 . . . . 65.52 110.059 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 114.3 -30.34 7.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 70.41 111.041 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.06 -173.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 74.2 109.331 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 30.3 t -114.91 86.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 73.53 109.281 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 3.3 tmm_? -52.04 110.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.234 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.553 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 7.9 tp -89.71 132.27 35.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.55 109.226 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.2 m-20 -120.79 167.68 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 73.11 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 11.3 tp10 -121.0 6.74 10.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 73.31 110.264 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.43 10.29 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.41 109.56 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 33.3 t -88.55 162.32 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 74.2 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -100.41 -7.6 24.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 73.25 110.212 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.453 HD13 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 74.44 109.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.553 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.4 t80 -39.59 -35.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 75.22 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.51 76.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.386 1.054 . . . . 74.43 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 519' ' ' ILE . 3.6 mpt_? -73.45 -19.57 60.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.1 110.382 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.453 ' CD ' HD13 ' A' ' 519' ' ' ILE . 14.5 mmmt -75.57 -43.04 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.073 . . . . 74.53 109.361 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.1 p -75.72 -38.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 72.23 109.351 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.87 -3.21 30.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 73.14 109.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -99.56 -42.63 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.23 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.606 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 3.6 t -87.35 -51.41 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.12 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 527' ' ' THR . 57.7 m-85 -92.84 64.5 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 75.24 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 27.9 mttt -71.22 157.05 90.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 73.34 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -42.33 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 72.44 111.02 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.6 ' CE1' ' NE ' ' A' ' 532' ' ' ARG . 6.3 p80 -61.9 -13.02 20.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 75.32 109.605 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.6 ' NE ' ' CE1' ' A' ' 531' ' ' HIS . 12.7 mmt180 -102.03 -25.47 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.3 110.266 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 533' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 61.14 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.562 0.22 . . . . 74.42 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.493 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 39.7 m-80 -113.46 -9.02 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 73.1 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.715 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 28.8 p90 -178.65 128.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.11 110.983 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.4 OUTLIER -88.59 114.67 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.23 109.386 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.469 ' CG2' HD21 ' A' ' 455' ' ' LEU . 39.9 mt -84.99 90.22 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.1 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.55 HD13 ' CZ ' ' A' ' 460' ' ' PHE . 0.1 OUTLIER -63.31 97.6 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.556 1.16 . . . . 74.15 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 2.4 p80 -130.23 -178.75 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 64.25 109.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.555 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -104.01 156.62 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 71.3 109.202 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -61.03 -11.81 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.35 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 403' ' ' ARG . . . -107.03 18.24 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.43 109.2 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.21 25.23 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 71.34 109.355 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 21.5 tt0 -62.34 -74.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 74.54 110.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 406' ' ' GLU . 35.8 p-80 -36.44 -33.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 73.13 109.595 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.463 HD13 ' CB ' ' A' ' 493' ' ' GLU . 30.2 mt -65.29 -60.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 74.32 109.337 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -57.64 -52.18 66.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 73.25 109.307 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 410' ' ' LEU . 1.8 mt -47.79 -24.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.52 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 409' ' ' ALA . 19.9 ttp180 -79.17 -36.7 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 73.45 110.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -70.73 -53.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 71.12 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.466 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.4 mtm180 -37.25 -49.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 74.12 110.294 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 417' ' ' GLU . 44.3 mt-10 -69.2 -51.73 35.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 73.35 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -25.93 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 71.02 109.37 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 69.3 mt -76.78 -35.75 57.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 72.41 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 414' ' ' GLU . 5.9 mt-10 -74.02 -8.46 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.03 110.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.57 -8.41 52.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 73.4 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.2 mt -117.01 -44.84 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 71.11 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 74.32 110.941 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.715 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -43.9 138.94 3.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 73.32 109.306 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.86 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 75.23 111.019 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.447 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -60.59 -43.71 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 74.54 109.343 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 78.5 -93.46 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 72.23 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.23 178.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 74.4 109.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.488 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 1.4 p -152.59 140.37 19.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 73.35 110.345 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.4 111.023 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.405 -0.22 . . . . 62.33 110.405 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -69.71 -41.07 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.23 109.331 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -71.47 -26.49 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 64.35 109.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.422 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.2 mt -57.9 -26.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 75.02 109.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 -57.17 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 74.03 109.24 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -59.55 -57.24 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 64.43 109.644 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 156.64 38.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.4 109.944 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -71.03 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.42 109.272 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 6.1 m-85 -118.51 128.1 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 72.21 111.062 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 445' ' ' ALA . 42.6 mm -69.26 127.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.12 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.55 HD13 ' CD2' ' A' ' 397' ' ' PHE . 8.3 mt -104.07 112.8 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 70.21 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 486' ' ' VAL . 1.8 mm? -92.46 97.86 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 75.04 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 399' ' ' ILE . 6.7 tp -65.72 80.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 74.45 109.286 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.47 98.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 72.2 109.242 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.459 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 12.1 p -132.83 159.64 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 75.4 110.393 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 2.7 p -59.53 -15.31 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.53 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -100.9 19.87 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 75.24 109.249 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 400' ' ' LEU . 33.0 t80 -154.23 165.78 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 74.15 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.43 142.19 40.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 75.34 109.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 464' ' ' LEU . 3.8 m -93.96 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 73.4 108.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 462' ' ' CYS . 40.1 mtp180 -38.16 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 73.35 110.291 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 468' ' ' GLN . 1.4 tm? -82.96 -62.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 74.42 109.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 460' ' ' PHE . 1.5 p -38.53 -42.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 75.1 109.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 470' ' ' ASN . 7.0 tt -69.92 -57.78 4.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 74.11 109.31 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 471' ' ' GLN . 2.1 t60 -42.9 -59.03 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.42 109.636 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 464' ' ' LEU . 8.5 mt-30 -46.13 -33.9 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 73.24 110.362 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 465' ' ' SER . 39.1 t -78.06 -67.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.22 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 466' ' ' LEU . 2.0 m-80 -43.13 -67.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 75.04 109.316 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.536 ' HB3' ' CE1' ' A' ' 467' ' ' HIS . 0.0 OUTLIER -38.25 -30.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 75.13 110.329 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 471' ' ' GLN . . . -79.44 -53.23 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 61.32 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.448 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 9.2 mtt -47.67 -58.96 3.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 74.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.414 ' CE ' ' O ' ' A' ' 471' ' ' GLN . 0.4 OUTLIER -58.28 -15.34 9.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 74.23 110.989 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.2 t -90.9 -21.05 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 71.04 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 47.4 t30 -141.72 86.92 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 63.22 109.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 8.2 mt -110.43 -20.85 12.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 74.31 109.32 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.5 t -76.19 0.19 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 74.34 110.418 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 12.0 mmt85 -103.44 -73.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 70.22 110.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.492 ' NE2' ' ND2' ' A' ' 476' ' ' ASN . 0.7 OUTLIER -117.28 -36.45 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.1 110.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 44.99 41.06 7.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 52.21 110.967 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.3 m -111.34 98.13 38.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 55.23 109.983 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.44 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.5 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 72.45 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -94.3 16.77 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 71.21 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.2 m -92.48 17.76 9.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 74.12 108.274 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 85.7 t -104.63 130.21 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.42 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 3.1 mm -133.42 91.62 26.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 74.33 109.315 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.98 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.477 1.778 . . . . 74.22 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 412' ' ' VAL . 5.6 t80 -90.75 168.83 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 73.52 110.959 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.44 HD22 ' CA ' ' A' ' 495' ' ' SER . 0.8 OUTLIER -152.89 98.73 2.79 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 72.54 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 166.41 29.19 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.543 1.812 . . . . 74.44 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 4.0 mp -69.72 -34.95 74.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 72.24 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.463 ' CB ' HD13 ' A' ' 408' ' ' ILE . 30.4 mm-40 -54.38 -35.35 62.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 73.51 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 8.7 m -119.06 179.29 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 63.03 109.956 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' SER . . . . . 0.44 ' CA ' HD22 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.88 165.85 18.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.405 1.066 . . . . 71.33 110.04 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -35.27 3.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 73.44 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.7 71.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 55.4 109.343 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.34 -14.72 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 70.43 110.32 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.39 170.62 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 75.32 109.372 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.0 m -64.38 154.39 35.67 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.41 1.069 . . . . 71.51 109.973 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 17.5 m -67.74 -9.25 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.32 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.5 m-20 -81.41 -35.39 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.54 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 507' ' ' LEU . 26.8 m -43.0 -50.03 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 74.25 110.414 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -51.15 -38.01 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 73.21 109.277 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.0 t -81.61 -23.7 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.25 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 90.0 mt -67.49 -39.35 85.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 74.13 109.265 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.53 25.25 9.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.35 109.323 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.96 -31.68 71.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 63.22 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -90.6 -21.53 36.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 61.42 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 486' ' ' VAL . 9.2 mt -80.84 -171.75 3.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 72.41 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.433 HG13 ' CE ' ' A' ' 523' ' ' LYS . 55.3 t -116.73 103.95 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.24 109.22 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -71.56 100.51 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 73.41 110.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.436 HD22 ' CG2' ' A' ' 487' ' ' ILE . 2.3 mp -71.91 137.14 47.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 64.04 109.36 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.4 m-20 -122.73 167.7 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 75.14 109.36 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 9.9 tt0 -123.43 5.91 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 65.41 110.324 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -122.96 -0.22 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 72.15 109.528 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.74 163.24 14.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 70.21 110.039 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.92 -0.55 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.12 110.23 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.463 HD12 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.67 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 64.5 109.364 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.9 t80 -40.07 -35.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.4 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.17 -47.39 75.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.548 1.155 . . . . 63.04 109.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 526' ' ' ASN . 2.2 mpt_? -73.74 -21.18 60.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 75.31 110.339 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.463 ' CD ' HD12 ' A' ' 519' ' ' ILE . 15.2 mmmt -74.18 -40.87 62.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 73.23 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -79.24 -45.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 74.43 109.287 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.28 -10.95 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.21 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.1 m-20 -86.34 -53.64 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 73.21 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 8.2 t -77.37 -55.2 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 73.42 110.507 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.419 ' N ' ' CG2' ' A' ' 527' ' ' THR . 31.4 m-85 -82.88 56.21 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 75.41 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 76.9 mttt -64.75 160.82 50.81 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.02 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.28 17.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.739 . . . . 45.44 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.42 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 7.2 p-80 -90.43 -11.79 39.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.499 1.125 . . . . 64.32 109.561 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.42 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 26.6 mmm180 -101.91 -7.28 22.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.43 110.275 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.493 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 3.5 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 72.22 109.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 11.8 m-30 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.545 0.212 . . . . 73.43 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -115.9 -1.93 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.24 109.364 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.641 ' CD2' ' CD1' ' A' ' 453' ' ' ILE . 28.5 p90 -178.03 160.99 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 74.0 111.033 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.418 HG23 ' NE2' ' A' ' 448' ' ' HIS . 2.3 t -122.81 105.36 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 73.43 109.365 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 46.0 mt -71.84 91.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 74.31 109.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -69.86 103.38 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 73.53 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 25.1 p80 -137.87 -168.97 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 73.01 109.555 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.526 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -96.75 141.79 29.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 51.43 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -54.77 -15.8 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.33 110.249 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.409 ' C ' ' OD2' ' A' ' 405' ' ' ASP . . . -94.55 17.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 72.42 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -139.31 36.34 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 64.15 109.32 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 410' ' ' LEU . 18.8 tt0 -64.94 -71.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 73.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.497 ' CE1' HG13 ' A' ' 408' ' ' ILE . 24.9 p-80 -36.81 -39.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.35 109.623 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.497 HG13 ' CE1' ' A' ' 407' ' ' HIS . 67.3 mt -58.23 -60.74 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 72.22 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.34 69.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 73.14 109.309 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 10.1 mp -60.76 -15.11 26.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.43 109.279 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 408' ' ' ILE . 11.0 ttp180 -80.62 -21.71 41.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 73.52 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 413' ' ' ARG . 3.6 t -96.72 -51.65 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 74.11 109.309 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 412' ' ' VAL . 9.7 mtm180 -31.01 -58.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 74.05 110.297 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 15.6 mt-10 -66.32 -52.86 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 63.32 110.273 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.24 -34.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.1 109.372 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 64.1 mt -69.61 -50.84 40.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 73.42 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 62.8 mt-10 -40.02 -28.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.357 1.036 . . . . 70.44 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 416' ' ' LEU . . . -74.87 -50.89 15.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.179 . . . . 74.31 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.8 mt -61.12 -46.27 91.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.34 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.11 -65.91 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 73.44 110.968 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 1.6 p -55.11 144.14 50.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 75.12 109.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.401 ' N ' HG21 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.02 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 71.24 111.042 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.483 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.4 OUTLIER -56.89 -42.37 79.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 73.14 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 395' ' ' TYR . . . 83.47 -91.02 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.404 1.065 . . . . 61.52 111.01 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.42 179.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 0.717 . . . . 74.41 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.7 p -152.42 160.56 43.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.423 1.077 . . . . 75.44 110.437 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.511 ' CG ' HD21 ' A' ' 400' ' ' LEU . 5.8 t80 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 64.53 110.99 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.29 -0.263 . . . . 75.42 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.12 -8.84 49.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 72.03 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -81.48 -9.55 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 44.03 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 tt -92.54 -16.29 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 74.12 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.06 -33.76 8.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 55.23 109.208 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -78.73 1.0 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 70.11 109.606 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 26.4 m -148.74 160.39 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 63.13 109.958 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.29 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.605 1.191 . . . . 54.43 109.317 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 397' ' ' PHE . 16.5 m-30 -119.07 147.03 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 73.14 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.466 ' CG1' HG13 ' A' ' 446' ' ' ILE . 2.1 mm -85.63 140.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 71.22 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.641 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 7.9 mt -110.74 128.31 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 74.22 109.264 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 489' ' ' PHE . 6.6 mt -101.22 99.28 9.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 73.44 109.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 14.9 tp -76.27 89.97 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 74.2 109.353 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.4 mt -71.24 99.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 64.01 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 491' ' ' PRO . 46.8 p -131.94 149.26 52.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 64.54 110.413 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 24.2 p -58.6 -16.22 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 71.34 109.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -90.47 -24.5 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 74.4 109.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 58.1 t80 -109.99 170.09 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 74.45 110.935 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.561 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.9 m-20 -116.58 142.07 47.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.4 109.326 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.27 -56.61 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 73.24 108.263 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 0.1 OUTLIER -39.51 -32.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.51 110.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.0 OUTLIER -70.5 -65.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 74.14 109.365 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.3 OUTLIER -50.01 -59.75 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 73.13 110.002 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 466' ' ' LEU . 0.5 OUTLIER -51.68 -23.11 4.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 75.21 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 27.5 t60 -90.46 -26.73 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.662 1.226 . . . . 70.33 109.578 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 464' ' ' LEU . 5.9 mt-30 -80.63 -61.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.11 110.392 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.47 ' CG2' ' HE2' ' A' ' 473' ' ' MET . 13.7 p -49.96 -54.07 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.25 109.266 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.8 m-80 -47.03 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 65.04 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 475' ' ' SER . 26.6 mm-40 -39.24 -46.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 75.2 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 476' ' ' ASN . . . -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 65.41 109.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 6.2 mtt -59.91 -71.69 0.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.544 1.153 . . . . 73.14 110.979 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 477' ' ' LEU . 1.2 ptm -50.25 -21.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 73.34 110.938 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 5.0 t -74.14 -48.13 31.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.01 109.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 480' ' ' GLN . 53.0 p-10 -122.11 70.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 70.23 109.362 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 474' ' ' MET . 14.2 mt -72.54 -33.43 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 74.22 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 12.7 t -69.54 -6.65 32.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 72.23 110.366 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -77.04 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 73.54 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.3 pp0? -115.54 -31.84 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 74.22 110.257 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.503 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 37.38 45.06 1.26 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.49 1.119 . . . . 63.24 111.009 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 74.0 m -115.73 87.67 18.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 72.33 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.472 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.89 0.44 8.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.478 1.778 . . . . 75.13 111.076 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.85 32.33 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 72.01 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 13.3 p -113.27 8.85 18.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 62.22 108.27 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.434 HG23 ' CE ' ' A' ' 473' ' ' MET . 2.1 t -87.33 109.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.13 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.47 HG22 ' CD2' ' A' ' 513' ' ' LEU . 2.5 mm -114.67 97.37 46.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.24 109.354 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 103.95 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.551 1.816 . . . . 74.44 110.979 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 4.2 t80 -84.61 166.51 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 75.12 111.003 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 456' ' ' LEU . 2.5 tm? -149.69 102.06 3.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 75.11 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.474 ' CD ' HG21 ' A' ' 457' ' ' THR . 18.0 Cg_endo -75.05 158.26 42.09 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.42 1.747 . . . . 74.24 110.938 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -67.2 -21.43 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 75.5 109.254 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 408' ' ' ILE . 4.5 mm-40 -67.89 -34.45 76.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.41 110.266 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 22.3 m -117.18 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 61.23 110.004 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.05 165.55 18.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 71.25 109.954 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -33.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.575 1.829 . . . . 72.34 110.987 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.95 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 72.33 109.324 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . 0.414 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 2.7 mt-30 -66.45 -9.69 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.43 110.361 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 6.9 mt -104.04 169.94 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 64.13 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 501' ' ' SER . 2.2 t -65.49 175.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.23 109.985 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 500' ' ' SER . 68.4 m -81.66 -13.38 57.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.14 109.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 505' ' ' SER . 1.4 p30 -79.19 -38.96 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 73.35 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.2 m -42.44 -28.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 74.21 110.497 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.125 . . . . 74.33 109.259 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.9 m -72.19 -22.74 61.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.54 110.012 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 47.1 mt -69.88 -32.43 70.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.43 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 456' ' ' LEU . 3.7 pp -110.56 14.99 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 71.45 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.3 t -74.24 106.48 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.409 1.068 . . . . 74.3 109.936 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.57 11.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 71.13 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.41 -172.33 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 0.716 . . . . 74.25 109.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 523' ' ' LYS . 3.2 t -113.32 99.59 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 74.11 109.248 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -72.88 128.7 36.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 74.12 110.341 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 489' ' ' PHE . 0.3 OUTLIER -97.1 138.61 34.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 70.34 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.43 ' OD2' ' NE2' ' A' ' 516' ' ' HIS . 0.9 OUTLIER -142.82 143.37 32.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 71.03 109.34 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -78.88 -35.22 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.35 110.292 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.49 ' CG ' HD23 ' A' ' 492' ' ' LEU . 0.3 OUTLIER -88.33 14.45 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 75.14 109.674 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -97.86 118.27 34.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 74.24 110.012 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -74.68 -1.87 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 74.2 110.401 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.98 -28.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 64.55 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.501 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 0.2 OUTLIER -39.72 -35.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 73.43 111.032 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.27 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.425 1.078 . . . . 75.12 109.36 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.8 mpt_? -73.15 -20.1 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 73.04 110.197 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.462 ' CD ' HD13 ' A' ' 519' ' ' ILE . 21.4 mmmt -74.66 -47.03 34.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.04 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.8 p -72.95 -32.56 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.42 109.248 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.43 ' N ' HG11 ' A' ' 524' ' ' VAL . . . -81.72 -4.54 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 72.44 109.342 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 14.2 m-20 -98.84 -28.74 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.35 109.311 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 2.7 t -101.53 -51.07 3.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 74.34 110.382 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 527' ' ' THR . 49.2 m-85 -96.65 62.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 73.22 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 32.8 mttt -70.21 155.64 93.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.24 109.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 75.12 110.962 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.455 ' ND1' ' CD ' ' A' ' 532' ' ' ARG . 9.6 p80 -72.43 -5.5 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 64.24 109.563 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.455 ' CD ' ' ND1' ' A' ' 531' ' ' HIS . 1.6 mpt_? -101.11 -49.71 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 72.23 110.302 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 74.3 109.288 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 425' ' ' ALA . 6.9 m-30 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.49 0.186 . . . . 74.24 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.504 ' CG ' ' CD1' ' A' ' 533' ' ' LEU . 17.8 m120 -119.97 -3.2 10.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 63.23 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 416' ' ' LEU . 5.1 p90 -177.95 149.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 75.31 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.702 ' CG2' ' CD1' ' A' ' 427' ' ' PHE . 1.6 p -113.78 109.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.15 109.306 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 397' ' ' PHE . 61.3 mt -83.71 96.24 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 75.25 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 8.2 mt -75.39 133.44 41.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 74.21 109.282 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -162.71 -174.19 3.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.451 1.095 . . . . 75.5 109.571 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.458 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -84.63 -158.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 73.34 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -99.18 -19.04 17.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 73.54 110.318 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -103.56 17.1 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.31 109.281 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.52 26.34 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 64.34 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 14.3 tt0 -65.36 -74.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.54 110.223 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 408' ' ' ILE . 10.1 p-80 -39.26 -43.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 74.23 109.565 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.502 HG13 ' CE1' ' A' ' 407' ' ' HIS . 68.7 mt -52.43 -49.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 55.22 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.67 -49.28 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 62.01 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 9.9 mp -62.38 -13.87 33.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 73.55 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 407' ' ' HIS . 13.6 ttp85 -85.1 -16.39 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 75.21 110.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.63 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 19.0 t -96.39 -51.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 74.23 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.457 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.5 mtm180 -36.71 -40.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 75.22 110.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.24 -54.04 10.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 73.5 110.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -23.68 6.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 71.2 109.296 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 397' ' ' PHE . 16.5 mt -73.98 -35.4 64.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 72.44 109.3 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.58 -8.15 56.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 75.23 110.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -94.5 -5.32 46.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 53.23 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.444 ' CD1' HG11 ' A' ' 524' ' ' VAL . 4.1 mt -117.38 -44.89 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 75.33 109.244 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 173.03 -68.68 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 75.32 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 1.0 OUTLIER -48.78 144.45 7.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 72.02 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.486 ' CG ' ' OD1' ' A' ' 396' ' ' ASN . 18.0 Cg_endo -75.1 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.528 1.804 . . . . 73.43 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.8 OUTLIER -70.06 -18.35 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.42 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 397' ' ' PHE . . . 59.33 -97.33 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 74.35 110.963 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 395' ' ' TYR . . . 164.02 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 54.34 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -152.07 153.57 34.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 72.24 110.375 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.702 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 1.9 m-30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 71.44 111.07 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.443 ' CG ' ' HB1' ' A' ' 472' ' ' ALA . 29.5 mt-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.546 0.212 . . . . 74.22 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.58 ' CG ' ' CE1' ' A' ' 448' ' ' HIS . 0.8 OUTLIER -68.14 -14.31 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.44 109.339 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 452' ' ' ILE . . . -103.84 -34.56 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.44 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 472' ' ' ALA . 66.9 mt -69.33 -19.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 73.43 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -104.03 -58.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 75.54 109.354 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 444' ' ' ASP . 2.4 m170 -68.23 -62.58 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 72.04 109.603 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -70.66 157.58 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 63.4 110.056 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.57 -78.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 71.12 109.371 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.04 146.96 48.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 75.43 111.015 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.522 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 8.8 mm -79.3 138.69 19.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.34 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 397' ' ' PHE . 95.4 mt -113.42 113.56 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 74.52 109.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 465' ' ' SER . 11.8 mt -89.56 106.66 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 72.35 109.323 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 399' ' ' ILE . 6.9 tp -75.2 79.48 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 71.34 109.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.12 92.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 74.31 109.214 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.465 HG21 ' CG ' ' A' ' 491' ' ' PRO . 82.4 p -131.86 149.8 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 72.53 110.418 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.2 t -59.53 -15.68 19.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.065 . . . . 73.4 109.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -90.0 -21.7 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.44 109.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 401' ' ' HIS . 32.6 t80 -112.68 172.34 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 75.54 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 36.6 t0 -112.63 135.6 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 65.23 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 465' ' ' SER . 3.5 m -94.03 -50.13 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 61.41 108.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -38.56 -41.3 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 75.14 110.302 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 468' ' ' GLN . 1.7 tm? -77.81 -44.54 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 75.14 109.231 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.453 ' CB ' HD11 ' A' ' 454' ' ' LEU . 78.4 p -49.36 -27.3 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 74.11 109.974 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 506' ' ' LEU . 6.2 tt -88.92 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.37 1.044 . . . . 74.42 109.235 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -45.69 -28.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.43 109.547 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 464' ' ' LEU . 68.9 mt-30 -75.62 -76.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 74.25 110.306 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.452 HG23 ' CE ' ' A' ' 473' ' ' MET . 8.8 p -39.95 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 70.32 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 468' ' ' GLN . 2.3 m-80 -74.88 -72.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.4 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -41.94 -27.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.43 110.286 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 471' ' ' GLN . . . -82.79 -52.54 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 72.15 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.471 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 5.9 mtt -50.36 -54.0 24.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.43 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -8.38 28.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 75.34 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 1.3 t -76.1 -50.3 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 75.32 110.014 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -138.1 92.37 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 75.54 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 473' ' ' MET . 13.9 mt -90.78 -38.06 13.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 75.23 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.1 t -64.73 -11.14 32.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 75.33 110.407 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -74.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 74.25 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.411 ' NE2' HG21 ' A' ' 446' ' ' ILE . 0.1 OUTLIER -110.26 -27.37 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.33 110.323 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 40.62 67.51 0.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.555 1.16 . . . . 74.04 111.077 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 485' ' ' CYS . 2.0 t -127.77 91.59 44.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 70.34 109.954 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.61 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.513 1.796 . . . . 65.14 111.0 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 43.36 2.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 63.33 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 29.2 p -111.53 30.3 7.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 73.51 108.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.451 ' CG1' HD12 ' A' ' 454' ' ' LEU . 2.2 t -123.13 123.14 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 75.34 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.438 HG22 ' CD2' ' A' ' 513' ' ' LEU . 3.3 mm -132.59 96.84 18.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.33 109.388 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.381 1.727 . . . . 72.23 110.967 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.63 ' CE2' ' CG2' ' A' ' 412' ' ' VAL . 6.7 t80 -78.01 161.72 27.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.33 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LEU . 0.7 OUTLIER -141.52 97.96 6.61 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 74.34 109.402 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.465 ' CG ' HG21 ' A' ' 457' ' ' THR . 18.1 Cg_endo -74.96 150.58 38.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 75.21 111.014 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 516' ' ' HIS . 3.2 mt -64.08 -17.13 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.1 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -73.19 -24.12 60.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.02 110.236 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 15.3 m -124.39 -178.5 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 63.32 109.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.18 159.14 43.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 70.32 110.009 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.4 10.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.464 1.77 . . . . 72.11 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.25 72.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 73.13 109.292 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.57 -11.22 59.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.13 110.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 503' ' ' THR . 2.3 mt -98.23 165.11 12.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.31 109.289 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.86 159.41 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 72.03 109.939 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.4 m -69.45 -11.53 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 63.21 110.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 505' ' ' SER . 24.9 m-20 -82.47 -34.05 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 72.43 109.332 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.8 m -45.32 -25.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 72.35 110.4 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -71.56 -44.42 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 63.32 109.316 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 502' ' ' ASP . 5.5 t -79.59 -13.36 59.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 64.53 110.041 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 34.0 mt -79.84 -32.15 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 71.23 109.311 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.88 14.01 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.41 109.38 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 7.7 p -56.64 101.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 72.04 110.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 110.45 -25.56 15.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.446 1.091 . . . . 75.14 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 14.5 mt -58.05 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 65.53 109.239 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 50.5 t -116.14 92.14 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.23 109.39 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.57 128.93 37.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 73.21 110.284 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 490' ' ' LEU . 0.3 OUTLIER -110.39 145.53 37.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 64.1 109.271 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.481 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.5 m-20 -145.27 133.19 21.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 61.3 109.37 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 -1.15 24.55 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.536 1.148 . . . . 61.5 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 1.4 p-80 -121.3 44.12 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 73.0 109.535 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' A' ' 520' ' ' PHE . 2.7 t -138.72 126.88 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 70.33 109.985 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -74.23 -2.78 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 74.33 110.411 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.35 -28.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 74.42 109.353 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.418 ' CB ' ' HB3' ' A' ' 517' ' ' SER . 1.6 t80 -40.51 -34.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 74.03 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.53 85.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 74.12 109.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.13 -22.8 60.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.32 110.302 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.412 ' CD ' HD13 ' A' ' 519' ' ' ILE . 24.0 mmmt -70.8 -43.16 69.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 64.44 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 419' ' ' LEU . 2.7 p -79.4 -41.26 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 74.01 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 524' ' ' VAL . . . -69.7 -9.82 55.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 72.32 109.325 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -85.88 -50.46 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 73.52 109.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -80.38 -53.99 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 61.44 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.48 ' CD2' HG23 ' A' ' 527' ' ' THR . 60.2 m-85 -86.86 58.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 74.34 111.048 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.55 ' CB ' ' CE1' ' A' ' 531' ' ' HIS . 12.4 mmtt -59.86 157.57 28.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.31 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -36.44 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.3 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' CB ' ' A' ' 529' ' ' LYS . 55.8 p-80 -61.83 -16.73 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 74.02 109.614 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.422 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 31.6 mmm-85 -99.36 -55.67 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 74.24 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.504 ' CD1' ' CG ' ' A' ' 396' ' ' ASN . 3.8 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.12 109.257 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 15.8 m-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.506 0.194 . . . . 74.43 110.964 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.437 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 9.6 m-80 -115.41 -9.38 12.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.11 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.697 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 10.8 p90 -169.38 145.69 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 73.41 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.22 108.75 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 72.12 109.357 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.463 ' CG2' HD23 ' A' ' 455' ' ' LEU . 35.0 mt -72.87 92.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 75.24 109.226 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 427' ' ' PHE . 2.6 mt -72.07 100.66 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 72.35 109.248 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 409' ' ' ALA . 13.4 p80 -140.32 173.38 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 71.22 109.56 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.519 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.58 -171.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 62.12 109.358 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.03 -4.96 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 75.42 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.75 17.17 22.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 72.24 109.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.543 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.0 OUTLIER -133.35 36.73 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.44 109.301 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 410' ' ' LEU . 20.3 tt0 -62.12 -72.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 75.32 110.261 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 23.7 p-80 -42.32 -36.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 71.42 109.555 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.409 HG13 ' CE1' ' A' ' 407' ' ' HIS . 57.8 mt -58.07 -47.82 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 70.34 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.567 ' HB3' ' CD2' ' A' ' 401' ' ' HIS . . . -72.85 -56.1 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.35 109.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 9.0 mp -53.64 -20.42 5.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.127 . . . . 75.22 109.345 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 18.7 ttp180 -77.09 -32.08 56.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 74.1 110.309 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.7 t -80.24 -49.68 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.3 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.481 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.9 mtm180 -36.55 -44.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 64.21 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.8 mm-40 -72.33 -57.27 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 61.03 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 74.43 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.546 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 95.9 mt -70.42 -44.31 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 75.03 109.23 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.2 mt-10 -64.3 -11.13 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.52 110.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.62 -6.27 59.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 72.31 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.454 ' CD1' HG12 ' A' ' 524' ' ' VAL . 3.5 mt -120.8 -45.12 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 75.24 109.188 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 178.56 -76.21 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 74.14 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.697 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -41.13 137.61 1.53 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 74.03 109.257 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 70.43 111.078 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.535 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.3 p-10 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 64.31 109.213 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.73 -96.73 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.15 . . . . 51.45 111.042 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.68 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 0.799 . . . . 72.01 109.216 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.8 p -152.4 152.56 32.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 75.21 110.441 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.434 ' CD2' HD21 ' A' ' 400' ' ' LEU . 7.7 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.34 110.957 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.436 ' NE2' ' OG ' ' A' ' 475' ' ' SER . 10.5 tp60 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.559 0.219 . . . . 74.44 110.419 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.539 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.4 t0 -79.63 -3.3 46.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 75.34 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' A' ' 452' ' ' ILE . . . -101.69 -31.3 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 62.14 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.478 ' CD1' ' CG2' ' A' ' 469' ' ' VAL . 1.2 tt -78.88 -15.76 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 75.32 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.55 -43.29 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 70.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.7 OUTLIER -78.33 -64.61 1.13 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.616 1.197 . . . . 71.31 109.519 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.4 OUTLIER -70.96 154.0 42.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.0 109.917 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -61.93 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.107 . . . . 74.44 109.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -117.75 138.32 52.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.34 111.031 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.451 HD11 ' CB ' ' A' ' 445' ' ' ALA . 6.1 mm -82.22 137.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.18 . . . . 65.01 109.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 397' ' ' PHE . 60.4 mt -110.77 122.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 71.32 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.508 ' CD1' ' CG1' ' A' ' 486' ' ' VAL . 12.3 mt -94.81 107.54 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 71.53 109.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 6.8 tp -73.09 96.73 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 72.11 109.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 5.5 mt -74.99 97.68 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 71.52 109.273 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.474 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 6.6 p -143.57 147.18 34.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 73.32 110.427 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -15.5 18.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.508 1.13 . . . . 72.45 109.987 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.64 -23.54 27.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 75.12 109.226 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 461' ' ' ASP . 50.0 t80 -108.11 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.52 110.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 19.8 m-20 -133.78 105.08 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 75.54 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 464' ' ' LEU . 8.2 p -63.64 -38.62 91.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 72.45 108.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -38.63 -31.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 64.44 110.389 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.8 OUTLIER -83.36 -66.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 75.21 109.352 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 468' ' ' GLN . 59.8 p -39.35 -62.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.058 . . . . 73.45 109.991 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.445 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 2.0 tm? -48.72 -40.24 27.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.4 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.2 OUTLIER -68.55 -29.59 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 75.12 109.615 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 465' ' ' SER . 79.8 mt-30 -75.03 -70.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.618 1.199 . . . . 71.21 110.28 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.478 ' CG2' ' CD1' ' A' ' 446' ' ' ILE . 2.8 p -44.91 -51.45 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 63.25 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.0 OUTLIER -40.23 -50.6 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 64.02 109.32 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 474' ' ' MET . 14.0 mm-40 -70.89 -41.2 71.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 64.12 110.335 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -60.38 -19.92 57.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 64.35 109.182 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.497 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 35.5 mtt -84.03 -54.12 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 74.04 111.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.415 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.7 OUTLIER -71.6 -3.87 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.43 111.033 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.436 ' OG ' ' NE2' ' A' ' 443' ' ' GLN . 76.4 p -80.86 -53.55 6.37 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.55 1.156 . . . . 73.22 110.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.444 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 11.2 p-10 -134.93 92.93 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 72.24 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 473' ' ' MET . 17.4 mt -89.94 -39.28 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.05 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.8 t -65.73 -10.08 33.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 74.41 110.474 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -78.52 -73.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 75.2 110.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.1 OUTLIER -113.21 -26.12 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.41 110.355 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 37.56 63.0 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 72.14 110.943 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.86 95.16 19.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 74.01 110.049 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.464 1.771 . . . . 75.51 110.972 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.21 43.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 63.33 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . 0.416 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 26.0 p -111.89 23.58 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.01 108.275 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 454' ' ' LEU . 3.7 t -119.02 119.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 75.42 109.25 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 513' ' ' LEU . 0.4 OUTLIER -120.33 101.34 46.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.43 109.253 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.2 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 70.43 111.077 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 412' ' ' VAL . 4.9 t80 -77.69 169.74 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 73.24 111.046 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.459 HD11 ' CD ' ' A' ' 496' ' ' PRO . 1.8 tt -157.07 103.42 1.9 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 65.41 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 174.13 13.33 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.568 1.826 . . . . 74.43 111.043 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 2.6 mp -79.43 -25.68 41.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.642 1.214 . . . . 71.01 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.34 -33.45 75.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 63.34 110.397 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.65 -179.58 3.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.485 1.116 . . . . 62.54 109.977 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.24 162.23 33.37 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 70.03 110.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . 0.459 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 -25.28 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.23 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -72.13 -24.55 61.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 60.43 109.205 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.6 -8.24 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 71.14 110.272 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 2.2 mt -100.34 163.73 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 70.15 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.5 t -74.4 161.18 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.581 1.176 . . . . 72.01 109.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 75.2 m -68.2 -8.76 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 62.2 109.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 505' ' ' SER . 9.1 m-20 -84.07 -34.26 24.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 64.41 109.306 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.486 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 15.7 m -44.35 -47.99 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.162 . . . . 64.43 110.402 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.6 -35.59 65.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 71.51 109.21 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.4 m -84.1 -22.03 31.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.34 110.05 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 97.4 mt -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.31 109.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.491 ' C ' ' CD2' ' A' ' 507' ' ' LEU . 0.0 OUTLIER -121.68 24.2 9.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.42 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.64 99.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 72.34 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 131.38 -24.12 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 54.42 111.095 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 486' ' ' VAL . 39.5 mt -74.98 179.65 4.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.579 0.811 . . . . 65.05 109.309 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.78 102.09 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 75.51 109.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.7 125.31 24.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.607 1.192 . . . . 73.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 489' ' ' PHE . 0.6 OUTLIER -96.1 129.08 43.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 71.04 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.68 133.58 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 72.34 109.359 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 14.8 tp10 -82.11 -23.33 35.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 75.53 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.2 OUTLIER -91.44 5.68 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 73.43 109.588 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.5 t -89.66 149.4 22.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 74.1 110.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -8.24 33.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 72.04 110.284 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.62 -25.53 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.42 109.276 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.4 OUTLIER -40.13 -35.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 64.51 110.989 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.02 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.13 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 519' ' ' ILE . 9.6 mpt_? -74.7 -19.52 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.54 110.205 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.464 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 14.5 mmmt -76.04 -40.06 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 75.3 109.229 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 416' ' ' LEU . 1.4 p -80.16 -45.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 75.01 109.223 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.45 -11.43 42.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 73.52 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.8 m-20 -88.97 -57.05 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 73.24 109.226 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 527' ' ' THR . . . . . . . . . . . . . 5.9 t -69.98 -54.58 12.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 71.1 110.401 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 487' ' ' ILE . 34.6 m-85 -86.9 41.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 72.3 111.019 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 17.3 mttm -40.44 154.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 74.34 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 64.23 111.063 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -59.27 -15.89 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 72.24 109.656 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -42.71 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 75.11 110.25 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.446 HD21 ' CA ' ' A' ' 528' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.23 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 425' ' ' ALA . 3.5 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.44 0.162 . . . . 73.1 111.039 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.53 ' ND2' ' CA ' ' A' ' 424' ' ' GLY . 0.0 OUTLIER -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.535 1.147 . . . . 62.23 109.36 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.588 ' CE1' HG13 ' A' ' 399' ' ' ILE . 4.7 p90 -173.8 -177.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 72.13 111.066 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 1.6 t -135.14 93.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 73.01 109.35 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.588 HG13 ' CE1' ' A' ' 397' ' ' PHE . 93.6 mt -69.05 97.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 72.02 109.358 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 427' ' ' PHE . 5.6 mt -80.54 95.06 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.52 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.5 p80 -123.15 173.14 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 71.22 109.566 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.452 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.47 -160.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 63.11 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -98.92 -15.01 19.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 73.32 110.294 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.4 16.58 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 71.15 109.351 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.27 28.01 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 72.34 109.375 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.526 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 24.7 tt0 -65.76 -77.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.23 110.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 408' ' ' ILE . 2.5 p-80 -39.46 -34.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 63.01 109.61 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 407' ' ' HIS . 64.7 mt -59.44 -53.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 74.23 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -67.37 -52.24 42.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 74.14 109.279 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.0 mt -47.8 -24.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.24 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -77.86 -38.86 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.34 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 489' ' ' PHE . 3.1 t -68.35 -54.63 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 72.41 109.368 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.7 mtm180 -37.04 -47.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.1 110.303 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.4 mm-40 -74.74 -49.22 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.45 110.285 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -24.86 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 73.41 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.558 HD11 ' CE2' ' A' ' 397' ' ' PHE . 13.8 mt -75.68 -35.53 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.02 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.6 mt-10 -66.7 -8.37 27.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 75.44 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -92.06 -6.03 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 73.44 109.315 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 524' ' ' VAL . 5.9 mt -117.73 -45.01 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 74.32 109.247 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 172.42 -71.79 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 65.23 111.026 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.8 OUTLIER -46.73 137.64 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.606 0.827 . . . . 64.1 109.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.431 1.753 . . . . 71.43 111.062 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.472 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 7.1 p-10 -50.87 -47.75 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 75.41 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.53 ' CA ' ' ND2' ' A' ' 396' ' ' ASN . . . 86.45 -101.55 2.63 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.601 1.188 . . . . 72.34 111.015 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 395' ' ' TYR . . . 169.03 173.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 64.14 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 4.9 p -151.29 120.67 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 73.41 110.402 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.558 ' CD2' HD22 ' A' ' 400' ' ' LEU . 2.3 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 73.11 111.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 19.0 mt-30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.267 -0.271 . . . . 54.35 110.267 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.1 t70 -72.06 -13.73 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 72.05 109.279 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.402 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -87.38 -11.76 48.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 75.45 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.454 ' CD1' ' HB1' ' A' ' 472' ' ' ALA . 5.2 mt -98.03 -21.51 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 73.23 109.264 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -104.03 -43.82 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.197 . . . . 74.11 109.283 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 4.5 t-160 -78.7 -56.68 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 75.23 109.658 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -70.91 153.05 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 71.04 109.997 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.11 -69.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 71.54 109.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 14.7 m-85 -134.99 133.93 39.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.13 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.2 mm -69.06 131.63 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 74.35 109.296 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.551 HD12 ' CD2' ' A' ' 397' ' ' PHE . 82.9 mt -105.92 125.12 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 75.03 109.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 456' ' ' LEU . 0.6 OUTLIER -107.28 91.28 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 75.33 109.206 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 9.1 tp -62.63 80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 74.24 109.326 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 8.5 mt -62.49 92.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.35 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.481 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 31.5 p -124.76 145.18 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.633 1.208 . . . . 75.21 110.345 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -18.67 5.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 75.21 110.051 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.7 -26.67 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 73.44 109.343 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 58.5 t80 -100.97 171.78 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 75.1 111.085 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 6.2 m-20 -123.97 127.16 47.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 72.21 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 464' ' ' LEU . 3.3 m -79.05 -50.15 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.44 108.376 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 16.7 mtp180 -38.73 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 75.42 110.411 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.2 tm? -74.26 -75.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 73.21 109.222 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.2 OUTLIER -41.77 -59.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 74.41 110.049 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -49.42 -36.36 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 72.13 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 6.7 t60 -76.11 -27.88 57.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 65.55 109.654 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 3.7 mt-30 -77.0 -66.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 72.31 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 486' ' ' VAL . 7.1 p -47.36 -52.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 74.12 109.371 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.2 m-80 -40.4 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 73.21 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 17.8 mm-40 -48.87 -46.82 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 74.4 110.259 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.454 ' HB1' ' CD1' ' A' ' 446' ' ' ILE . . . -52.18 -40.19 61.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 54.21 109.228 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.42 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.4 mmt -70.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.04 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -14.53 9.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 73.21 111.047 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 41.9 t -91.94 -19.83 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.14 109.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.6 t30 -143.58 87.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 74.24 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 473' ' ' MET . 7.7 mt -111.02 -20.96 12.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.54 109.226 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.0 t -72.42 -4.13 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 73.22 110.361 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -74.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.55 110.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.45 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -116.17 -30.61 5.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 72.33 110.321 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 37.67 44.62 1.35 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 73.31 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.8 m -111.51 97.81 37.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.434 0.726 . . . . 53.42 109.979 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 0.3 9.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 72.41 110.99 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.5 15.78 20.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 73.12 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.12 37.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.43 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 13.6 t -121.58 141.56 41.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 73.1 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 5.4 mm -142.43 94.93 6.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 63.11 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . 0.406 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.564 1.823 . . . . 72.04 110.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 412' ' ' VAL . 6.4 t80 -77.95 169.05 18.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 75.54 110.953 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.8 tm? -152.88 103.39 2.66 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.464 1.103 . . . . 70.01 109.211 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.88 40.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 63.31 110.973 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -69.89 -27.74 65.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 61.3 109.358 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.469 ' CB ' HD11 ' A' ' 408' ' ' ILE . 31.5 mm-40 -67.1 -28.24 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 73.22 110.28 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 29.7 m -117.61 175.73 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.22 110.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 165.56 18.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 72.41 110.038 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.77 6.87 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.435 1.755 . . . . 72.1 111.023 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.97 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.34 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.01 -6.09 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 75.55 110.394 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 12.6 mt -98.98 163.66 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 74.15 109.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 9.9 m -55.41 -179.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 74.14 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 7.4 t -86.21 -23.24 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 64.31 110.047 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 505' ' ' SER . 21.3 t0 -77.02 -33.38 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.22 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 507' ' ' LEU . 1.0 OUTLIER -43.64 -44.94 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.403 1.065 . . . . 75.11 110.358 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . 0.483 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -58.53 -37.25 75.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 62.33 109.304 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.6 t -82.31 -18.94 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 73.54 109.965 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 88.7 mt -71.71 -39.35 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 75.13 109.3 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.491 ' C ' ' CD2' ' A' ' 507' ' ' LEU . 0.0 OUTLIER -125.97 25.47 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 75.23 109.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' SER . . . . . 0.483 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.1 OUTLIER -54.44 -31.68 55.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.2 110.034 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.5 -30.87 5.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 71.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 486' ' ' VAL . 8.2 mt -58.03 150.04 21.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 72.43 109.363 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 29.4 t -76.04 107.43 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 70.0 109.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.51 119.19 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 73.31 110.357 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.9 tp -102.06 142.88 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.24 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 2.2 m-20 -144.59 167.44 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.03 109.291 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.516 ' CD ' ' CD2' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -106.76 -4.75 19.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 70.0 110.239 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.447 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -110.09 31.43 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.44 109.541 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.9 t -122.56 129.95 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.32 109.99 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -76.9 -1.95 31.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.193 . . . . 73.22 110.231 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.46 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.8 -27.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 74.44 109.329 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.91 -35.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 72.44 111.033 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.19 79.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 70.21 109.285 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.61 -20.16 60.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 72.41 110.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.46 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 27.9 mmmt -74.34 -44.4 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 73.21 109.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.3 p -76.34 -43.09 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 73.11 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -68.57 -8.78 44.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 71.01 109.34 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 7.4 m-20 -89.37 -50.25 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 72.11 109.252 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.565 HG21 ' CD2' ' A' ' 528' ' ' PHE . 10.0 t -85.19 -54.35 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 71.34 110.384 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 527' ' ' THR . 67.6 m-85 -86.3 55.77 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.23 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 59.4 mttt -64.87 159.63 61.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.02 109.278 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 73.32 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -76.27 -3.16 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 71.45 109.639 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -101.9 -28.85 12.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 73.32 110.305 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 71.11 109.215 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.605 0.24 . . . . 73.32 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.5 m-80 -111.54 -14.11 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 74.13 109.243 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.704 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 7.4 p90 -171.7 124.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.065 . . . . 72.44 111.02 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.511 ' CG2' ' CB ' ' A' ' 427' ' ' PHE . 1.2 p -88.55 112.24 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.03 109.361 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.464 ' CG2' ' HB1' ' A' ' 409' ' ' ALA . 47.4 mt -83.4 105.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 74.51 109.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 0.7 OUTLIER -86.49 121.84 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 75.35 109.344 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.1 p80 -152.56 -173.17 4.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 72.2 109.605 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -85.54 -159.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 74.22 109.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -99.25 -14.88 19.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 73.23 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.51 17.11 23.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 74.13 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . 0.502 ' OD1' ' CG2' ' A' ' 457' ' ' THR . 0.5 OUTLIER -124.45 27.67 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.11 109.307 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 33.0 tt0 -64.46 -72.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 75.42 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 27.5 p-80 -41.44 -36.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.02 109.6 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 493' ' ' GLU . 56.6 mt -59.11 -49.69 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 60.43 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 399' ' ' ILE . . . -70.4 -57.27 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.44 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -21.4 3.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 73.31 109.294 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 6.6 ttt85 -79.11 -31.94 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 74.22 110.253 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 416' ' ' LEU . 3.3 t -79.32 -47.94 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.2 109.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.477 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.5 mtm180 -37.86 -49.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 75.25 110.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 417' ' ' GLU . 8.0 mm-40 -73.28 -52.59 13.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.617 1.198 . . . . 65.15 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.1 OUTLIER -48.77 -23.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 73.33 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.609 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 44.8 mt -78.84 -39.44 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.54 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 414' ' ' GLU . 2.8 mt-10 -65.78 -9.31 27.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.54 110.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -87.74 -6.73 58.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 65.33 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.442 ' CD1' HG13 ' A' ' 524' ' ' VAL . 4.0 mt -119.34 -45.11 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.396 1.06 . . . . 74.22 109.263 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 179.13 -78.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 54.41 111.016 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.704 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.82 138.06 1.08 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 65.11 109.232 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 70.43 110.927 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.516 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 10.2 p-10 -62.22 -42.84 99.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 73.22 109.308 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.77 -96.84 1.32 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.44 1.088 . . . . 75.34 111.042 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.05 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 0.822 . . . . 72.22 109.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.0 p -152.18 117.63 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 74.33 110.384 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.511 ' CB ' ' CG2' ' A' ' 398' ' ' VAL . 1.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.35 111.018 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.401 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 7.3 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.285 -0.265 . . . . 74.12 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.24 -44.78 95.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 60.23 109.344 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.545 ' CB ' ' CD1' ' A' ' 452' ' ' ILE . . . -66.28 -28.64 68.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 73.51 109.297 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 452' ' ' ILE . 19.2 mt -78.57 -7.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 74.42 109.245 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -104.21 -42.96 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 74.13 109.378 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -96.6 -54.87 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 71.14 109.62 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.7 OUTLIER -70.62 148.35 48.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 70.43 109.968 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.39 -76.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.519 1.137 . . . . 75.35 109.267 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -119.9 132.33 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.24 110.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.545 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 33.2 mm -69.24 127.52 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.22 109.341 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.517 HD13 ' CD2' ' A' ' 397' ' ' PHE . 10.5 mt -103.49 112.58 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 75.34 109.239 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 486' ' ' VAL . 1.0 OUTLIER -94.61 103.91 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 75.15 109.374 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.487 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 6.7 tp -69.76 79.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 74.05 109.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 507' ' ' LEU . 6.1 mt -58.93 93.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 74.52 109.351 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 405' ' ' ASP . 27.6 p -127.22 148.0 50.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 74.24 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.8 p -57.77 -16.57 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 72.33 110.016 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.99 -23.28 20.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.368 1.043 . . . . 75.52 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.594 ' CE2' ' OG ' ' A' ' 465' ' ' SER . 38.1 t80 -110.19 166.33 11.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 72.32 111.005 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 41.9 m-20 -104.23 137.76 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 74.43 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.07 -46.3 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 71.12 108.408 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 19.7 mtm105 -45.19 -59.84 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.11 110.323 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 468' ' ' GLN . 2.9 tm? -49.79 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 62.41 109.243 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.594 ' OG ' ' CE2' ' A' ' 460' ' ' PHE . 1.0 OUTLIER -36.97 -54.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 74.44 109.963 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.416 HD12 ' ND2' ' A' ' 470' ' ' ASN . 1.7 tm? -54.98 -50.3 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 72.22 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 464' ' ' LEU . 3.4 m-70 -49.44 -57.23 7.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 72.22 109.649 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.502 ' OE1' ' CD1' ' A' ' 464' ' ' LEU . 82.1 mt-30 -50.0 -63.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 73.12 110.292 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.464 ' CG1' ' HE1' ' A' ' 473' ' ' MET . 20.0 t -43.74 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.04 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLN . 1.8 m-80 -40.39 -68.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 72.21 109.387 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 475' ' ' SER . 3.0 mm100 -37.48 -45.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.41 110.231 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 446' ' ' ILE . . . -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 53.24 109.197 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.464 ' HE1' ' CG1' ' A' ' 469' ' ' VAL . 2.6 mtt -51.74 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.532 1.145 . . . . 61.31 111.089 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 471' ' ' GLN . 1.0 OUTLIER -47.77 -22.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 74.22 111.006 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 14.5 t -82.17 -34.59 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.32 110.042 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 473' ' ' MET . 52.7 t30 -129.55 89.81 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 74.03 109.312 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.36 -20.55 11.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 74.3 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.9 t -74.36 -1.75 22.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.5 1.125 . . . . 63.15 110.316 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -74.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 72.52 110.308 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -116.15 -31.04 5.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 70.44 110.187 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 41.58 44.96 4.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 75.31 111.054 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.7 m -110.32 99.29 39.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 72.34 110.038 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.411 1.743 . . . . 75.11 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -94.89 20.64 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.44 109.285 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 74.7 m -93.6 21.32 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 74.41 108.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.484 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 11.1 t -112.73 126.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.23 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.602 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 2.1 mm -137.3 90.38 15.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.083 . . . . 75.45 109.357 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 75.4 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.41 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 6.8 t80 -77.86 164.99 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 75.54 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -141.93 98.79 6.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.24 109.299 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.446 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -74.98 149.08 36.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 63.13 111.0 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 515' ' ' GLU . 1.7 mt -61.79 -21.31 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 72.24 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.46 ' CB ' HD12 ' A' ' 408' ' ' ILE . 50.6 mm-40 -72.53 -18.58 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 64.31 110.313 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 16.0 m -130.37 177.98 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 72.35 110.022 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.36 162.42 32.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 70.13 109.979 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 512' ' ' ARG . 18.5 Cg_endo -74.89 -31.9 6.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 74.13 111.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.89 70.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.23 109.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 3.0 mt-30 -67.58 -11.64 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 72.54 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.439 HD11 ' CG2' ' A' ' 503' ' ' THR . 1.6 mt -98.82 167.73 10.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 73.34 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.7 m -64.55 156.48 29.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 73.02 109.96 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 37.4 t -65.96 -10.53 40.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 73.13 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -80.96 -30.02 35.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 70.3 109.24 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.496 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 29.8 m -48.15 -49.82 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 74.32 110.443 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -45.45 -32.46 2.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 64.14 109.334 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 10.8 t -90.04 -29.98 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 70.24 110.047 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 92.7 mt -57.03 -38.32 72.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 65.13 109.366 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.2 OUTLIER -100.3 16.94 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.42 109.288 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 12.4 t -51.89 105.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 74.25 110.025 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 89.88 -31.57 5.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 73.34 111.049 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 486' ' ' VAL . 9.8 mt -47.42 172.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 0.748 . . . . 73.35 109.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 487' ' ' ILE . 75.6 t -108.7 99.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 73.31 109.216 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 496' ' ' PRO . 12.0 ttp180 -94.71 133.95 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.609 1.193 . . . . 63.14 110.295 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.602 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -105.29 161.24 14.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 75.42 109.179 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.6 m-20 -145.38 133.75 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.45 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.508 ' HB3' ' CD2' ' A' ' 492' ' ' LEU . 5.3 tp10 -79.38 3.43 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.02 110.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.568 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 1.2 p-80 -124.67 38.57 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 71.44 109.601 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.7 t -133.51 126.54 31.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 63.53 109.947 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -75.76 -0.85 22.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.51 110.312 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.46 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.59 -27.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 74.34 109.32 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 513' ' ' LEU . 1.4 t80 -40.24 -34.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.23 110.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 74.44 109.335 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.71 -21.84 60.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.02 110.238 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.46 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 28.2 mmmt -72.73 -46.1 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 74.13 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 416' ' ' LEU . 1.2 p -74.79 -45.79 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 71.14 109.309 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -65.11 -10.85 33.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 72.41 109.287 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.9 m-20 -86.23 -53.0 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.634 1.209 . . . . 72.45 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 8.4 t -78.98 -55.44 5.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 73.11 110.413 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.429 ' N ' ' CG2' ' A' ' 527' ' ' THR . 31.4 m-85 -82.32 56.93 3.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 71.44 111.059 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 41.6 mttt -72.94 158.51 87.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 75.42 109.228 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -33.94 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 74.04 111.061 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.469 ' NE2' ' CD ' ' A' ' 532' ' ' ARG . 8.9 p-80 -69.42 -11.49 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 73.01 109.641 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.469 ' CD ' ' NE2' ' A' ' 531' ' ' HIS . 19.3 mmm180 -101.74 -38.2 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 75.34 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.41 109.218 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.398 0.142 . . . . 74.05 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 533' ' ' LEU . 9.9 m-20 -114.72 -11.79 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 65.11 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.709 ' CE2' ' CD1' ' A' ' 416' ' ' LEU . 27.9 p90 -179.84 113.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 74.03 111.051 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.6 t -81.09 109.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 65.24 109.332 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 87.7 mt -77.95 95.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 74.14 109.358 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 427' ' ' PHE . 15.7 tp -78.24 112.21 14.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 71.25 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 20.1 p80 -138.08 -162.51 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.456 1.097 . . . . 74.13 109.707 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.468 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -93.55 -159.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 74.52 109.205 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 -23.36 15.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 62.11 110.385 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -102.59 17.07 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 74.3 109.285 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.27 28.32 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 72.44 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 34.2 tt0 -66.12 -76.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 73.24 110.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.489 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.1 p-80 -38.22 -37.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 74.25 109.611 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 407' ' ' HIS . 28.4 mt -56.25 -54.82 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.01 109.334 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.42 -44.52 90.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.526 1.141 . . . . 72.22 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 11.5 mt -60.91 -25.14 66.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 71.01 109.279 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -79.2 -12.75 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.42 110.372 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -96.32 -52.89 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 73.03 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.479 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.3 mtm180 -36.71 -42.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 75.13 110.335 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 415' ' ' LYS . 29.6 mt-10 -73.03 -60.67 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 55.31 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.78 -48.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 75.12 109.245 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.709 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 98.5 mt -47.94 -57.2 6.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 64.43 109.359 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.53 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.51 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' LEU . . . -64.04 -54.1 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.378 1.048 . . . . 75.24 109.241 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.1 mt -67.77 -45.26 75.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 75.45 109.317 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.36 -67.77 0.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 60.23 111.063 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.702 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.09 138.15 0.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 62.53 109.255 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 70.04 110.944 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.585 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -64.35 -42.03 96.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.51 109.267 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 425' ' ' ALA . . . 78.17 -95.38 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 64.31 111.002 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.77 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 73.3 109.317 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -151.98 139.87 20.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 73.23 110.463 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 400' ' ' LEU . 24.1 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 75.12 110.989 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 447' ' ' ASP . 29.8 mm-40 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.289 -0.263 . . . . 73.01 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -71.62 -5.61 34.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 72.32 109.296 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.496 ' CB ' HD12 ' A' ' 452' ' ' ILE . . . -92.82 -36.34 12.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 70.53 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 446' ' ' ILE . 0.1 OUTLIER -101.56 2.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 74.03 109.304 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 443' ' ' GLN . 80.9 m-20 -102.02 -48.97 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 65.2 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -138.53 67.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 64.44 109.557 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -162.07 114.95 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 74.14 110.045 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.539 ' HB3' ' CD1' ' A' ' 451' ' ' PHE . . . -39.26 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.486 1.116 . . . . 75.24 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.539 ' CD1' ' HB3' ' A' ' 450' ' ' ALA . 14.3 m-85 -127.47 142.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 71.33 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 445' ' ' ALA . 12.5 mm -79.46 131.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.52 109.369 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.461 HD13 ' CZ ' ' A' ' 528' ' ' PHE . 7.6 mt -109.14 113.72 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.093 . . . . 73.32 109.333 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 486' ' ' VAL . 1.2 mm? -97.81 106.39 18.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 74.21 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 11.5 tp -67.07 94.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 74.14 109.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 456' ' ' LEU . 4.8 mt -76.24 96.27 3.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 74.11 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.468 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 1.6 p -136.96 156.31 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 75.32 110.38 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -10.75 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.01 110.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 8.3 m120 -95.46 -4.64 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 65.15 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 400' ' ' LEU . 48.0 t80 -125.64 170.59 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 75.12 110.993 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 0.6 OUTLIER -120.39 117.56 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 74.23 109.283 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 463' ' ' ARG . 4.8 m -68.25 -48.52 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.45 108.225 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 467' ' ' HIS . 12.9 mtt-85 -38.35 -58.08 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 64.4 110.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 467' ' ' HIS . 1.7 tm? -58.5 -54.7 44.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 64.53 109.218 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.46 ' HA ' ' CD2' ' A' ' 400' ' ' LEU . 0.6 OUTLIER -38.71 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 72.45 110.061 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.9 tm? -85.06 -50.49 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.35 109.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 463' ' ' ARG . 1.7 m-70 -51.79 -28.79 16.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 71.44 109.674 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.435 ' C ' ' N ' ' A' ' 470' ' ' ASN . 32.5 mt-30 -78.93 -77.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 61.54 110.249 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.1 p -40.09 -30.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 74.42 109.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 468' ' ' GLN . 0.7 OUTLIER -57.87 -74.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.34 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.4 mm100 -41.01 -47.17 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 73.14 110.367 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -52.94 -53.91 42.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 73.54 109.264 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 54.0 mtt -52.45 -70.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.4 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.466 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.17 -17.5 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 75.43 111.054 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.2 t -83.04 -28.28 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.13 110.016 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.2 t30 -139.08 88.56 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 72.21 109.286 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -111.55 -20.45 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 64.34 109.336 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.6 t -74.92 -1.4 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.45 110.353 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -103.28 -73.5 0.66 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 74.3 110.332 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 0.4 OUTLIER -115.39 -33.58 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.2 110.253 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.08 44.8 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 74.14 110.909 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 66.8 m -109.93 99.77 40.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 74.53 110.079 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . 0.465 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.08 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.598 1.841 . . . . 74.31 110.953 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -100.85 13.23 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 74.34 109.256 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 7.9 m -93.08 42.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.33 108.34 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 58.4 t -121.72 131.95 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 75.52 109.296 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 2.4 mm -136.01 98.06 11.94 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 75.05 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 74.54 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.74 169.22 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 75.31 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.81 101.89 2.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 73.24 109.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.405 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 149.53 36.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 65.34 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.2 mp -56.71 -32.93 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.4 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.26 -33.35 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 74.52 110.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.406 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -116.26 -177.43 3.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 71.34 110.037 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' ' 498' ' ' GLN . 0.5 OUTLIER -147.51 165.36 19.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 70.12 110.032 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 -31.18 6.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.578 1.831 . . . . 75.1 110.968 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.18 69.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 73.15 109.249 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . 0.411 ' HG3' ' CB ' ' A' ' 495' ' ' SER . 3.4 mt-30 -71.51 -5.18 31.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 73.52 110.273 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.91 163.75 12.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.31 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 7.1 p -71.08 154.97 41.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 72.43 110.001 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 8.3 t -65.76 -11.2 43.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 74.54 109.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.9 OUTLIER -84.72 -37.03 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 72.12 109.303 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' THR . . . . . . . . . . . . . 2.2 m -42.4 -27.52 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 72.21 110.433 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -71.56 -49.07 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 72.3 109.234 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 3.8 m -74.23 -17.72 60.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 70.34 109.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.7 -33.05 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.618 1.199 . . . . 74.14 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.5 pp -111.55 16.31 20.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 71.22 109.284 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.1 t -50.58 100.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.54 109.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.68 -38.29 2.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 74.41 111.04 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 486' ' ' VAL . 28.7 mt -51.43 179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 73.21 109.334 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 38.5 t -112.75 92.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 71.15 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -52.95 107.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 72.33 110.24 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' A' ' 523' ' ' LYS . 5.7 tp -96.49 132.78 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 72.54 109.311 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.57 167.67 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.31 109.312 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 7.4 tp10 -113.75 -10.8 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 72.12 110.395 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -99.44 -12.81 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 72.51 109.55 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.35 133.0 38.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 72.13 110.02 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.4 pt20 -78.74 2.46 19.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.14 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.46 HD12 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.08 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 74.01 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.4 t80 -40.78 -34.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 74.31 111.036 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.09 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 75.11 109.275 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 519' ' ' ILE . 8.8 mpt_? -75.18 -19.31 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 74.53 110.264 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.477 ' CB ' ' CD1' ' A' ' 513' ' ' LEU . 28.7 mmmt -74.56 -44.22 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.42 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.1 p -73.29 -40.68 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 75.02 109.328 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.73 -3.95 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 73.5 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.0 m-20 -95.22 -38.75 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 73.2 109.268 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.0 t -95.97 -54.21 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 74.44 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 453' ' ' ILE . 54.4 m-85 -85.92 50.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 71.42 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 30.7 mttt -61.37 160.05 26.92 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 62.44 109.23 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -32.71 5.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.587 1.835 . . . . 64.13 110.945 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.466 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 1.3 p-80 -70.33 -8.65 52.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 71.44 109.579 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.415 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 29.4 mmm180 -101.47 -54.42 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 71.43 110.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.464 ' CD1' ' ND2' ' A' ' 396' ' ' ASN . 1.6 mm? . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 74.43 109.345 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 1.1 m-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.198 . . . . 72.24 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.505 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 8.4 m-80 -112.61 -11.35 13.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 72.01 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.714 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 27.4 p90 -178.71 112.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 71.25 110.976 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.503 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.3 OUTLIER -78.23 115.17 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 75.3 109.314 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 427' ' ' PHE . 56.8 mt -87.09 121.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 62.55 109.263 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.9 mm? -93.48 91.07 6.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.33 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 402' ' ' ALA . 3.1 p80 -116.24 176.86 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.646 1.216 . . . . 73.2 109.593 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 401' ' ' HIS . . . -85.85 -158.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.31 109.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -98.6 -20.24 17.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 71.12 110.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.55 16.55 23.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 73.15 109.284 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.27 26.06 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 64.43 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 29.0 tt0 -61.06 -74.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 71.33 110.242 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 22.1 p-80 -42.2 -34.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 74.33 109.557 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 493' ' ' GLU . 55.8 mt -60.53 -48.91 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 74.24 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.06 -58.14 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 73.12 109.258 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 8.7 mp -49.92 -23.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 75.5 109.236 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 1.3 tmm_? -76.26 -35.08 59.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 75.2 110.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.503 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.8 t -75.3 -54.76 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 74.41 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.0 mtm180 -33.09 -45.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.51 110.394 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -70.89 -61.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 75.2 110.274 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -38.78 -53.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.13 109.32 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.576 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 87.8 mt -40.26 -57.14 1.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 74.51 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 416' ' ' LEU . 9.9 mt-10 -36.15 -43.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 74.21 110.378 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.46 39.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 71.31 109.382 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.47 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.47 -45.98 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 71.51 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.84 -68.77 0.19 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 63.11 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.714 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.08 137.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 74.15 109.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 73.33 111.04 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.549 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 4.9 p-10 -65.48 -40.45 93.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 74.34 109.274 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 74.34 -96.28 0.9 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 65.41 110.974 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 426' ' ' THR . . . 166.44 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 74.02 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.4 p -152.29 108.24 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 75.44 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . 0.557 ' CD2' HD11 ' A' ' 400' ' ' LEU . 1.2 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 70.11 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.294 -0.261 . . . . 74.31 110.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 0.2 OUTLIER -84.01 -15.93 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 64.22 109.328 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -83.0 -14.96 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.34 109.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 1.3 tt -82.11 -28.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 74.24 109.262 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.24 -27.54 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 73.45 109.307 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 5.3 t-160 -95.94 26.37 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.34 109.614 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -161.25 162.47 31.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.35 110.022 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -68.4 -72.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.2 109.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -133.89 139.57 46.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.42 110.892 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.478 ' CG2' HG11 ' A' ' 398' ' ' VAL . 17.9 mm -78.7 130.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 74.33 109.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 397' ' ' PHE . 77.0 mt -109.19 121.98 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.3 109.279 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 17.4 mt -97.48 98.7 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 65.41 109.309 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 8.5 tp -69.83 79.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.53 109.277 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.475 ' CD1' HD12 ' A' ' 507' ' ' LEU . 4.9 mt -68.94 106.86 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.22 109.209 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.424 HG21 ' CD ' ' A' ' 491' ' ' PRO . 70.6 p -137.9 154.19 49.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.43 110.38 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 39.9 p -59.21 -15.69 16.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 109.959 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.27 -20.08 20.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.43 109.233 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 51.6 t80 -114.45 171.59 7.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 74.31 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.592 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.6 m-20 -116.9 143.21 45.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.42 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.59 -54.37 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 72.24 108.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -38.88 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 73.25 110.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.0 tm? -75.34 -75.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 74.33 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 464' ' ' LEU . 0.3 OUTLIER -39.11 -52.68 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 71.55 110.032 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.441 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.5 tm? -54.9 -45.88 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 73.23 109.248 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.544 ' CE1' ' OE1' ' A' ' 471' ' ' GLN . 7.0 t60 -57.63 -55.38 35.54 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.477 1.111 . . . . 71.41 109.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 469' ' ' VAL . 3.8 mt-30 -57.99 -69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 74.3 110.306 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.7 OUTLIER -39.67 -49.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 74.14 109.344 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.501 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.0 OUTLIER -48.34 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 73.4 109.302 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.544 ' OE1' ' CE1' ' A' ' 467' ' ' HIS . 4.2 mt-30 -39.51 -45.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 62.02 110.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 476' ' ' ASN . . . -46.49 -57.07 5.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.24 109.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.544 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 57.1 mtt -45.87 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 71.11 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.453 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.01 -17.71 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 74.24 110.98 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 19.2 m -82.63 -28.4 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 73.51 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 472' ' ' ALA . 48.4 t30 -141.18 90.6 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 65.2 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.0 mt -112.52 -21.09 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 64.31 109.213 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.1 t -75.99 0.28 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.1 110.383 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.421 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 14.2 mmt-85 -107.03 -72.91 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.12 110.233 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.2 OUTLIER -116.63 -34.96 4.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 74.55 110.316 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.444 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 39.43 56.92 2.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.607 1.192 . . . . 75.5 111.062 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.1 t -111.21 98.15 38.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 72.04 110.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 72.2 110.991 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -113.84 38.34 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.54 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.0 m -112.31 22.52 14.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 53.01 108.254 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.544 ' CG2' ' CE ' ' A' ' 473' ' ' MET . 2.0 t -107.69 114.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.43 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 513' ' ' LEU . 1.4 mm -122.67 98.41 43.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.31 109.378 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . 0.42 ' HG3' ' CB ' ' A' ' 507' ' ' LEU . 18.2 Cg_endo -75.02 102.67 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 75.42 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.503 ' CE1' HG21 ' A' ' 412' ' ' VAL . 6.8 t80 -86.74 149.94 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.2 110.955 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . 0.423 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.8 tm? -139.7 103.74 6.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 64.41 109.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.424 ' CD ' HG21 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.05 171.81 17.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 73.54 110.998 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 3.0 mp -75.89 -29.44 58.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 74.52 109.235 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.459 ' CB ' HD13 ' A' ' 408' ' ' ILE . 53.2 mm-40 -62.07 -29.69 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 71.44 110.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 491' ' ' PRO . 4.5 m -123.94 174.33 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 72.44 110.019 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' SER . . . . . 0.423 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.2 164.17 24.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 65.43 109.935 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -34.76 3.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 73.41 110.999 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -57.45 -36.55 71.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 71.13 109.355 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.54 -20.94 66.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.41 110.271 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.428 ' CD1' HG23 ' A' ' 503' ' ' THR . 4.7 mt -86.74 169.94 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 75.42 109.242 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.6 m -61.97 152.52 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 1.113 . . . . 73.34 109.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 68.1 m -61.06 -14.52 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 72.43 109.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 505' ' ' SER . 3.1 m-20 -78.02 -35.1 50.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.626 1.204 . . . . 62.14 109.341 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.474 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 7.5 m -43.23 -55.32 4.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 70.15 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.97 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 71.4 109.204 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 502' ' ' ASP . 23.1 t -84.23 -26.57 28.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 71.43 110.001 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 94.8 mt -62.62 -41.09 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 507' ' ' LEU . 0.0 OUTLIER -117.57 22.76 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 74.5 109.324 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' SER . . . . . 0.428 ' CB ' ' HA ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -59.4 -32.91 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 73.03 109.981 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.08 -27.05 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 73.23 110.968 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 50.7 mt -69.55 165.65 20.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 73.44 109.345 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 73.0 t -83.75 87.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 53.24 109.296 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.424 ' CZ ' ' OD2' ' A' ' 514' ' ' ASP . 1.2 tmm_? -52.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.42 110.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 487' ' ' ILE . 4.9 tp -73.24 131.67 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 75.32 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -120.33 167.85 11.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 75.03 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 515' ' ' GLU . 10.1 tp10 -123.72 8.54 8.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 73.5 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.84 10.66 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 75.14 109.581 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.9 t -93.06 146.9 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.43 109.955 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -85.59 -6.09 59.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 74.44 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.473 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.71 -26.81 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 74.34 109.375 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.67 -34.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.12 110.947 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.72 81.1 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 73.23 109.27 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.4 mpt_? -73.8 -20.72 60.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 73.3 110.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 12.2 mmmt -74.08 -47.2 38.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 75.31 109.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 419' ' ' LEU . 2.5 p -74.08 -35.11 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.53 109.285 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.416 ' N ' HG12 ' A' ' 524' ' ' VAL . . . -74.38 -5.61 43.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 74.33 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 2.1 m-20 -95.63 -47.22 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 73.24 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 6.3 t -80.51 -51.42 8.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 73.45 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.478 ' N ' ' CG2' ' A' ' 527' ' ' THR . 49.1 m-85 -93.78 65.06 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.399 1.062 . . . . 74.43 111.057 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.595 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 0.1 OUTLIER -71.64 164.96 53.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 72.31 109.323 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.59 5.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.4 1.737 . . . . 73.31 111.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.595 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 6.9 p80 -76.98 -23.0 52.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.53 109.524 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 532' ' ' ARG . 6.4 mmt180 -92.99 -13.52 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 64.41 110.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.505 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 2.5 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.42 109.342 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 3.2 m-85 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.597 0.237 . . . . 75.41 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 450' ' ' ALA . 2.4 t30 -113.27 -13.55 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.55 109.277 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 23.7 p90 -164.18 130.38 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 75.51 110.969 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' VAL . . . . . 0.473 HG12 ' CB ' ' A' ' 445' ' ' ALA . 9.8 p -98.87 115.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 74.23 109.288 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.61 100.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 74.55 109.189 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 455' ' ' LEU . 0.2 OUTLIER -76.74 122.63 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 62.41 109.275 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.1 p80 -149.55 -176.51 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 74.33 109.498 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' ALA . . . . . 0.456 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -82.79 -159.47 0.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.489 1.118 . . . . 74.24 109.346 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.7 -16.58 18.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.02 110.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.88 16.8 23.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 73.11 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.17 26.84 8.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 63.41 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' GLU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.1 tt0 -61.87 -77.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.51 110.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' HIS . . . . . 0.471 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.6 p-80 -39.72 -40.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 73.25 109.569 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 407' ' ' HIS . 81.7 mt -55.54 -51.13 61.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 71.03 109.316 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.52 -50.04 64.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 73.34 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.74 -13.56 34.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 75.21 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 407' ' ' HIS . 0.7 OUTLIER -84.96 -15.86 42.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 74.13 110.247 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 413' ' ' ARG . 4.2 t -96.38 -51.53 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 74.44 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.456 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.8 mtm180 -36.34 -40.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 72.43 110.323 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 415' ' ' LYS . 54.6 mt-10 -72.84 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 74.4 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -48.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 72.22 109.226 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' LEU . . . . . 0.696 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 88.4 mt -46.9 -60.17 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 1.118 . . . . 74.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -38.68 -29.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 72.52 110.32 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 415' ' ' LYS . . . -65.18 -53.65 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 75.11 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 416' ' ' LEU . 0.9 OUTLIER -68.51 -46.18 70.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 74.32 109.264 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 170.42 -70.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 72.2 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.32 137.19 1.02 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 73.12 109.346 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.32 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.761 . . . . 74.45 110.976 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' ASP . . . . . 0.52 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 2.2 p-10 -62.04 -43.11 99.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 62.44 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.25 -96.99 1.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.435 1.084 . . . . 72.13 110.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.28 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.572 0.807 . . . . 75.33 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.7 p -152.03 158.75 43.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 70.5 110.394 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 75.31 110.969 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 443' ' ' GLN . 30.2 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.26 -0.274 . . . . 74.45 110.26 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 75.42 109.23 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' ALA . . . . . 0.493 ' CB ' ' OG ' ' A' ' 449' ' ' SER . . . -76.46 -28.38 56.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.53 109.327 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' ILE . . . . . 0.434 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.9 mt -53.81 -33.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.14 109.294 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.78 -56.95 2.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 75.5 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -55.71 -50.21 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 73.44 109.601 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' SER . . . . . 0.493 ' OG ' ' CB ' ' A' ' 445' ' ' ALA . 1.1 m -84.88 137.01 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 53.23 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 396' ' ' ASN . . . -49.97 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 73.51 109.264 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 3.9 m-85 -116.09 129.73 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 72.43 110.923 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 398' ' ' VAL . 19.8 mm -75.52 131.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.563 1.164 . . . . 75.03 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 397' ' ' PHE . 10.4 mt -105.8 116.81 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.12 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 1.8 mp -95.52 109.88 22.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 73.01 109.362 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' LEU . . . . . 0.47 ' O ' ' CD2' ' A' ' 460' ' ' PHE . 8.3 tp -79.01 79.44 5.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.35 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 507' ' ' LEU . 3.9 mt -67.18 93.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 75.04 109.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.467 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 15.8 p -128.57 153.85 46.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.41 110.405 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.4 p -59.23 -16.26 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.626 1.204 . . . . 65.33 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -94.14 -18.97 21.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 63.23 109.361 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 46.7 t80 -111.0 160.45 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.54 111.044 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 11.1 t70 -106.41 131.07 54.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 71.43 109.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.94 -53.97 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 74.12 108.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -38.83 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 74.23 110.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 466' ' ' LEU . 1.5 tm? -72.88 -75.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 73.22 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' SER . . . . . 0.441 ' O ' ' CG1' ' A' ' 469' ' ' VAL . 1.5 p -38.62 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 72.34 109.966 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 464' ' ' LEU . 7.0 tt -73.05 -56.57 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.32 109.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.4 OUTLIER -52.85 -40.37 63.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 75.32 109.608 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 9.1 mt-30 -70.28 -74.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 74.44 110.214 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' VAL . . . . . 0.442 ' CG2' ' HE3' ' A' ' 473' ' ' MET . 7.2 p -40.18 -32.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.22 109.214 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 0.9 OUTLIER -63.98 -70.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 73.32 109.227 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 475' ' ' SER . 35.3 mm-40 -48.84 -52.01 26.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 75.21 110.304 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' A' ' 443' ' ' GLN . . . -50.95 -55.46 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.43 109.306 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' MET . . . . . 0.442 ' HE3' ' CG2' ' A' ' 469' ' ' VAL . 22.1 mtt -47.48 -71.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 72.31 111.032 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -57.42 -15.87 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.12 111.066 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 27.5 t -85.57 -24.52 27.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.569 1.168 . . . . 62.02 109.933 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 43.7 t30 -137.56 77.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 70.25 109.256 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -101.56 -21.71 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 65.21 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 5.9 t -72.2 -3.79 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 73.33 110.477 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 18.3 mmt-85 -101.21 -73.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 73.43 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -116.7 -35.01 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.2 110.259 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 38.49 58.07 1.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 73.4 111.048 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.09 94.44 43.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.15 110.084 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 0.18 9.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 62.03 111.044 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.91 15.15 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 73.12 109.224 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 4.7 m -93.9 20.99 7.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 61.13 108.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' VAL . . . . . 0.448 ' HB ' ' CD1' ' A' ' 510' ' ' LEU . 2.2 t -105.87 114.05 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.24 109.289 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 3.0 mm -115.61 95.12 42.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.24 109.29 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 97.54 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 74.32 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' PHE . . . . . 0.463 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 6.5 t80 -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 74.24 111.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -152.44 103.92 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 74.42 109.274 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' PRO . . . . . 0.448 ' CG ' HG23 ' A' ' 457' ' ' THR . 18.2 Cg_endo -75.09 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.413 1.744 . . . . 75.42 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.4 mp -78.07 -25.18 47.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 71.42 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.464 ' CB ' HD13 ' A' ' 408' ' ' ILE . 6.7 mm-40 -64.32 -36.23 83.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 60.43 110.371 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' SER . . . . . 0.405 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 23.1 m -120.5 170.95 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 72.01 110.025 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.35 166.49 15.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.401 1.063 . . . . 72.23 109.996 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' PRO . . . . . 0.423 ' HB3' ' NH2' ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.01 -31.72 5.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 73.42 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.38 67.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 63.45 109.272 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -79.6 -12.81 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 74.45 110.237 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 503' ' ' THR . 12.0 mt -90.25 -174.76 4.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 74.22 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 501' ' ' SER . 3.0 t -80.85 173.24 12.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 74.3 110.046 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' SER . . . . . 0.402 ' N ' ' OG ' ' A' ' 500' ' ' SER . 8.4 t -79.91 -6.57 57.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 70.32 109.976 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 505' ' ' SER . 7.8 m-20 -97.21 -39.36 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.54 109.34 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' THR . . . . . 0.464 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 3.2 m -44.38 -26.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.164 . . . . 72.03 110.444 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.07 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 74.31 109.374 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.8 m -77.95 -10.64 59.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.23 110.038 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 63.1 mt -79.7 -27.71 40.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 74.02 109.251 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 456' ' ' LEU . 3.3 pp -111.14 -14.39 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.11 109.324 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 89.5 p -50.73 105.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.11 109.999 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 134.55 -23.69 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 71.41 110.98 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' LEU . . . . . 0.448 ' CD1' ' HB ' ' A' ' 486' ' ' VAL . 10.6 mt -104.62 136.93 43.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 75.12 109.26 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.42 108.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 64.54 109.34 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' A' ' 496' ' ' PRO . 0.0 OUTLIER -70.45 134.37 47.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 74.42 110.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 3.8 tp -104.84 149.49 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 74.41 109.372 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.0 t0 -145.32 167.72 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 73.41 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.424 ' CG ' HD12 ' A' ' 492' ' ' LEU . 44.8 tt0 -112.26 -33.99 6.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 74.14 110.211 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' HIS . . . . . 0.45 ' CD2' ' OD2' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -95.83 29.4 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 75.03 109.549 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.1 t -105.61 156.99 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 73.33 110.004 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -102.88 -7.48 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 72.44 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 519' ' ' ILE . . . . . 0.47 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 71.41 109.302 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 520' ' ' PHE . . . . . 0.561 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.2 t80 -39.48 -35.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 75.34 111.045 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 75.22 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 522' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.0 mpt_? -73.75 -19.18 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.43 110.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 523' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 9.1 mmmt -77.06 -39.18 50.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 73.24 109.378 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 524' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 419' ' ' LEU . 0.5 OUTLIER -79.5 -46.64 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.34 109.319 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 525' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -64.48 -11.7 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 71.23 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -89.59 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.35 109.259 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 527' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 7.7 t -74.99 -54.84 6.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 75.22 110.415 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 528' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 524' ' ' VAL . 32.8 m-85 -86.31 46.35 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.03 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 529' ' ' LYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 46.7 mttt -45.69 152.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 65.54 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 71.13 110.945 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -54.51 -19.66 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.135 . . . . 74.43 109.545 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -87.95 -37.47 16.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 74.02 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 533' ' ' LEU . . . . . 0.409 ' N ' HD22 ' A' ' 533' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.382 1.051 . . . . 72.12 109.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 3.0 mtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.547 0.213 . . . . 65.32 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -169.62 134.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 71.15 110.318 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 88.1 p -98.45 99.38 10.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 64.22 109.993 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 31.0 p 41.37 46.32 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 1.052 . . . . 73.5 109.949 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 30.5 t -72.18 146.48 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 75.21 109.996 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.1 -178.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 74.1 110.287 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -83.42 115.27 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 74.21 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -117.13 134.97 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 73.31 109.284 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -158.01 141.78 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.374 1.046 . . . . 64.4 111.025 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 2.2 m-85 -102.15 169.24 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 65.34 111.034 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.456 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 14.8 m-80 -112.3 -14.29 13.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.22 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.709 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 7.0 p90 -164.69 153.12 12.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.54 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.3 OUTLIER -109.67 115.51 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 71.03 109.262 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 54.0 mt -86.6 96.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 70.23 109.262 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 427' ' ' PHE . 5.9 mt -80.74 118.68 22.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 73.2 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 11.2 p80 -155.0 158.24 38.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 73.31 109.589 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.488 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -56.97 -165.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 71.33 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -9.12 23.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 74.11 110.237 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.6 16.85 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 62.22 109.348 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -127.05 35.99 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 72.34 109.281 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.554 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 31.9 tt0 -66.43 -76.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 65.41 110.364 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 11.5 p-80 -38.19 -35.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.32 109.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.447 HD12 ' CB ' ' A' ' 493' ' ' GLU . 47.9 mt -58.27 -54.95 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.22 109.297 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.45 -46.62 79.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 72.13 109.296 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 410' ' ' LEU . 2.3 mt -57.06 -25.54 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 75.2 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -80.91 -21.35 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 74.23 110.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.556 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 4.8 t -84.29 -52.53 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.069 . . . . 75.01 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.478 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.7 mtm180 -38.2 -51.47 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 65.45 110.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 67.4 mt-10 -67.12 -51.9 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.21 110.351 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.06 -27.03 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 74.53 109.346 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.642 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 64.1 mt -76.99 -33.8 57.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 70.05 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.9 mt-10 -76.19 -8.12 56.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 75.32 110.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -90.75 -9.35 46.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 63.3 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.477 ' CD1' HG11 ' A' ' 524' ' ' VAL . 0.8 OUTLIER -116.37 -44.96 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 74.14 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.14 -76.29 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 55.4 110.995 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.709 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -40.36 138.04 1.23 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 0.733 . . . . 74.22 109.363 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 64.33 111.048 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.441 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.9 p-10 -59.11 -44.46 91.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 75.42 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.02 -92.79 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 74.33 110.997 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.46 -175.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 0.76 . . . . 72.44 109.249 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 2.9 p -152.12 120.17 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.14 110.35 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.647 ' CD1' ' CD2' ' A' ' 439' ' ' LEU . 1.9 t80 -92.11 115.75 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 74.43 110.993 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 41.0 t -124.82 137.5 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 60.53 108.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -93.78 122.73 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 73.11 110.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -118.49 132.81 56.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 63.24 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -85.44 2.45 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 70.15 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -78.81 -37.67 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 61.33 110.284 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 11.3 m -84.61 178.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 71.4 109.398 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . 0.607 ' CE1' ' CA ' ' A' ' 437' ' ' GLY . 5.9 p80 -71.36 -29.99 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 61.2 109.623 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 134.99 -64.07 0.59 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 73.13 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -93.03 42.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 75.32 110.283 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . 0.607 ' CA ' ' CE1' ' A' ' 434' ' ' HIS . . . -114.38 1.47 23.7 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.6 1.188 . . . . 71.51 111.103 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -105.52 -70.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 72.41 110.31 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.647 ' CD2' ' CD1' ' A' ' 427' ' ' PHE . 1.2 pp -126.54 175.51 7.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 65.14 109.31 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' SER . . . . . 0.418 ' N ' HD12 ' A' ' 439' ' ' LEU . 12.6 t -66.94 -72.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.614 1.196 . . . . 73.43 110.009 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.55 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 1.7 m -157.6 -178.07 7.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 71.1 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -82.94 -33.98 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 65.31 109.341 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.465 ' CB ' ' HB2' ' A' ' 472' ' ' ALA . 6.7 pt20 -73.39 -5.62 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 75.03 110.339 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -73.57 -48.24 34.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 73.45 109.264 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 452' ' ' ILE . . . -67.04 -14.66 63.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 73.44 109.234 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.437 ' CG1' HG13 ' A' ' 452' ' ' ILE . 7.2 mt -79.93 -31.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 74.23 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.96 -12.02 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.22 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 444' ' ' ASP . 5.9 m-70 -106.42 -55.92 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 74.05 109.579 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.465 ' OG ' ' CB ' ' A' ' 445' ' ' ALA . 0.8 OUTLIER -79.94 143.03 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 72.02 110.003 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 451' ' ' PHE . . . -53.26 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 74.11 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD2' ' SG ' ' A' ' 485' ' ' CYS . 3.0 m-85 -121.71 130.53 53.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 74.04 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 445' ' ' ALA . 26.0 mm -71.52 130.23 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.063 . . . . 73.21 109.222 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 397' ' ' PHE . 5.8 mt -106.34 112.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 73.43 109.27 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 1.1 mp -95.41 107.55 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 71.22 109.396 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.539 ' O ' ' CD2' ' A' ' 460' ' ' PHE . 7.2 tp -73.93 79.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 75.1 109.303 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 5.6 mt -66.03 91.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.15 109.3 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.464 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 12.9 p -129.74 149.94 51.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.52 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 498' ' ' GLN . 0.4 OUTLIER -57.04 -17.57 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 75.33 110.014 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.94 -22.84 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 73.3 109.311 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 48.6 t80 -104.37 165.25 11.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 74.31 110.959 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -106.62 124.15 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 72.23 109.259 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.4 m -92.2 -52.41 4.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 70.01 108.264 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -38.87 -59.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 71.41 110.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.5 tm? -51.71 -61.49 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 75.25 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.29 -45.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.473 1.108 . . . . 75.34 109.975 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -59.84 -48.37 81.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 75.12 109.272 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 21.5 m-70 -56.86 -56.1 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 72.13 109.525 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.416 ' NE2' HD13 ' A' ' 464' ' ' LEU . 27.7 mt-30 -57.32 -69.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 74.1 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.6 OUTLIER -39.75 -45.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.45 109.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.1 m-80 -56.55 -69.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 73.34 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.1 mm100 -40.67 -45.94 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 74.42 110.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.465 ' HB2' ' CB ' ' A' ' 443' ' ' GLN . . . -57.23 -46.09 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 75.13 109.196 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.493 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 32.7 mtt -64.64 -57.96 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.54 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.44 32.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 61.31 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.4 t -78.01 -53.08 7.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 75.45 109.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.695 ' ND2' HE22 ' A' ' 480' ' ' GLN . 15.2 p-10 -133.08 94.66 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 64.14 109.346 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 473' ' ' MET . 10.0 mt -92.87 -37.23 12.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 75.03 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.4 t -56.56 -17.21 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 71.31 110.395 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -78.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.408 1.068 . . . . 73.23 110.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.695 HE22 ' ND2' ' A' ' 476' ' ' ASN . 2.3 pm0 -111.51 -23.36 10.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 1.155 . . . . 74.43 110.405 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.4 43.8 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.416 1.072 . . . . 62.4 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.65 81.1 14.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 63.23 110.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.28 9.09 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.781 . . . . 70.02 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 34.1 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 75.12 109.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.579 ' SG ' ' CD2' ' A' ' 451' ' ' PHE . 0.5 OUTLIER -106.49 20.38 19.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 71.24 108.31 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.486 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 2.9 t -92.5 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 62.13 109.211 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 4.1 mm -140.01 95.47 8.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 73.21 109.35 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 94.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 73.35 110.989 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.556 ' CE2' ' CG2' ' A' ' 412' ' ' VAL . 8.2 t80 -80.76 146.95 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.52 111.044 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.432 HD23 ' CA ' ' A' ' 495' ' ' SER . 2.3 tm? -133.44 103.6 12.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.53 109.319 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.441 ' CG ' HG21 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.99 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 74.45 110.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.8 mp -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 73.31 109.222 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.447 ' CB ' HD12 ' A' ' 408' ' ' ILE . 3.5 mm-40 -58.89 -36.6 74.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.44 110.354 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -120.53 175.67 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 71.14 109.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' SER . . . . . 0.432 ' CA ' HD23 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.6 166.13 17.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 71.42 110.032 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.485 1.781 . . . . 73.22 110.994 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.06 -25.72 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.31 109.315 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.416 ' CB ' ' OG ' ' A' ' 458' ' ' SER . 2.0 mt-30 -75.97 -8.46 57.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 74.22 110.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 9.1 mt -97.66 161.92 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.1 109.377 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.3 m -61.45 162.11 8.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.587 1.18 . . . . 64.25 110.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 34.2 t -70.55 -6.53 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.14 110.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 505' ' ' SER . 83.2 m-20 -83.54 -36.13 24.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 72.14 109.193 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.498 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 67.9 m -42.51 -47.59 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 70.14 110.356 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.18 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 65.53 109.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 502' ' ' ASP . 43.4 t -78.71 -25.38 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 71.13 110.035 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 59.6 mt -69.44 -34.26 74.15 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 1.103 . . . . 74.2 109.233 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.498 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.4 OUTLIER -111.19 20.82 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 74.51 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 60.84 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.32 109.935 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 173.05 -38.45 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.168 . . . . 72.12 111.008 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.435 ' CD2' ' HB ' ' A' ' 486' ' ' VAL . 13.2 mt -72.55 -179.65 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 73.54 109.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 70.4 t -104.66 99.46 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.394 1.059 . . . . 62.42 109.26 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 514' ' ' ASP . 2.4 tmm_? -52.04 113.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.32 110.371 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.433 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 9.0 tp -98.84 129.05 45.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 73.52 109.336 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 13.0 m-20 -116.01 167.48 10.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 71.44 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -122.23 5.12 9.74 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 1.139 . . . . 72.4 110.342 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.6 9.12 5.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 71.31 109.601 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.38 139.2 33.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 73.41 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . 0.407 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.2 pp0? -78.93 2.51 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 75.31 110.323 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.465 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.58 -27.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 65.4 109.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.0 t80 -40.01 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 72.3 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.41 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 73.54 109.315 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.22 -20.4 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 73.41 110.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.436 ' CD ' HD13 ' A' ' 519' ' ' ILE . 15.7 mmmt -73.65 -47.43 39.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 63.32 109.311 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.477 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -71.52 -45.5 67.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 74.54 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -66.51 -10.64 46.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 63.54 109.334 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.5 m-20 -87.91 -55.83 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 72.51 109.323 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.491 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -77.44 -54.05 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 64.34 110.359 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 527' ' ' THR . 58.4 m-85 -88.19 55.2 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 71.13 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.66 159.91 22.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 72.21 109.295 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.3 Cg_endo -74.88 -31.62 6.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 73.21 111.056 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.48 ' NE2' ' NE ' ' A' ' 532' ' ' ARG . 3.6 p-80 -75.65 -13.9 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 75.34 109.56 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.48 ' NE ' ' NE2' ' A' ' 531' ' ' HIS . 25.3 mmt180 -98.16 -42.56 7.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 63.15 110.383 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.456 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER -56.3 -29.74 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 75.4 109.36 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 7.1 mt-30 -91.85 -50.54 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 64.31 110.341 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.05 -16.09 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.44 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 15.2 tpt180 -90.99 -28.06 18.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 72.51 110.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -97.59 -10.61 24.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 74.13 109.27 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.464 ' HA ' ' CD ' ' A' ' 541' ' ' ARG . . . -60.31 -15.92 29.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 73.11 109.322 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 76.6 mtm -85.79 -20.09 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 73.33 110.986 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -94.98 -41.01 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 73.14 108.01 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 538' ' ' ALA . 31.9 ptt180 -58.05 -22.57 50.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 73.4 110.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -42.26 -29.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 72.35 109.222 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 541' ' ' ARG . 56.7 mt-10 -60.92 -47.81 84.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 72.14 110.342 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 541' ' ' ARG . 72.3 mm-40 -78.01 -43.11 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 74.33 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 71.21 109.309 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 12.3 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.481 0.181 . . . . 75.14 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.87 132.58 49.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 71.11 110.311 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 27.7 t -123.76 17.15 9.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 1.173 . . . . 62.13 109.972 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 16.6 m -133.39 19.35 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 71.52 110.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.7 t 41.24 41.1 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 74.52 109.978 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -85.78 179.62 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 74.24 110.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -106.23 140.95 38.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 75.13 110.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -105.56 128.55 53.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 74.11 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -158.16 159.46 36.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 65.31 111.017 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -103.19 135.98 43.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 75.42 110.985 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.7 m-80 -112.39 -14.37 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 74.33 109.351 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.708 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 11.0 p90 -170.7 136.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.44 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 3.9 p -100.01 105.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 73.0 109.261 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 22.3 mt -77.28 96.7 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.54 109.26 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.557 ' HG ' ' CZ ' ' A' ' 460' ' ' PHE . 0.7 OUTLIER -78.24 110.2 13.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 71.52 109.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.476 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 19.7 p80 -144.82 174.2 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.45 109.587 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.476 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -67.59 -167.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 72.44 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -11.23 21.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 74.11 110.33 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -104.3 16.88 25.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 74.13 109.278 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.449 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -124.88 26.98 6.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.14 109.281 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 410' ' ' LEU . 23.2 tt0 -61.4 -75.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.394 1.059 . . . . 75.22 110.353 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 17.6 p-80 -41.91 -33.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 75.42 109.657 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.458 HD13 ' CB ' ' A' ' 493' ' ' GLU . 47.1 mt -62.24 -50.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.03 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -71.27 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 72.34 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.455 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 8.2 mp -48.29 -24.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 72.41 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 0.0 OUTLIER -75.99 -36.5 59.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 72.04 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.468 HG21 ' CE2' ' A' ' 489' ' ' PHE . 2.6 t -74.79 -52.32 19.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.45 1.093 . . . . 64.03 109.345 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.465 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 11.2 mtm180 -35.6 -45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 75.22 110.313 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 70.5 mt-10 -69.6 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 75.2 110.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -38.88 -52.45 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 74.53 109.314 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.589 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 94.5 mt -42.17 -57.52 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.416 1.073 . . . . 72.25 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 416' ' ' LEU . 8.9 mt-10 -36.61 -40.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 75.42 110.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -54.95 -53.59 53.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.561 1.163 . . . . 72.45 109.317 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.508 ' CD2' ' CB ' ' A' ' 521' ' ' ALA . 1.8 mt -66.9 -45.86 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.34 109.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.08 -70.68 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.092 . . . . 73.33 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.708 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.49 137.24 1.06 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 72.51 109.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.12 -166.15 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.389 1.731 . . . . 53.15 110.936 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.513 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 72.43 109.23 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 81.39 -95.67 1.69 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 72.52 110.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.38 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 74.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 11.2 p -151.68 145.2 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 75.15 110.474 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' A' ' 439' ' ' LEU . 8.7 t80 -107.22 163.75 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 64.4 111.064 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 1.8 p -136.47 154.38 50.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 73.14 108.373 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -47.11 170.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 74.42 110.242 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.1 OUTLIER -105.59 11.52 32.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 71.52 109.392 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . 0.468 ' CG ' ' O ' ' A' ' 431' ' ' PHE . 25.9 t80 -110.65 21.75 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 75.51 111.082 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -108.57 -20.13 13.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 74.14 110.302 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 2.0 m -106.52 174.14 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 75.32 109.246 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -57.78 -45.42 86.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 72.24 109.586 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -152.9 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 63.03 110.937 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.04 30.82 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 74.23 110.302 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -96.43 26.6 20.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 43.34 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -99.71 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 64.43 110.351 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 427' ' ' PHE . 0.8 OUTLIER -122.44 158.55 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 71.22 109.268 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 439' ' ' LEU . 49.6 m -44.97 -73.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.61 1.194 . . . . 74.44 110.004 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . . . . . . . . . 1.6 p -175.74 173.33 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 74.04 108.317 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 468' ' ' GLN . 0.0 OUTLIER -68.07 -35.45 78.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 73.2 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.426 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.9 OUTLIER -64.21 -11.93 35.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 75.5 110.351 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -63.1 -20.54 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 74.13 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -88.26 -29.44 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.21 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.415 ' CG1' HG13 ' A' ' 452' ' ' ILE . 2.5 mt -60.6 -22.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.12 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -56.49 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 75.12 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -65.55 -55.69 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.12 109.634 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -77.34 160.64 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 74.41 110.044 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.459 ' HB1' ' CD1' ' A' ' 533' ' ' LEU . . . -74.65 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 70.13 109.25 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.494 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 2.2 m-85 -118.43 129.06 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 75.11 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.415 HG13 ' CG1' ' A' ' 446' ' ' ILE . 14.3 mm -71.1 135.87 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 75.21 109.283 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.513 HD13 ' CD2' ' A' ' 397' ' ' PHE . 7.4 mt -110.79 120.99 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 64.25 109.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 3.5 mt -100.96 106.85 18.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.14 109.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.4 tp -73.57 79.6 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 74.23 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 6.4 mt -68.13 92.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 72.15 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.471 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 17.3 p -127.22 158.4 37.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 71.42 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 p -64.25 -12.15 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 74.41 110.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.0 -11.32 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 65.45 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 461' ' ' ASP . 55.1 t80 -124.7 171.44 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 71.23 110.929 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 460' ' ' PHE . 29.8 p30 -120.14 126.23 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.25 109.233 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 464' ' ' LEU . 28.0 p -83.15 -42.34 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 63.53 108.323 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -38.89 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.32 110.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.49 ' CD1' ' OE1' ' A' ' 468' ' ' GLN . 1.7 tm? -82.18 -54.95 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 74.24 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.3 OUTLIER -47.75 -59.58 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 74.11 110.042 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.34 -21.83 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 73.32 109.281 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.504 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 4.6 t60 -91.92 -25.72 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.01 109.591 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.499 ' O ' ' CD1' ' A' ' 442' ' ' LEU . 48.2 mt-30 -86.21 -18.35 32.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 74.33 110.197 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.5 OUTLIER -90.95 -49.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.54 109.332 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.9 m-80 -56.12 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 71.01 109.304 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.504 ' HG3' ' CE1' ' A' ' 467' ' ' HIS . 4.1 mm100 -40.58 -46.24 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 73.23 110.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -51.84 -53.71 37.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 63.41 109.27 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.467 ' HE3' ' CG2' ' A' ' 486' ' ' VAL . 8.4 mtt -53.01 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 74.24 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.466 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -53.08 -19.06 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 71.3 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.7 t -81.53 -30.83 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 61.02 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.511 ' ND2' HE22 ' A' ' 480' ' ' GLN . 47.7 t30 -137.76 90.63 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 74.11 109.326 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -112.75 -20.64 11.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 74.22 109.26 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.455 HG23 ' CD ' ' A' ' 479' ' ' ARG . 6.7 t -74.34 -1.51 21.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 73.2 110.473 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.455 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.4 OUTLIER -107.49 -72.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.543 1.152 . . . . 71.31 110.275 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.511 HE22 ' ND2' ' A' ' 476' ' ' ASN . 3.9 pm0 -116.49 -32.38 5.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 73.02 110.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.461 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 36.8 53.39 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 44.44 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.49 97.55 36.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.529 0.782 . . . . 72.51 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.85 0.92 8.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.558 1.82 . . . . 64.24 111.074 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.5 42.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.11 109.313 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.428 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 30.3 p -120.27 41.42 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 74.21 108.264 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.467 ' CG2' ' HE3' ' A' ' 473' ' ' MET . 2.1 t -118.81 126.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 71.2 109.321 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.451 ' HB ' ' CG1' ' A' ' 453' ' ' ILE . 4.9 mm -133.04 93.05 23.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 74.14 109.222 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 95.34 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 72.01 110.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.468 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.5 t80 -78.3 158.06 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.24 111.034 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.457 HD22 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -145.75 104.13 4.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 74.31 109.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 171.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 64.31 111.024 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -76.19 -27.43 56.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 72.03 109.361 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.458 ' CB ' HD13 ' A' ' 408' ' ' ILE . 4.5 mm-40 -61.97 -34.44 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 73.03 110.292 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.9 m -121.92 176.65 5.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 73.35 110.001 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' SER . . . . . 0.457 ' CA ' HD22 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.69 166.51 18.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 73.42 110.005 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.18 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.443 1.76 . . . . 74.33 111.0 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.48 -26.19 67.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 74.35 109.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -72.38 -11.86 60.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 71.35 110.255 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 7.5 mt -92.66 164.84 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 74.01 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 167.44 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 73.4 109.956 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -72.76 -5.44 37.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 73.13 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.5 OUTLIER -85.25 -38.14 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 71.01 109.269 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.459 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 54.3 m -42.13 -40.58 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 73.22 110.36 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.76 83.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.21 109.266 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -75.74 -14.29 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.04 109.954 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 46.3 mt -83.17 -35.32 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 73.43 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.5 pp -109.1 15.59 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 74.35 109.275 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 11.6 p -71.31 106.58 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 71.12 110.003 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 118.62 -29.67 6.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.101 . . . . 75.13 111.018 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.402 ' CD1' ' HB ' ' A' ' 486' ' ' VAL . 22.5 mt -76.81 -174.96 3.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 0.75 . . . . 72.44 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 12.0 t -113.29 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 73.32 109.286 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.474 ' CZ ' ' OD1' ' A' ' 514' ' ' ASP . 0.0 OUTLIER -53.42 112.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 74.44 110.298 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.477 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 6.0 tp -87.63 134.48 33.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.24 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 12.3 m-20 -121.03 167.63 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 70.43 109.335 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.403 ' OE2' ' CD ' ' A' ' 411' ' ' ARG . 18.7 tt0 -122.07 5.5 9.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 75.45 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.25 12.07 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 75.43 109.513 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 5.5 t -95.86 139.12 32.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 74.1 110.032 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.96 -4.77 53.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.44 110.301 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.46 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.26 -26.34 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.03 109.212 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.7 OUTLIER -40.0 -35.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.14 110.993 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.508 ' CB ' ' CD2' ' A' ' 419' ' ' LEU . . . -55.35 -47.27 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 75.23 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.9 -20.35 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.42 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.46 ' CD ' HD11 ' A' ' 519' ' ' ILE . 12.9 mmmt -74.05 -44.04 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.31 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.477 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.32 -39.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 75.01 109.299 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -73.87 -3.94 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 75.4 109.339 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -96.54 -38.48 9.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.579 1.175 . . . . 74.12 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 10.2 t -92.3 -53.99 4.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 73.04 110.443 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.443 ' CD1' ' CD1' ' A' ' 451' ' ' PHE . 43.1 m-85 -85.99 44.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 74.21 111.028 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.49 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 29.2 mttm -48.52 157.94 0.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.35 109.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . 0.4 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.2 Cg_endo -74.95 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 73.25 111.014 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.49 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.0 OUTLIER -65.08 -11.62 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 63.52 109.624 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 536' ' ' ARG . 0.6 OUTLIER -84.86 -44.91 12.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 73.54 110.261 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.475 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 1.4 mm? -56.09 -58.19 8.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 74.24 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 538' ' ' ALA . 4.5 mt-30 -56.52 -53.08 61.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 75.33 110.283 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.56 51.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 64.31 109.263 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 18.3 tpp180 -95.01 -27.85 15.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 74.52 110.249 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -12.81 22.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 73.25 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 534' ' ' GLN . . . -54.0 -20.8 6.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.51 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 68.3 mtm -84.37 -29.03 26.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 73.44 111.04 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.619 ' CZ3' ' NE2' ' A' ' 544' ' ' GLN . 1.5 t90 -79.08 -55.62 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 72.54 108.018 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 544' ' ' GLN . 27.0 mtp180 -38.95 -37.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 65.12 110.253 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.02 -67.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 75.4 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -55.68 -27.44 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 74.32 110.33 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.619 ' NE2' ' CZ3' ' A' ' 540' ' ' TRP . 74.2 mm-40 -73.68 -25.93 60.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 54.41 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 541' ' ' ARG . 10.3 t70 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.566 1.166 . . . . 75.41 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 8.1 ttt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.53 0.205 . . . . 71.03 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -57.56 -174.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 75.42 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 8.3 t -127.16 40.52 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 71.31 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 3.8 t 71.02 56.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 70.24 110.019 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.3 m -51.53 115.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 74.13 109.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -89.61 177.38 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 74.35 110.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -108.84 148.47 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 65.21 110.282 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.417 ' CG ' ' CE1' ' A' ' 395' ' ' TYR . 1.6 tppp? -104.32 152.37 22.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 73.43 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.55 ' HB3' ' CE3' ' A' ' 540' ' ' TRP . 26.6 p90 -106.44 133.94 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 73.32 111.046 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 21.8 m-85 -136.36 169.08 18.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 72.15 111.02 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.441 ' OD1' ' CE ' ' A' ' 537' ' ' LYS . 1.2 m120 -112.68 -14.07 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 75.01 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 24.6 p90 -174.27 141.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 73.22 110.946 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.471 ' HB ' ' CB ' ' A' ' 445' ' ' ALA . 1.0 OUTLIER -101.74 115.83 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.159 . . . . 74.41 109.326 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.452 ' CD1' HG23 ' A' ' 426' ' ' THR . 76.9 mt -80.19 119.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 72.15 109.278 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.543 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 0.7 OUTLIER -101.85 102.82 13.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.598 1.186 . . . . 74.01 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.551 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 16.4 p80 -134.1 -170.2 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.24 109.583 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -86.61 -162.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.12 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -16.73 18.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 74.12 110.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 17.0 23.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 74.44 109.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.17 27.67 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 64.34 109.26 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.551 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 41.2 tt0 -64.08 -74.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.395 1.059 . . . . 73.24 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 1.8 p80 -37.82 -34.78 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 62.33 109.609 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.462 HD11 ' CB ' ' A' ' 493' ' ' GLU . 24.3 mt -60.58 -56.08 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.23 109.324 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -62.72 -45.84 90.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 75.31 109.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.408 HD21 ' CZ ' ' A' ' 413' ' ' ARG . 13.3 mt -61.43 -21.98 64.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 75.25 109.272 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -81.87 -13.1 58.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.51 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.475 HG23 ' CZ ' ' A' ' 489' ' ' PHE . 6.1 t -96.51 -53.38 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 71.1 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -35.35 -43.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 74.45 110.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 415' ' ' LYS . 66.6 mm-40 -72.28 -61.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 74.43 110.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.51 -52.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 75.51 109.37 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 397' ' ' PHE . 80.5 mt -45.34 -60.12 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.074 . . . . 75.14 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 2.9 mt-10 -36.54 -33.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.55 110.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 416' ' ' LEU . . . -63.2 -55.59 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 74.43 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 524' ' ' VAL . 1.7 mt -64.57 -45.69 85.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 75.12 109.379 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.34 -70.64 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 71.34 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.61 137.77 1.05 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 71.52 109.256 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.0 Cg_endo -74.99 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 72.41 110.956 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.505 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 5.8 p-10 -59.15 -44.53 92.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 74.23 109.266 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.601 ' O ' ' CD1' ' A' ' 395' ' ' TYR . . . 81.14 -94.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.585 1.178 . . . . 73.54 111.041 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 63.33 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.494 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.0 p -152.54 108.02 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 73.42 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.683 ' CD1' ' CD2' ' A' ' 439' ' ' LEU . 1.0 OUTLIER -95.96 93.96 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.43 110.995 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.432 ' SG ' ' NE2' ' A' ' 401' ' ' HIS . 27.3 p -130.61 134.16 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 64.23 108.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -176.46 112.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 73.23 110.308 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.95 71.23 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 71.13 109.352 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -108.71 44.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 64.31 111.036 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 60.16 18.24 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 74.44 110.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 30.0 m -51.09 -179.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 73.44 109.345 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . 0.499 ' CE1' ' HA3' ' A' ' 437' ' ' GLY . 3.6 p80 -93.23 -56.07 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 74.45 109.508 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -179.94 -62.17 0.08 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 64.42 110.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . 0.426 ' O ' ' CD ' ' A' ' 436' ' ' ARG . 0.0 OUTLIER -113.45 59.97 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.425 0.721 . . . . 71.04 110.267 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . 0.499 ' HA3' ' CE1' ' A' ' 434' ' ' HIS . . . -127.85 9.03 6.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.464 1.103 . . . . 72.54 111.085 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -106.67 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 75.31 110.242 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.683 ' CD2' ' CD1' ' A' ' 427' ' ' PHE . 1.6 pp -134.03 179.86 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 74.22 109.241 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 72.0 p -47.68 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 75.34 110.075 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 444' ' ' ASP . 1.7 m -159.25 153.46 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 65.03 108.328 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.503 ' CD1' ' C ' ' A' ' 442' ' ' LEU . 0.2 OUTLIER -64.19 -48.09 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.44 109.344 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER -54.76 -18.75 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 73.02 110.243 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.448 ' O ' ' ND1' ' A' ' 448' ' ' HIS . 15.8 t70 -53.45 -35.57 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 75.42 109.27 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.556 ' HA ' ' CE1' ' A' ' 448' ' ' HIS . . . -75.76 -26.39 57.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 74.44 109.322 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.472 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 mt -77.34 -10.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 72.02 109.332 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.13 -49.35 3.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.31 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.651 ' CD2' ' N ' ' A' ' 449' ' ' SER . 5.5 p-80 -88.32 -53.77 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 64.23 109.633 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.651 ' N ' ' CD2' ' A' ' 448' ' ' HIS . 0.1 OUTLIER -70.77 151.37 44.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 63.15 109.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.11 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 73.35 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 485' ' ' CYS . 19.3 m-30 -120.02 134.43 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 74.41 111.001 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.555 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 16.4 mm -70.99 134.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 74.03 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.633 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 6.1 mt -108.34 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.3 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 6.7 mt -88.89 107.42 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 63.13 109.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.469 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.5 tp -75.33 79.5 2.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 75.23 109.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 4.3 mt -63.59 91.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 74.14 109.294 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.469 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 77.5 p -127.84 150.38 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.063 . . . . 75.51 110.379 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 77.5 p -59.84 -15.38 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 72.52 109.953 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -91.09 -20.61 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 71.34 109.259 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.543 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 79.6 t80 -111.43 172.42 6.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 74.42 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.495 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -125.72 131.29 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.2 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.436 ' O ' ' N ' ' A' ' 464' ' ' LEU . 12.2 t -94.03 -42.42 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.13 108.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 462' ' ' CYS . 42.0 mtp180 -38.61 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.11 110.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -84.64 -71.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 71.34 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -41.53 -59.42 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 75.12 110.02 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 466' ' ' LEU . 1.6 tm? -48.24 -37.92 17.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 70.44 109.301 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.9 OUTLIER -73.54 -31.0 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 62.02 109.541 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.465 ' CB ' HD21 ' A' ' 442' ' ' LEU . 6.5 mt-30 -77.74 -69.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 73.4 110.364 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 5.2 p -41.75 -50.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 74.4 109.326 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.473 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.1 m-80 -43.39 -48.9 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 72.13 109.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -68.63 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 73.42 110.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -66.06 -27.17 67.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.21 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.428 ' CE ' ' SG ' ' A' ' 485' ' ' CYS . 16.2 mtt -72.75 -57.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 74.14 110.988 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -66.47 -8.35 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.1 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -108.47 -1.12 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.52 110.003 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 476' ' ' ASN . 29.5 t-20 -130.46 52.42 2.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 75.54 109.338 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 3.7 mt -96.82 -15.8 21.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 73.4 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.4 t -85.9 1.82 48.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 71.1 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -111.35 -72.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 72.43 110.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 3.5 pt20 -119.4 -36.82 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 72.22 110.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 56.43 55.5 29.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 74.21 110.971 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.0 m -127.76 107.69 20.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 64.54 109.983 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.566 1.824 . . . . 74.34 111.091 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.45 33.61 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 73.33 109.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 451' ' ' PHE . 26.2 p -107.02 34.55 3.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 62.42 108.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.483 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 45.9 t -129.98 136.38 58.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 72.52 109.24 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.483 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 4.7 mm -141.46 101.52 6.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 72.31 109.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.532 1.806 . . . . 75.34 110.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.475 ' CZ ' HG23 ' A' ' 412' ' ' VAL . 6.4 t80 -80.08 158.42 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 73.5 110.971 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.0 101.14 5.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.32 109.361 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.468 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.56 1.821 . . . . 74.23 110.99 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.8 mp -76.78 -27.75 55.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 75.21 109.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.462 ' CB ' HD11 ' A' ' 408' ' ' ILE . 6.6 mm-40 -64.06 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 62.11 110.257 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 16.6 m -118.99 173.08 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 61.33 109.991 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.8 165.27 23.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 74.4 109.948 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . 0.407 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.0 -32.95 4.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 73.1 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.82 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 64.02 109.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.37 -9.61 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.13 110.26 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.417 ' CD1' HG22 ' A' ' 503' ' ' THR . 4.2 mt -97.3 163.0 13.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 71.34 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 50.0 m -66.26 161.32 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 74.12 110.016 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 44.0 t -65.17 -11.18 37.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 42.51 109.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.4 m-20 -81.39 -40.01 24.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 73.44 109.251 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.4 m -41.96 -38.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 72.15 110.418 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.68 89.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.471 1.107 . . . . 62.55 109.248 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 30.5 t -73.98 -18.52 60.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 73.13 109.956 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 58.4 mt -76.22 -35.33 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.15 109.225 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.8 pp -110.42 16.3 21.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 75.32 109.313 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 107.4 6.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 74.44 109.997 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.29 -24.31 7.78 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 70.34 111.077 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.46 -178.81 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 0.718 . . . . 74.43 109.275 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.465 HG12 ' CE ' ' A' ' 523' ' ' LYS . 76.1 t -108.97 99.68 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.21 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 496' ' ' PRO . 4.1 ttm180 -66.89 121.56 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 73.45 110.376 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.46 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 4.4 tp -83.25 153.2 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 72.2 109.364 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 3.4 m-20 -135.88 167.54 21.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 72.4 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -126.33 1.78 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 70.35 110.275 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.7 11.65 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 55.24 109.591 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.0 t -99.25 137.3 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 74.24 110.062 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.75 -2.24 38.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 74.13 110.308 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.47 HD12 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.58 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 71.33 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.29 -35.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.22 110.985 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.99 -47.17 74.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 71.42 109.271 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.446 ' O ' ' ND2' ' A' ' 526' ' ' ASN . 2.0 mpt_? -74.21 -21.53 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 70.13 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.47 ' CD ' HD12 ' A' ' 519' ' ' ILE . 20.7 mmmt -72.99 -42.33 63.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 75.41 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 419' ' ' LEU . 1.0 OUTLIER -77.84 -44.4 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 73.15 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.67 -9.15 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 63.21 109.324 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.4 m-20 -86.72 -49.9 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 70.31 109.378 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 9.9 t -85.15 -54.97 4.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.44 110.368 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.437 ' N ' ' CG2' ' A' ' 527' ' ' THR . 41.9 m-85 -84.03 47.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 75.34 111.041 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 66.0 mttt -54.92 159.36 3.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.066 . . . . 75.14 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.5 Cg_endo -74.96 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 63.2 111.025 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.564 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 7.6 p80 -56.77 -18.1 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 74.31 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 1.3 mpt_? -99.51 -42.0 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 72.54 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.413 HD23 ' CA ' ' A' ' 528' ' ' PHE . 0.3 OUTLIER -55.92 -43.11 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.42 109.328 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 2.6 mt-30 -73.11 -44.81 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 72.43 110.286 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -52.48 -22.07 4.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 73.14 109.336 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -96.85 -24.32 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 74.44 110.288 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 541' ' ' ARG . 33.6 mmtt -83.86 -6.01 59.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 74.23 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.43 109.274 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 8.6 mtm -77.77 -50.86 11.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 74.25 110.989 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.55 ' CE3' ' HB3' ' A' ' 394' ' ' PHE . 10.6 m95 -59.85 -32.83 71.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 75.2 108.077 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 537' ' ' LYS . 4.7 mtp-105 -59.22 -15.64 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 73.21 110.241 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -71.39 -32.26 68.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 72.04 109.299 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 543' ' ' GLU . 16.5 mp0 -91.63 -18.74 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 72.41 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -85.47 -37.17 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 71.35 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 54.35 109.267 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 3.6 mmm . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.522 0.201 . . . . 75.34 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.22 126.72 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 74.41 110.281 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 28.1 t -94.09 15.79 16.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 74.42 110.046 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 4.8 p -130.64 19.38 5.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 70.24 109.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 t -67.14 99.78 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 63.32 110.042 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -176.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 62.31 110.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -90.22 162.28 15.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 74.41 110.256 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -149.47 135.36 18.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 74.23 109.331 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 155.1 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.175 . . . . 74.52 110.993 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 8.2 m-30 -116.29 145.88 42.83 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 74.43 110.928 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.467 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.8 m-80 -111.58 -14.22 13.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 75.03 109.253 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.71 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 3.2 p90 -165.5 147.82 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 73.34 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.548 HG23 ' CD2' ' A' ' 427' ' ' PHE . 1.0 OUTLIER -106.4 114.61 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 74.43 109.322 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 41.3 mt -89.48 101.41 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 74.43 109.276 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.3 mm? -79.81 122.71 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.3 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.5 p80 -157.32 165.14 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 74.31 109.618 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.69 -162.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.15 109.277 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.12 -11.54 21.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 75.15 110.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.52 16.63 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.32 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 457' ' ' THR . 0.3 OUTLIER -123.89 26.44 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 64.5 109.264 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 22.4 tt0 -66.89 -76.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 75.51 110.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.513 ' CE1' HG13 ' A' ' 408' ' ' ILE . 8.5 p-80 -38.34 -31.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 71.13 109.536 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.513 HG13 ' CE1' ' A' ' 407' ' ' HIS . 22.8 mt -63.65 -57.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.31 109.35 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -63.45 -50.43 69.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 74.5 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 410' ' ' LEU . 2.4 mt -49.55 -24.96 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.44 109.379 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -80.35 -33.13 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 72.42 110.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.7 t -74.12 -54.27 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 74.52 109.262 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.465 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 8.5 mtm180 -36.56 -49.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 63.0 110.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 415' ' ' LYS . 95.0 mt-10 -66.53 -59.01 4.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 71.25 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -38.69 -50.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 75.14 109.298 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.686 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 97.0 mt -48.92 -57.3 6.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 74.42 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 416' ' ' LEU . 34.2 mt-10 -38.52 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 63.32 110.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 416' ' ' LEU . . . -66.02 -54.5 25.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.48 1.112 . . . . 74.13 109.358 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 524' ' ' VAL . 1.9 mt -65.91 -45.72 80.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 75.22 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.63 -71.75 0.13 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.444 1.09 . . . . 70.22 110.936 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.71 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.62 137.53 1.08 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 74.03 109.297 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -167.9 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 73.42 111.04 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.503 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -55.11 -45.49 75.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 72.02 109.329 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 83.22 -94.93 1.81 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 71.3 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.76 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 71.52 109.262 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 7.1 p -151.82 142.9 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 72.1 110.393 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.659 ' CE2' ' CD1' ' A' ' 439' ' ' LEU . 3.3 m-30 -116.14 146.16 42.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 74.21 110.953 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 28.4 p -139.25 109.08 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 63.42 108.421 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -41.13 143.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 72.34 110.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -42.8 113.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 61.1 109.332 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.45 75.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 72.23 110.933 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 61.09 14.91 5.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 74.4 110.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 -176.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 74.43 109.232 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 18.2 p80 -57.59 -44.87 85.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 64.41 109.543 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -179.55 -165.85 34.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.58 1.175 . . . . 73.32 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.88 11.3 18.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 0.806 . . . . 63.12 110.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -82.07 6.88 65.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 61.52 110.952 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -65.41 -61.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 75.14 110.352 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 427' ' ' PHE . 2.4 pp -134.01 142.14 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 72.25 109.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.69 -71.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.41 110.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.419 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.6 p -161.85 155.38 21.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 61.53 108.357 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.497 ' C ' ' CD2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -58.4 -34.04 70.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 65.44 109.351 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.462 ' N ' ' CD1' ' A' ' 442' ' ' LEU . 5.1 pt20 -73.9 -14.64 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 72.53 110.361 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 23.3 t70 -60.99 -15.41 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 74.51 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 74.03 109.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.434 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 6.2 mt -56.61 -31.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 74.33 109.368 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.588 ' OD2' ' CE1' ' A' ' 448' ' ' HIS . 4.8 p-10 -96.77 -56.73 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.23 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.588 ' CE1' ' OD2' ' A' ' 447' ' ' ASP . 1.6 m-70 -60.87 -62.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.51 109.591 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 445' ' ' ALA . 1.1 p -71.31 157.68 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 72.41 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.453 ' CB ' HD11 ' A' ' 533' ' ' LEU . . . -71.85 -78.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 73.41 109.255 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 3.2 m-85 -116.38 129.1 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 74.25 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 445' ' ' ALA . 27.4 mm -69.17 129.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 73.55 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.533 HD11 ' CD2' ' A' ' 397' ' ' PHE . 2.9 mt -106.96 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.34 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 489' ' ' PHE . 2.6 mm? -102.93 104.85 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.21 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.483 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 8.6 tp -69.85 86.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 75.41 109.323 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.451 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.8 mt -65.57 92.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 74.44 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.483 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 16.5 p -129.96 145.2 51.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 74.13 110.37 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 82.1 p -56.87 -18.11 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 71.1 109.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -86.31 -25.75 25.28 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 70.24 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 49.3 t80 -107.38 172.59 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 63.44 110.995 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -115.4 141.26 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 74.45 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 463' ' ' ARG . 3.4 m -92.09 -54.85 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 75.22 108.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.3 OUTLIER -38.64 -57.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.21 110.37 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.437 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 1.4 tm? -44.67 -65.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.03 109.313 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.3 OUTLIER -47.0 -62.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 53.31 109.9 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' A' ' 466' ' ' LEU . 0.3 OUTLIER -51.66 -23.08 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 72.43 109.321 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 463' ' ' ARG . 0.2 OUTLIER -86.57 -28.96 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 72.43 109.582 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 465' ' ' SER . 9.0 mt-30 -83.06 -62.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 62.53 110.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.3 p -42.12 -43.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.55 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 471' ' ' GLN . 2.0 m-80 -61.45 -67.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 1.184 . . . . 72.32 109.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.0 mm100 -38.63 -46.46 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 74.33 110.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -61.96 -51.69 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 63.12 109.355 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.464 ' HE2' ' CG2' ' A' ' 486' ' ' VAL . 4.4 mtt -51.5 -68.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.12 111.056 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.46 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.8 OUTLIER -55.59 -17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 74.13 110.934 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 4.4 m -84.49 -27.24 27.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 54.31 109.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 48.7 t30 -137.81 86.88 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 72.14 109.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.46 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.6 mt -111.03 -20.71 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 73.22 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.4 t -77.01 0.8 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 74.1 110.389 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 7.6 mmt85 -103.2 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.32 110.324 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.434 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 3.3 pt20 -116.7 -35.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 75.1 110.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 42.26 54.56 4.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 53.52 110.975 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.4 ' O ' ' SG ' ' A' ' 485' ' ' CYS . 4.7 m -113.13 94.76 31.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.12 109.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.17 8.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.55 1.816 . . . . 70.23 111.042 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.57 26.58 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 65.41 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.446 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 32.0 p -107.01 24.41 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 72.51 108.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 4.4 t -111.12 124.82 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.22 109.365 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 2.0 mm -137.55 94.89 11.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 72.4 109.224 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 100.9 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 74.23 110.993 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 454' ' ' LEU . 6.1 t80 -78.06 168.49 19.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 72.22 110.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.409 ' CD1' ' C ' ' A' ' 490' ' ' LEU . 0.4 OUTLIER -151.31 100.42 2.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 54.2 109.346 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 147.57 34.43 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.405 1.74 . . . . 75.33 111.038 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.4 mp -53.65 -39.18 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 74.41 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.94 -28.6 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.44 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -114.91 177.74 4.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 73.02 110.049 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.39 159.33 42.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 62.03 110.061 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.9 11.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 72.44 110.999 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -68.4 -22.62 64.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 72.4 109.241 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 5.0 mt-30 -77.14 -10.37 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 55.34 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 4.5 mt -96.88 160.29 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 74.41 109.294 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 158.73 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.591 1.182 . . . . 72.14 110.02 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 12.4 t -67.79 -10.14 50.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 61.51 109.944 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 505' ' ' SER . 27.1 m-20 -80.82 -37.34 30.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.379 1.049 . . . . 74.44 109.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.5 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 19.5 m -41.35 -53.31 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 72.14 110.385 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.11 -39.99 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 75.02 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 502' ' ' ASP . 67.2 m -79.07 -27.17 43.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 73.12 110.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 69.7 mt -66.44 -26.45 67.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.483 1.114 . . . . 74.03 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.83 24.77 7.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 73.41 109.292 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -31.73 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 75.2 110.088 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -104.94 -29.38 5.25 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 61.42 110.944 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.451 ' CD1' HG11 ' A' ' 486' ' ' VAL . 18.0 mt -61.85 -178.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 72.34 109.294 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.2 t -119.7 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 75.35 109.323 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.466 ' HD3' ' CD1' ' A' ' 507' ' ' LEU . 12.4 ttp180 -53.68 105.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 75.12 110.281 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 520' ' ' PHE . 5.8 tp -83.55 130.34 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 72.22 109.342 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.54 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 14.6 m-20 -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.519 1.137 . . . . 74.41 109.42 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 19.8 tp10 -114.91 -13.15 11.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.147 . . . . 74.24 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.437 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -97.12 -18.91 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 73.31 109.59 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.83 134.41 46.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 74.03 110.052 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.13 4.06 21.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 64.42 110.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -108.17 -25.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 72.21 109.296 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.0 t80 -40.16 -35.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 74.35 111.049 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.465 ' HB1' ' CD2' ' A' ' 419' ' ' LEU . . . -54.73 -47.35 73.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 72.42 109.265 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.46 -19.0 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 75.22 110.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.443 ' CD ' HD13 ' A' ' 519' ' ' ILE . 18.1 mmmt -75.19 -44.37 46.92 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 63.34 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 419' ' ' LEU . 1.0 OUTLIER -72.78 -40.53 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.51 109.378 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.66 -3.13 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 72.25 109.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -97.77 -33.96 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 75.11 109.296 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.453 HG23 ' CD2' ' A' ' 528' ' ' PHE . 9.7 t -100.99 -54.55 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 75.34 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.465 ' CE2' HD13 ' A' ' 453' ' ' ILE . 52.0 m-85 -84.91 56.76 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 74.32 111.049 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.458 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 38.9 mttt -72.03 154.57 92.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.33 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . 0.449 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.5 Cg_endo -74.92 -10.59 21.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 72.33 110.965 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.56 -12.0 21.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 75.12 109.557 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 536' ' ' ARG . 19.3 mmt180 -97.62 -42.32 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 74.31 110.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.467 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? -47.89 -37.42 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.035 . . . . 74.43 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 5.1 mt-30 -84.48 -46.33 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.33 110.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.431 ' HA ' ' CB ' ' A' ' 538' ' ' ALA . . . -61.3 -15.22 33.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 72.43 109.292 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.452 ' HD3' ' CE ' ' A' ' 539' ' ' MET . 8.8 mmt180 -61.91 -43.14 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 65.44 110.32 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -97.23 -6.15 35.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 75.24 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.431 ' CB ' ' HA ' ' A' ' 535' ' ' ALA . . . -84.9 -25.23 28.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 60.01 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.461 ' CA ' ' HD3' ' A' ' 542' ' ' LYS . 0.9 OUTLIER -78.44 -29.05 46.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 71.2 110.993 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.433 ' O ' ' NE2' ' A' ' 544' ' ' GLN . 10.0 t90 -62.78 -24.61 67.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 73.23 107.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.423 ' NH2' ' CE3' ' A' ' 540' ' ' TRP . 0.0 OUTLIER -71.83 -12.85 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 73.21 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.461 ' HD3' ' CA ' ' A' ' 539' ' ' MET . 29.8 mtpt -64.29 -50.48 67.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 74.12 109.292 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 544' ' ' GLN . 4.7 pt-20 -53.07 -47.95 68.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 63.32 110.245 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 543' ' ' GLU . 2.9 mt-30 -68.92 -34.46 75.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 74.11 110.316 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 64.4 109.325 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.454 0.169 . . . . 70.01 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -87.2 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 73.22 110.36 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.4 t -92.2 15.02 14.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 74.4 110.002 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.8 m -130.33 18.36 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 72.34 109.991 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.0 t -84.6 108.1 17.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.069 . . . . 53.44 110.002 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.34 178.67 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 73.34 110.296 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -151.36 152.24 32.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 65.51 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.72 122.87 29.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 75.53 109.293 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -149.99 168.56 23.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.436 1.085 . . . . 75.11 111.127 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -124.05 147.76 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 74.34 111.002 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.458 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 21.3 m-80 -113.36 -12.84 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 75.24 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.709 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 18.7 p90 -172.16 127.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 74.24 110.989 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.505 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 2.7 p -89.33 107.28 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 70.5 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.41 ' CG2' HD21 ' A' ' 455' ' ' LEU . 77.1 mt -74.22 98.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 72.33 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 1.6 mt -80.88 103.89 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 75.42 109.361 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.2 p80 -136.61 172.45 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 75.53 109.534 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.487 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -66.9 -161.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.372 1.045 . . . . 72.53 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -27.42 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 72.43 110.349 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -95.6 16.84 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 73.43 109.323 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.42 27.69 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 65.2 109.24 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.583 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.0 tt0 -65.59 -75.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 72.44 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 408' ' ' ILE . 9.9 p-80 -38.02 -36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.44 109.622 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.521 HG13 ' CE1' ' A' ' 407' ' ' HIS . 41.8 mt -58.26 -60.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.399 1.062 . . . . 75.42 109.259 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -60.65 -51.87 67.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 70.42 109.341 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.413 ' N ' HD23 ' A' ' 410' ' ' LEU . 2.3 mt -50.32 -27.76 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 75.32 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -78.23 -31.31 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 74.12 110.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -76.27 -55.14 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 71.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.471 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -34.57 -49.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 72.45 110.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 415' ' ' LYS . 68.0 mm-40 -68.15 -58.45 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 70.11 110.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -39.9 -56.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 73.2 109.233 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.571 HD12 ' CZ ' ' A' ' 397' ' ' PHE . 46.0 mt -39.32 -56.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.21 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' LEU . 17.3 mt-10 -36.8 -49.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 75.41 110.415 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -47.72 -48.25 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.13 109.386 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.563 HD13 ' CE2' ' A' ' 520' ' ' PHE . 3.6 mt -71.52 -46.03 60.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 75.21 109.315 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 166.87 -72.57 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 72.42 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.709 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.37 137.02 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.408 0.711 . . . . 74.42 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.01 -169.13 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.53 1.805 . . . . 52.52 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.514 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -53.72 -46.51 70.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 71.1 109.325 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 83.77 -94.34 1.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 54.3 111.044 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.72 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.737 . . . . 73.41 109.4 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.6 p -146.61 168.39 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 55.42 110.356 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.574 ' CE1' ' CD2' ' A' ' 439' ' ' LEU . 11.3 t80 -154.36 140.6 18.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 73.31 111.02 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.01 159.95 16.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 65.45 108.28 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -45.12 169.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 61.14 110.362 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -110.88 20.4 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 73.43 109.3 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 431' ' ' PHE . 67.6 t80 -122.78 18.02 10.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 71.5 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -127.89 -43.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 73.42 110.275 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 12.0 m -75.67 165.61 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.538 1.149 . . . . 75.14 109.39 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . 0.592 ' CE1' ' OE2' ' A' ' 438' ' ' GLU . 6.5 p80 -65.57 -48.77 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.53 109.562 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . 0.439 ' O ' ' NH2' ' A' ' 436' ' ' ARG . . . 77.38 63.0 2.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 71.25 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 435' ' ' GLY . 14.2 mmp_? -116.64 41.1 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 75.11 110.318 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 83.48 63.19 1.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 64.21 111.036 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . 0.592 ' OE2' ' CE1' ' A' ' 434' ' ' HIS . 34.4 mt-10 -93.01 -44.43 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 71.42 110.23 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.574 ' CD2' ' CE1' ' A' ' 427' ' ' PHE . 2.0 pp -133.44 156.59 47.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 63.23 109.312 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 10.3 t -48.87 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 73.45 110.05 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.465 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 1.3 t -159.73 146.85 16.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 70.43 108.323 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.474 ' O ' ' CD2' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -59.52 -38.09 80.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 70.05 109.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 442' ' ' LEU . 33.8 mt-30 -81.09 -5.6 57.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.22 110.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.4 t70 -76.01 -11.7 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 73.24 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.503 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -83.88 -18.69 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 63.14 109.233 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.467 ' CG1' ' SG ' ' A' ' 485' ' ' CYS . 0.8 OUTLIER -76.29 -28.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 73.11 109.329 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.484 ' CB ' ' OE1' ' A' ' 480' ' ' GLN . 0.7 OUTLIER -104.07 -31.15 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 74.02 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 7.6 t60 -91.2 21.34 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 75.15 109.595 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.56 146.83 13.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.24 109.966 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -50.26 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 73.24 109.285 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -127.32 138.4 53.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 73.21 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.465 ' CG2' HG11 ' A' ' 398' ' ' VAL . 21.6 mm -74.74 130.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 70.12 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.586 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 4.3 mt -107.64 110.56 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.169 . . . . 73.23 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.501 ' CD1' ' OG ' ' A' ' 465' ' ' SER . 1.8 mm? -89.48 101.93 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 72.25 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.473 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.5 tp -67.3 81.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 63.1 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 507' ' ' LEU . 9.4 mt -64.16 91.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 74.25 109.377 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.475 HG23 ' CD ' ' A' ' 491' ' ' PRO . 81.6 p -127.88 154.32 45.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 71.04 110.439 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.3 m -62.29 -14.82 43.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 72.24 109.904 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 9.1 m-20 -92.41 -15.46 27.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 75.02 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.571 ' CZ ' ' HB3' ' A' ' 465' ' ' SER . 26.5 t80 -113.25 174.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 73.22 111.043 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 3.0 m-20 -121.09 138.36 54.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.13 109.314 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.6 m -94.0 -48.33 6.3 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 62.11 108.265 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.3 mtt85 -47.05 -24.28 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 75.24 110.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.7 tm? -88.55 -70.44 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 73.44 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.571 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 1.1 p -48.27 -58.56 4.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 64.52 110.02 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.404 ' N ' ' OG ' ' A' ' 465' ' ' SER . 2.5 tm? -51.36 -22.54 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 72.24 109.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -92.97 -26.05 17.72 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.43 1.081 . . . . 74.3 109.571 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 442' ' ' LEU . 4.5 mt-30 -85.47 -10.41 56.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 75.32 110.288 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 7.8 p -99.31 -52.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 73.24 109.377 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.447 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.9 m-80 -48.41 -43.57 34.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 64.24 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 475' ' ' SER . 23.7 mm-40 -69.94 -39.88 75.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 73.11 110.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.46 ' HB2' ' CD1' ' A' ' 446' ' ' ILE . . . -54.87 -19.95 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.14 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.479 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.8 mtt -88.19 -66.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 74.44 110.937 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.7 ptm -61.73 -12.49 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 72.15 110.883 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 20.1 t -95.92 -13.86 23.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.164 . . . . 64.32 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 50.3 t30 -148.9 86.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 72.44 109.26 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 473' ' ' MET . 6.8 mt -110.96 -20.45 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.13 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.8 t -77.28 0.87 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 72.54 110.371 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 4.9 mmm180 -103.34 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 74.31 110.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.484 ' OE1' ' CB ' ' A' ' 447' ' ' ASP . 5.4 pm0 -115.2 -31.63 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.12 110.245 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 50.5 53.93 22.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 73.41 111.02 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 97.3 p -113.21 94.8 32.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 64.02 109.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.98 8.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 74.24 110.973 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.15 43.61 2.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 61.24 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 446' ' ' ILE . 27.0 p -111.12 36.48 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 72.12 108.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.47 ' CG1' HD11 ' A' ' 510' ' ' LEU . 2.3 t -119.69 121.69 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 75.14 109.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.635 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 4.8 mm -131.65 90.04 37.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 74.12 109.261 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.89 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.424 1.749 . . . . 61.41 111.065 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.418 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 6.9 t80 -77.82 168.86 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.43 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.54 98.86 3.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 71.31 109.319 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.475 ' CD ' HG23 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.11 168.42 24.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 71.24 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.475 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 3.4 mp -74.71 -26.13 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.5 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.471 ' CB ' HD13 ' A' ' 408' ' ' ILE . 4.2 mm-40 -63.72 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.34 110.39 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 21.3 m -121.82 178.53 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 74.52 109.96 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.31 163.65 27.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 72.44 110.049 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -31.92 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 74.52 111.022 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.06 69.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 71.24 109.386 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -7.41 51.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 71.54 110.317 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 9.6 mt -98.32 163.19 12.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 72.13 109.304 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.85 159.01 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.02 110.02 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -68.88 -12.73 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 73.13 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -86.69 -36.21 18.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 74.23 109.317 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 2.2 m -43.47 -26.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 71.24 110.454 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -68.38 -48.48 64.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 65.21 109.247 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 502' ' ' ASP . 12.4 t -75.41 -19.19 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 72.12 110.01 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 19.0 mt -76.29 -28.5 57.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 74.43 109.195 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 456' ' ' LEU . 3.9 pp -112.89 15.0 19.87 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.563 1.165 . . . . 71.42 109.258 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.61 98.03 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 73.41 110.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 132.05 -12.72 5.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 72.5 111.016 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.47 HD11 ' CG1' ' A' ' 486' ' ' VAL . 7.8 mt -90.03 171.81 9.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 75.32 109.245 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.1 t -108.05 85.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 72.04 109.3 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -71.36 129.13 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 75.3 110.323 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.635 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -100.73 169.88 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.51 109.329 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -140.8 137.69 33.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.31 109.248 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 11.0 tp10 -93.23 5.62 50.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 63.13 110.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.439 ' NE2' ' OD1' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -127.87 15.56 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 71.43 109.614 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.1 t -104.69 152.42 22.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.02 110.043 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.0 -1.59 48.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 63.42 110.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.99 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 72.31 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CE2' HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -40.61 -33.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 419' ' ' LEU . . . -58.07 -46.8 84.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 62.23 109.386 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.23 -22.75 60.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 75.23 110.365 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.459 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 26.4 mmmt -71.65 -52.49 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.51 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.484 HG11 ' CD1' ' A' ' 419' ' ' LEU . 0.9 OUTLIER -64.7 -38.12 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.643 1.214 . . . . 73.42 109.343 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.15 -2.89 29.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 74.1 109.366 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -102.54 -35.27 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 75.22 109.255 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 1.0 OUTLIER -95.76 -52.89 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 73.43 110.405 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.521 ' N ' ' CG2' ' A' ' 527' ' ' THR . 37.0 m-85 -89.23 41.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 62.43 111.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.567 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 30.6 mttt -40.79 160.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.22 109.226 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 75.2 111.054 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.2 OUTLIER -52.91 -20.9 3.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 71.45 109.614 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.64 -35.55 17.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 75.23 110.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.47 HD21 ' CA ' ' A' ' 528' ' ' PHE . 0.4 OUTLIER -69.23 -52.59 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.55 109.33 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.74 -51.43 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 73.24 110.306 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -55.03 -19.85 7.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 64.44 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.463 ' O ' ' CE ' ' A' ' 539' ' ' MET . 3.4 tpp180 -68.42 -35.38 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 73.11 110.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.548 ' O ' ' CE3' ' A' ' 540' ' ' TRP . 10.8 mmmt -96.93 -23.26 16.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.445 1.09 . . . . 73.1 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 541' ' ' ARG . . . -54.79 -20.46 8.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.25 109.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 66.0 mtm -62.25 -32.31 72.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 70.14 111.033 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.551 ' C ' ' CD1' ' A' ' 540' ' ' TRP . 0.0 OUTLIER -54.17 -22.77 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.12 107.979 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 538' ' ' ALA . 3.5 ptt-85 -64.96 -36.38 84.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 74.03 110.305 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.407 ' HD3' ' NH1' ' A' ' 541' ' ' ARG . 11.7 mmmm -56.55 -45.59 81.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 75.43 109.378 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -33.95 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 51.44 110.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -68.48 -22.8 64.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 71.11 110.285 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.13 109.302 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.468 0.175 . . . . 64.42 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -110.66 87.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 61.25 110.264 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 35.2 m -85.73 10.25 14.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 75.53 109.979 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.6 p -127.5 18.75 6.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 54.21 109.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 5.1 t -155.16 103.96 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 1.189 . . . . 63.14 110.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -90.42 -174.27 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 73.42 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 393' ' ' LYS . 18.6 tm0? -42.97 164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 74.4 110.256 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 393' ' ' LYS . 0.4 OUTLIER -85.28 124.2 31.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 75.04 109.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -159.38 169.34 24.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 72.24 111.008 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -113.51 132.6 55.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 65.45 111.028 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.537 ' ND2' ' CD1' ' A' ' 533' ' ' LEU . 34.0 m-20 -113.78 -11.35 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 65.4 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.701 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 9.8 p90 -173.1 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.22 110.923 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.468 HG12 ' CG2' ' A' ' 452' ' ' ILE . 2.5 p -95.2 113.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.468 1.105 . . . . 74.42 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 68.0 mt -85.47 103.13 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 73.44 109.324 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.0 mt -79.1 129.39 34.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 74.03 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.58 ' CD2' ' HB1' ' A' ' 409' ' ' ALA . 2.1 p80 -166.02 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 64.23 109.624 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.441 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -96.98 155.49 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.13 109.327 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -15.87 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.13 110.283 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -97.06 17.27 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 73.31 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -138.94 22.46 2.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 74.14 109.307 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 20.3 tt0 -65.53 -71.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.32 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 406' ' ' GLU . 16.1 p-80 -37.06 -36.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 72.14 109.572 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.413 HG13 ' CE1' ' A' ' 407' ' ' HIS . 36.2 mt -59.9 -60.94 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 70.22 109.272 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.58 ' HB1' ' CD2' ' A' ' 401' ' ' HIS . . . -58.1 -51.52 69.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 54.1 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.6 mt -48.72 -28.01 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 73.24 109.236 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -77.16 -33.49 56.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 73.12 110.33 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.495 HG23 ' CE1' ' A' ' 489' ' ' PHE . 2.9 t -75.0 -53.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 74.23 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.09 -48.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 73.32 110.254 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 58.2 mt-10 -68.85 -59.78 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.42 110.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -38.44 -55.23 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 71.21 109.276 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.66 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 96.0 mt -41.01 -56.61 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 75.34 109.296 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 7.3 mt-10 -35.78 -42.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 74.24 110.26 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -52.58 -54.44 32.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 72.14 109.282 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.6 mt -65.98 -45.73 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 71.32 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.78 -69.95 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 74.4 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.701 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.34 137.72 0.98 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.448 0.734 . . . . 73.43 109.288 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.396 1.735 . . . . 75.31 110.974 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.496 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.2 p-10 -58.86 -44.68 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 74.31 109.268 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 82.08 -94.56 1.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 64.04 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.11 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.593 0.82 . . . . 61.2 109.226 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 7.3 p -149.47 146.81 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.357 1.036 . . . . 64.42 110.4 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.56 ' CE2' HD21 ' A' ' 439' ' ' LEU . 0.6 OUTLIER -116.4 92.18 3.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 74.02 111.033 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.451 ' HB3' ' CE1' ' A' ' 401' ' ' HIS . 15.6 p -126.18 167.16 15.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 74.2 108.333 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.01 161.91 27.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 75.43 110.282 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -41.71 116.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 75.41 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . 0.594 ' O ' ' CD2' ' A' ' 431' ' ' PHE . 36.3 p90 -109.43 73.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 74.44 111.091 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 64.83 16.68 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 72.51 110.313 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.561 HG11 ' CZ ' ' A' ' 431' ' ' PHE . 18.4 m -90.68 -179.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 63.4 109.252 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 17.8 p80 -56.47 -48.06 77.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.13 109.633 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -160.77 164.55 34.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.606 1.191 . . . . 61.24 110.972 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -0.99 22.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 0.771 . . . . 64.11 110.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -100.94 67.23 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 72.42 111.05 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -98.85 -75.08 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 0.697 . . . . 74.45 110.278 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.56 HD21 ' CE2' ' A' ' 427' ' ' PHE . 0.0 OUTLIER -53.63 -173.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 75.03 109.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 2.6 t -90.12 -70.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 74.11 109.955 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . . . . . . . . . 4.2 m -160.64 -174.15 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 75.44 108.278 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . . . . . . . . . 2.1 pp -86.5 -41.87 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 72.51 109.216 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.455 ' CB ' ' CB ' ' A' ' 472' ' ' ALA . 5.7 pt20 -72.39 -24.09 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 70.22 110.303 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.7 m-20 -61.61 -20.2 63.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 73.42 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.469 ' HB1' ' CD1' ' A' ' 452' ' ' ILE . . . -85.24 -35.37 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 72.01 109.321 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.465 HD12 ' CG2' ' A' ' 469' ' ' VAL . 3.6 mt -62.82 -23.96 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 74.53 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -102.53 -57.72 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 75.14 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 15.8 m170 -64.71 -54.81 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 72.15 109.573 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.418 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -79.99 154.12 28.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 74.45 109.994 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 451' ' ' PHE . . . -65.95 -75.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 74.5 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 5.0 m-85 -124.74 136.89 54.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.24 110.988 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.469 ' CD1' ' HB1' ' A' ' 445' ' ' ALA . 17.7 mm -76.56 131.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.067 . . . . 65.41 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.557 HD13 ' CD2' ' A' ' 397' ' ' PHE . 5.7 mt -107.05 122.3 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 75.12 109.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 2.2 mt -99.99 100.03 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.21 109.248 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.465 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.4 tp -64.85 82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.372 1.045 . . . . 74.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.462 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 8.6 mt -62.24 90.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 75.1 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.47 ' HA ' ' CB ' ' A' ' 494' ' ' SER . 43.3 p -124.43 152.22 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 71.53 110.416 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 34.9 t -61.79 -13.84 27.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 75.32 109.992 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.29 -22.61 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 75.12 109.264 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.2 t80 -102.82 167.49 9.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 62.33 111.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -112.61 133.5 54.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 75.42 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.6 m -78.93 -60.69 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.11 108.24 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 1.7 mmm180 -39.64 -31.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 75.15 110.288 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -65.83 -71.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 72.45 109.328 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 464' ' ' LEU . 6.9 p -39.16 -61.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 73.04 109.976 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.411 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.8 tm? -51.78 -40.06 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 75.24 109.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 464' ' ' LEU . 19.6 t60 -69.69 -24.29 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.21 109.61 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 464' ' ' LEU . 5.7 mt-30 -85.64 -71.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 73.33 110.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 446' ' ' ILE . 13.2 p -40.3 -39.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 73.13 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -51.61 -66.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.44 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 475' ' ' SER . 1.9 mt-30 -42.16 -46.26 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.378 1.049 . . . . 64.2 110.259 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.455 ' CB ' ' CB ' ' A' ' 443' ' ' GLN . . . -58.58 -44.0 89.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.42 109.293 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.487 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 9.5 mtt -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 64.01 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.413 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.9 OUTLIER -66.06 -9.1 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.34 110.98 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 2.9 t -77.86 -52.51 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 65.33 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.439 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 9.6 p-10 -137.63 91.75 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 51.11 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 473' ' ' MET . 16.1 mt -87.82 -40.41 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 72.25 109.295 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.0 t -60.91 -14.13 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 74.53 110.401 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.12 -78.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 63.43 110.349 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -113.93 -30.83 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 73.23 110.263 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 480' ' ' GLN . . . 36.94 51.19 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 63.43 110.975 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.9 m -113.03 94.93 32.38 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 73.31 110.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 0.33 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.668 1.878 . . . . 74.32 110.974 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.88 16.21 21.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 75.51 109.397 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.448 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 24.1 p -94.64 27.35 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.14 108.369 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.448 ' CG2' ' HE2' ' A' ' 473' ' ' MET . 2.3 t -118.92 112.07 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 73.41 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.434 ' CG2' HD22 ' A' ' 513' ' ' LEU . 3.3 mm -127.17 95.81 35.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 72.43 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 102.05 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 63.51 110.975 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.495 ' CE1' HG23 ' A' ' 412' ' ' VAL . 6.8 t80 -78.02 159.72 28.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 71.45 111.019 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -139.37 97.73 8.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 71.54 109.23 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.84 31.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 73.2 110.967 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.449 HD22 ' N ' ' A' ' 516' ' ' HIS . 3.5 mt -58.4 -17.17 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 72.1 109.292 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -71.37 -28.14 63.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 72.51 110.25 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.47 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 15.2 m -122.03 -176.31 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.44 109.933 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.04 163.13 30.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 61.13 109.955 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -30.14 7.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 74.23 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.2 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 64.3 109.331 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -69.52 -10.15 56.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.072 . . . . 75.03 110.324 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 4.8 mt -100.69 167.22 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 74.32 109.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 29.2 m -68.82 159.03 33.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 75.55 110.077 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 42.0 t -69.81 -12.02 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.379 1.05 . . . . 71.33 110.027 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 505' ' ' SER . 11.3 m-20 -82.53 -35.67 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.048 . . . . 73.14 109.245 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.9 m -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 71.54 110.406 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.39 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 53.52 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 502' ' ' ASP . 14.6 t -74.95 -23.0 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.32 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 33.0 mt -69.42 -35.81 76.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 74.2 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.7 pp -110.28 19.41 18.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 72.22 109.327 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.3 t -59.37 103.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 73.04 109.937 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.88 -24.17 10.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.22 110.963 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.415 ' CD1' HG13 ' A' ' 486' ' ' VAL . 40.3 mt -69.22 -175.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 74.3 109.238 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 5.8 t -123.02 106.99 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 74.05 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 9.1 ttp-105 -78.55 132.02 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 74.32 110.252 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 490' ' ' LEU . 0.2 OUTLIER -100.68 146.52 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 75.42 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.1 m-20 -145.61 131.37 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 73.31 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.4 ' OE2' ' CG2' ' A' ' 412' ' ' VAL . 1.1 mt-10 -73.84 -3.4 28.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.03 110.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.482 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 1.3 p-80 -120.88 45.16 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.13 109.508 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t -136.37 126.05 25.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 74.35 109.97 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -74.72 -2.01 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 72.41 110.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.61 -28.37 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.33 109.225 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 0.2 OUTLIER -39.21 -36.83 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.02 111.04 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.34 -47.65 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.11 109.34 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.1 mpt_? -72.32 -23.02 61.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 74.11 110.308 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.443 ' CD ' HD11 ' A' ' 519' ' ' ILE . 23.2 mmmt -70.82 -44.62 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.45 109.294 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 419' ' ' LEU . 2.1 p -76.1 -43.22 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 74.21 109.318 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.421 ' N ' HG12 ' A' ' 524' ' ' VAL . . . -67.83 -9.77 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.42 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.3 m-20 -85.12 -53.8 5.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 72.42 109.25 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.45 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 11.8 t -79.14 -53.7 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 75.41 110.363 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.45 ' N ' ' CG2' ' A' ' 527' ' ' THR . 56.9 m-85 -86.67 59.02 5.39 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.575 1.172 . . . . 74.14 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 56.2 mttt -69.54 153.75 95.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.062 . . . . 51.04 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.98 9.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 75.11 110.986 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.418 ' HA ' ' NE2' ' A' ' 534' ' ' GLN . 1.6 p-80 -71.5 -11.11 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 75.44 109.649 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 536' ' ' ARG . 14.3 mmt180 -101.99 -52.5 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.24 110.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.537 ' CD1' ' ND2' ' A' ' 396' ' ' ASN . 2.5 mm? -42.39 -35.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 73.13 109.325 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.418 ' NE2' ' HA ' ' A' ' 531' ' ' HIS . 3.1 pt20 -84.82 -39.13 18.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.425 1.078 . . . . 72.2 110.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 532' ' ' ARG . . . -71.86 -6.64 43.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 73.05 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 536' ' ' ARG . 7.2 mmm-85 -66.78 -37.26 84.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 75.34 110.331 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 540' ' ' TRP . 37.6 pttt -97.42 -18.4 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 71.44 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -40.55 -34.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.21 109.302 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -70.65 -49.45 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 71.03 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' LYS . 18.0 m0 -44.51 -46.54 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 70.24 107.972 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -38.79 -45.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 74.15 110.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -81.23 -44.84 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 71.43 109.323 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -52.85 -20.47 3.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 74.24 110.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -87.64 -38.59 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 73.24 110.344 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.24 109.337 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.384 0.135 . . . . 63.54 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -63.63 161.1 15.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 74.55 110.298 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.1 m -101.59 45.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 63.13 109.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.9 t 70.26 51.6 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 73.2 109.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 22.7 t -59.28 111.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 70.22 110.043 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -87.67 -171.1 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 74.33 110.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -143.52 156.05 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 74.54 110.253 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -148.41 141.14 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.33 109.243 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.8 153.31 18.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 74.34 110.984 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 17.6 m-85 -132.72 171.07 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 72.14 110.982 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.487 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 2.2 m-80 -122.42 -0.35 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.14 109.225 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 416' ' ' LEU . 9.7 p90 -178.78 166.96 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.21 110.984 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.41 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.5 t -130.35 100.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 71.42 109.266 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 397' ' ' PHE . 68.4 mt -76.58 96.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 73.31 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.564 HD23 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -76.28 116.36 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 65.44 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -146.85 175.01 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.2 109.587 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.459 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.49 -163.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 74.43 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -13.12 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 63.14 110.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 16.71 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.32 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -123.6 30.63 6.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 61.42 109.264 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.3 tt0 -67.07 -76.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 74.11 110.301 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.536 ' CE1' HG13 ' A' ' 408' ' ' ILE . 5.7 p-80 -37.26 -42.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.33 109.622 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.536 HG13 ' CE1' ' A' ' 407' ' ' HIS . 69.7 mt -55.16 -58.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 74.5 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.99 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 75.22 109.251 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -60.21 -15.52 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.24 109.261 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -78.62 -23.96 45.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 71.12 110.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 489' ' ' PHE . 3.8 t -90.1 -53.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 75.24 109.381 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 7.4 mtm180 -35.69 -40.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.567 1.167 . . . . 75.41 110.322 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.97 -53.15 11.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.43 110.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 412' ' ' VAL . 0.4 OUTLIER -53.97 -24.79 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 70.03 109.306 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.574 HD11 ' CZ ' ' A' ' 397' ' ' PHE . 9.0 mt -69.7 -33.87 73.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 72.12 109.34 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.06 -8.12 54.97 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 73.02 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -96.49 -3.11 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 50.05 109.287 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.471 ' CD1' HG11 ' A' ' 524' ' ' VAL . 3.7 mt -118.49 -42.19 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 75.23 109.306 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 166.98 -65.6 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.575 1.172 . . . . 73.12 111.015 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.52 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 1.2 p -52.14 143.04 26.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.386 0.698 . . . . 65.3 109.369 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 72.34 110.994 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.469 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.9 OUTLIER -71.4 -17.04 62.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.15 109.321 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.591 ' O ' ' CD1' ' A' ' 395' ' ' TYR . . . 54.32 -95.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.429 1.08 . . . . 62.11 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.98 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 73.02 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.9 p -151.65 145.19 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 70.53 110.358 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.429 ' CE1' HD23 ' A' ' 439' ' ' LEU . 18.9 t80 -117.62 160.11 21.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 74.21 111.038 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.58 156.16 29.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.41 108.348 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 430' ' ' ASP . 40.5 tt0 -86.58 100.57 12.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 74.33 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 429' ' ' GLU . 0.0 OUTLIER 36.95 75.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 55.5 109.295 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 431' ' ' PHE . 60.6 t80 -111.85 49.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 73.14 110.956 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 57.03 18.32 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 72.21 110.24 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 4.7 m -50.78 179.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 75.15 109.243 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.28 -61.1 1.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.43 109.635 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 113.97 -14.51 21.6 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.663 1.227 . . . . 62.31 111.013 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -122.8 66.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 74.43 110.271 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -163.9 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 62.54 111.045 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.55 -86.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 75.21 110.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.478 ' O ' ' CD1' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -100.74 145.88 27.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 70.52 109.319 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.3 t -86.26 -7.57 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 71.41 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . . . . . . . . . 2.1 t -179.29 156.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 73.01 108.27 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.489 ' CD1' ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -59.85 -33.47 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 73.32 109.321 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 12.8 mt-30 -83.4 -7.96 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.44 110.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.539 ' CG ' ' CD2' ' A' ' 448' ' ' HIS . 7.1 t0 -67.39 -28.51 67.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 73.33 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.447 ' HB1' ' CD1' ' A' ' 452' ' ' ILE . . . -72.79 -5.75 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 72.24 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.546 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 8.6 mt -104.37 -21.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 75.12 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.54 ' OD1' ' CG ' ' A' ' 448' ' ' HIS . 3.8 p-10 -103.66 -12.38 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 73.11 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.54 ' CG ' ' OD1' ' A' ' 447' ' ' ASP . 5.3 m-70 -115.39 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 72.12 109.576 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.453 ' OG ' ' CA ' ' A' ' 397' ' ' PHE . 0.1 OUTLIER -70.92 163.31 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 64.21 109.989 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.515 ' HB2' ' CE1' ' A' ' 451' ' ' PHE . . . -75.68 -76.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 72.33 109.397 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 1.4 m-85 -123.72 136.16 54.28 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.449 1.093 . . . . 74.41 110.978 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.447 ' CD1' ' HB1' ' A' ' 445' ' ' ALA . 2.7 mm -77.17 138.6 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 75.24 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.572 HD13 ' CZ ' ' A' ' 528' ' ' PHE . 5.9 mt -111.93 113.8 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 75.43 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 454' ' ' LEU . 0.7 OUTLIER -92.7 93.03 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 75.11 109.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 489' ' ' PHE . 9.6 tp -63.47 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 73.52 109.242 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.461 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.6 mt -62.34 84.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 75.55 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.47 HG21 ' CG ' ' A' ' 491' ' ' PRO . 37.7 p -123.99 150.83 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 74.3 110.482 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -15.46 36.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 72.35 110.069 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.438 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 50.4 m-20 -89.27 -18.32 27.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 71.41 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 50.7 t80 -115.54 168.97 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 73.45 111.063 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.569 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 5.5 t0 -107.76 130.17 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 53.5 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.92 -53.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 51.11 108.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -38.88 -45.74 1.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.083 . . . . 71.32 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.1 tm? -73.1 -57.88 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 75.51 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.56 ' HB3' ' CE2' ' A' ' 460' ' ' PHE . 6.7 p -38.84 -62.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 73.23 110.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.46 ' N ' ' HG ' ' A' ' 465' ' ' SER . 2.3 tm? -52.32 -39.23 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 65.3 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.0 t60 -58.44 -45.98 87.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 75.45 109.646 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -60.15 -70.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 64.32 110.302 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.427 ' CG2' ' HE3' ' A' ' 473' ' ' MET . 8.7 p -45.01 -40.23 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 74.21 109.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -59.62 -74.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 74.53 109.28 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.3 mm100 -38.26 -47.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 75.41 110.29 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -56.41 -51.92 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 54.11 109.313 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 476' ' ' ASN . 19.9 mtt -54.93 -74.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 74.13 111.01 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.93 -23.59 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.441 1.088 . . . . 73.1 111.065 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 15.0 t -77.92 -37.31 48.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 74.03 110.045 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 473' ' ' MET . 49.6 t30 -137.41 92.73 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 65.12 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 7.0 mt -106.77 -25.66 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 72.44 109.256 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.2 t -61.63 -12.82 17.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 73.43 110.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -99.33 -69.81 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 75.0 110.242 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.546 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 0.0 OUTLIER -91.07 -51.11 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 74.12 110.292 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 51.64 23.66 10.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 72.03 111.008 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.7 m -120.91 102.08 44.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 74.1 110.062 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 0.38 8.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 75.14 111.049 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.94 -4.34 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.604 1.19 . . . . 74.44 109.339 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 29.5 m -62.23 -19.89 63.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.4 108.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 510' ' ' LEU . 39.3 t -74.41 123.51 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 64.24 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 2.5 mm -127.12 93.65 41.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 74.32 109.331 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 74.42 110.975 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 412' ' ' VAL . 6.2 t80 -84.55 158.17 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 73.5 110.966 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -140.66 105.63 6.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 73.55 109.322 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.47 ' CG ' HG21 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 172.24 16.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 71.05 110.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -75.69 -32.22 60.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.41 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.46 -37.67 83.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 72.3 110.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.06 166.11 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 72.24 110.009 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.12 167.11 14.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 45.44 109.964 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.28 3.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.556 1.819 . . . . 74.12 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.76 -27.9 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.21 109.307 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.12 -13.31 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 70.21 110.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.461 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 6.7 mt -93.06 169.87 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 63.04 109.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.2 t -63.3 -175.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 72.44 109.978 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -30.54 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.53 110.033 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 505' ' ' SER . 43.9 m-20 -76.54 -33.37 58.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.214 . . . . 72.44 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.47 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.0 OUTLIER -45.0 -25.95 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 72.55 110.388 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.66 47.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 73.13 109.356 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -78.15 -15.8 58.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 70.12 110.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 86.7 mt -71.59 -28.3 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 71.33 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.0 pp -109.53 9.71 25.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 75.4 109.379 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.0 t -62.65 105.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 71.25 110.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.6 -22.19 12.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 74.2 110.95 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 486' ' ' VAL . 11.1 mt -78.37 -174.37 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 0.713 . . . . 74.11 109.3 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 13.8 t -111.19 92.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 71.23 109.261 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.426 ' NE ' ' OD1' ' A' ' 514' ' ' ASP . 1.1 tmm_? -59.74 102.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.54 110.345 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . . . . . . . . . 6.7 tp -81.84 145.87 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 73.51 109.252 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.7 m-20 -140.38 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.33 109.294 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.406 ' CG ' HD13 ' A' ' 492' ' ' LEU . 9.3 tp10 -111.07 -30.0 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 74.23 110.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.17 21.84 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.4 109.578 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.3 t -106.04 135.37 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 75.31 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.69 -1.44 46.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 72.15 110.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -108.49 -25.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 73.43 109.29 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.2 t80 -40.17 -35.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 73.3 111.012 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.33 76.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 62.52 109.289 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.1 -19.37 60.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 73.5 110.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.434 ' CD ' HD13 ' A' ' 519' ' ' ILE . 28.8 mmmt -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 73.22 109.267 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -73.97 -40.6 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 73.15 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.54 -4.58 34.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 70.1 109.318 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 7.7 m-20 -95.12 -41.37 9.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 64.13 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.6 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 13.2 t -94.3 -53.45 3.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 71.12 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.572 ' CZ ' HD13 ' A' ' 453' ' ' ILE . 65.0 m-85 -88.53 54.94 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.45 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.557 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 23.1 mttt -64.88 153.73 87.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 73.24 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.98 11.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 72.32 110.987 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.652 ' CD2' ' CD ' ' A' ' 532' ' ' ARG . 52.8 p-80 -84.74 -12.86 52.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 74.32 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.652 ' CD ' ' CD2' ' A' ' 531' ' ' HIS . 0.7 OUTLIER -94.05 -19.19 21.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 64.44 110.231 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.487 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 4.3 mm? -82.83 -53.12 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 74.04 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -67.75 -38.16 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 72.11 110.251 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -73.78 -14.27 61.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 64.51 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -58.05 -28.79 64.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 62.31 110.342 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -91.93 -16.51 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 64.32 109.307 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -50.9 -34.88 30.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.3 109.252 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.37 -32.57 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 75.12 110.936 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.74 -23.76 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 75.23 108.006 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -66.52 -27.89 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 72.43 110.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -51.94 -22.6 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.42 109.25 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -60.02 -38.74 83.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 71.53 110.26 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -82.6 -39.62 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 74.25 110.25 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.0 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 65.51 109.374 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 7.2 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.541 0.21 . . . . 70.52 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 387' ' ' GLU . 0.7 OUTLIER -113.23 112.97 24.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 73.14 110.28 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.1 t -105.94 17.43 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 74.24 110.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 58.1 m -130.68 18.53 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 75.01 109.956 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.99 97.6 9.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 70.01 109.991 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -90.9 -178.62 5.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 72.44 110.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -64.55 -174.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 71.13 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -127.95 122.37 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 73.41 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.61 140.74 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 73.22 111.018 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 425' ' ' ALA . 5.5 m-30 -99.43 133.03 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 65.13 111.005 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.514 ' ND2' ' CD ' ' A' ' 422' ' ' PRO . 16.4 m-20 -107.31 -5.48 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 71.11 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 416' ' ' LEU . 5.6 p90 -177.75 156.93 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 75.25 110.932 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.3 OUTLIER -118.71 112.48 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 73.21 109.22 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.544 HD12 ' CE1' ' A' ' 397' ' ' PHE . 76.7 mt -88.66 101.46 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.594 1.184 . . . . 71.14 109.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.593 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -88.4 97.69 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 74.02 109.258 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 14.9 p80 -128.48 165.3 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 74.5 109.647 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.49 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -59.93 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.43 109.307 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -100.22 -9.63 22.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.34 110.309 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.67 17.16 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 72.23 109.227 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.508 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.0 OUTLIER -128.21 36.57 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 73.14 109.318 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 25.6 tt0 -69.82 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 73.23 110.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.455 ' CE1' HG13 ' A' ' 408' ' ' ILE . 3.1 p-80 -38.21 -35.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 74.42 109.608 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 407' ' ' HIS . 75.9 mt -58.06 -55.61 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 71.33 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.83 -48.31 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 70.34 109.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.421 ' N ' HD23 ' A' ' 410' ' ' LEU . 2.2 mt -52.94 -22.26 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 65.53 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -82.71 -29.63 29.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.592 1.183 . . . . 74.42 110.161 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.566 HG21 ' CE2' ' A' ' 489' ' ' PHE . 11.5 t -78.07 -52.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 73.04 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 6.5 mtm180 -37.52 -50.69 1.13 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 72.44 110.201 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 417' ' ' GLU . 81.7 mt-10 -66.73 -52.98 38.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 74.34 110.334 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -29.49 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 74.43 109.351 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 397' ' ' PHE . 64.4 mt -71.49 -37.94 71.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 74.5 109.289 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.2 mt-10 -72.05 -8.17 53.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 74.5 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.78 -6.88 55.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.55 109.333 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.46 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.8 mt -118.76 -44.92 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 74.12 109.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.03 -72.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 73.32 110.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -45.24 141.58 3.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.544 0.791 . . . . 71.34 109.335 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.514 ' CD ' ' ND2' ' A' ' 396' ' ' ASN . 18.6 Cg_endo -74.94 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 75.42 111.061 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.458 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 1.1 p30 -65.92 -19.11 65.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 61.14 109.315 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.51 ' O ' ' CB ' ' A' ' 425' ' ' ALA . . . 60.58 -95.83 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 73.15 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 395' ' ' TYR . . . 163.03 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.786 . . . . 71.22 109.323 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.2 p -152.13 134.15 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 75.11 110.399 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.663 ' CD1' ' CD2' ' A' ' 439' ' ' LEU . 8.6 t80 -109.61 160.44 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 72.35 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' CB ' ' A' ' 432' ' ' GLN . 1.4 t -115.68 144.28 44.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 74.41 108.263 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 73.14 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.79 172.84 15.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 61.42 109.33 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 6.6 t80 42.48 30.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 74.02 110.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . 0.455 ' CB ' ' SG ' ' A' ' 428' ' ' CYS . 30.8 mm-40 -125.98 1.52 7.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 72.12 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.45 -176.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 72.43 109.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -100.39 -36.33 9.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.425 1.078 . . . . 65.21 109.587 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 176.65 -111.62 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.158 . . . . 71.05 111.003 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 14.49 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 74.3 110.272 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -56.86 -26.83 55.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 72.21 111.048 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.99 -83.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.507 0.769 . . . . 74.01 110.302 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.663 ' CD2' ' CD1' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -128.24 134.71 49.03 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 74.35 109.355 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.7 m -76.03 -36.36 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 65.02 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.412 ' N ' HD13 ' A' ' 439' ' ' LEU . 20.6 p -159.07 152.6 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 65.2 108.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -53.8 -34.4 59.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 73.21 109.359 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 5.2 mt-30 -46.23 -27.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 73.23 110.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.3 m-20 -70.74 -41.3 72.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 72.2 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -74.26 -3.64 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 70.22 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.467 ' CD1' ' HB1' ' A' ' 472' ' ' ALA . 4.1 mt -88.79 -39.08 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.41 109.341 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.589 ' OD1' ' CD2' ' A' ' 448' ' ' HIS . 7.9 p30 -104.48 -9.65 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 63.12 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.589 ' CD2' ' OD1' ' A' ' 447' ' ' ASP . 3.9 m170 -115.14 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 73.44 109.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.69 159.85 27.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 65.22 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -66.99 -72.53 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.566 1.166 . . . . 65.13 109.245 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -134.19 136.32 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 74.45 110.987 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.465 HD12 ' CG1' ' A' ' 398' ' ' VAL . 36.1 mm -69.41 128.6 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 70.21 109.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.569 HD13 ' CD1' ' A' ' 397' ' ' PHE . 98.2 mt -107.1 122.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 74.34 109.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' A' ' 454' ' ' LEU . 0.6 OUTLIER -109.06 104.38 13.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 72.12 109.314 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.461 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.1 tp -68.78 79.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.24 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.62 90.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 73.12 109.206 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.468 HG23 ' CG ' ' A' ' 491' ' ' PRO . 11.6 p -126.39 156.33 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 75.42 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.0 t -63.97 -12.19 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 74.11 109.969 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -97.12 -14.8 21.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 73.03 109.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 400' ' ' LEU . 55.6 t80 -115.48 172.66 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 71.33 110.944 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.474 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.8 OUTLIER -114.72 132.07 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 65.33 109.354 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 28.3 p -93.89 -42.4 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 55.43 108.337 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.458 ' CD ' HD12 ' A' ' 506' ' ' LEU . 20.1 mmm-85 -50.21 -35.4 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 75.05 110.388 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 466' ' ' LEU . 2.5 tm? -76.6 -74.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.51 109.257 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.459 ' CB ' HD13 ' A' ' 454' ' ' LEU . 1.0 OUTLIER -38.05 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 74.24 110.006 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' LEU . 9.7 tt -77.79 -54.41 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 75.22 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.573 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 0.6 OUTLIER -51.54 -49.68 61.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 65.51 109.674 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 11.3 mt-30 -58.01 -74.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 74.33 110.23 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 468' ' ' GLN . 3.3 p -39.96 -36.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.43 109.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -63.4 -74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 62.53 109.243 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.573 ' HG3' ' CE1' ' A' ' 467' ' ' HIS . 6.9 mm-40 -39.34 -38.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 75.11 110.269 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.467 ' HB1' ' CD1' ' A' ' 446' ' ' ILE . . . -65.52 -50.41 65.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 74.1 109.203 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 470' ' ' ASN . 1.5 mmt -59.17 -53.14 61.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 74.4 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.465 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.8 OUTLIER -72.3 -3.17 22.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 73.14 111.013 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.6 t -90.18 -34.42 15.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 72.44 110.046 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.447 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 31.3 p-10 -124.65 65.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 74.21 109.383 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 474' ' ' MET . 12.6 mt -72.0 -32.14 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 75.23 109.367 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.2 t -74.44 -2.41 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.53 110.439 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 4.9 mmm180 -95.95 -71.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 72.22 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.538 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.7 pp0? -119.49 -35.22 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.21 110.361 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.538 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 41.59 33.83 1.05 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 73.42 111.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 473' ' ' MET . 2.1 m -110.15 99.65 40.58 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 70.11 109.994 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.55 8.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 34.52 110.916 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -94.67 13.41 24.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 71.33 109.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.65 37.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 62.02 108.37 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.492 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 29.8 t -129.46 141.69 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 71.45 109.373 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 7.3 mm -142.86 97.3 5.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 75.51 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.5 1.789 . . . . 74.32 111.006 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.1 165.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 74.41 111.046 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.1 tm? -149.47 103.14 3.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 71.13 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.468 ' CG ' HG23 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.99 170.26 20.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.452 1.764 . . . . 74.41 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -76.23 -24.94 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 74.33 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.408 ' CB ' ' CD1' ' A' ' 408' ' ' ILE . 42.5 mm-40 -64.02 -35.86 82.08 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.495 1.122 . . . . 75.12 110.286 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 15.6 m -121.48 175.3 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 70.52 110.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.96 166.05 21.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 75.23 110.067 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 512' ' ' ARG . 18.6 Cg_endo -74.94 -34.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 73.12 111.072 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.33 -27.72 68.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 42.24 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.93 -9.32 58.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 73.02 110.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.451 ' CD1' HG23 ' A' ' 503' ' ' THR . 9.2 mt -94.03 161.81 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 74.31 109.361 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 52.2 m -62.64 162.43 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.132 . . . . 65.01 110.02 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 66.6 m -67.41 -9.52 42.48 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.486 1.116 . . . . 71.41 110.029 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.1 OUTLIER -83.73 -33.74 25.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 71.12 109.29 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.455 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 3.4 m -45.25 -31.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 63.11 110.357 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 71.34 109.222 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 502' ' ' ASP . 27.7 t -80.78 -15.37 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 73.13 109.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.458 HD12 ' CD ' ' A' ' 463' ' ' ARG . 69.2 mt -77.22 -36.68 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.14 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.451 ' CD2' ' NH1' ' A' ' 512' ' ' ARG . 2.6 pp -111.36 16.92 20.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 75.32 109.325 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.1 p -64.16 105.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 44.42 109.987 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 112.07 -19.56 22.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 73.41 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.67 -175.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 0.83 . . . . 71.14 109.244 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 40.7 t -115.47 94.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 75.25 109.291 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.451 ' NH1' ' CD2' ' A' ' 507' ' ' LEU . 14.1 tpp180 -53.93 121.88 8.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 74.33 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 490' ' ' LEU . 6.0 tp -109.66 128.18 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.25 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -118.9 167.62 11.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 75.54 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 18.5 tt0 -118.61 5.96 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.51 110.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -121.24 1.4 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 73.31 109.698 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.23 136.87 32.83 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 72.13 109.995 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -78.5 2.0 20.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 72.12 110.294 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.46 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.92 -27.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.24 109.301 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.92 -35.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.24 110.985 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . 0.421 ' CB ' HD21 ' A' ' 419' ' ' LEU . . . -56.5 -47.2 79.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.045 . . . . 72.53 109.298 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.8 mpt_? -73.33 -20.32 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.09 . . . . 72.23 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.46 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.5 mmmt -74.07 -45.52 48.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 74.3 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.46 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.08 -40.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 74.21 109.354 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -72.66 -4.73 32.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.15 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -95.21 -40.23 9.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 75.23 109.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.562 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -94.0 -54.56 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 75.22 110.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.562 ' CD2' HG23 ' A' ' 527' ' ' THR . 62.9 m-85 -85.36 54.57 3.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 71.23 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.459 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 38.6 mttt -67.87 154.36 93.72 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.401 1.063 . . . . 62.21 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.42 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 71.42 110.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.487 ' O ' ' CB ' ' A' ' 535' ' ' ALA . 2.8 p-80 -70.21 -11.74 61.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 62.44 109.605 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 536' ' ' ARG . 30.7 mmm180 -94.98 -43.32 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.21 110.292 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.459 ' CD2' ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? -53.71 -26.3 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 74.45 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -99.76 -47.25 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 73.44 110.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -63.17 -13.61 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 74.33 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 532' ' ' ARG . 7.3 tpt85 -55.38 -31.33 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 74.45 110.343 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -16.89 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 74.14 109.367 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.59 60.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 75.11 109.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.54 ' HE3' ' CZ3' ' A' ' 540' ' ' TRP . 7.2 ptt? -99.15 -34.65 10.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 70.12 110.942 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.54 ' CZ3' ' HE3' ' A' ' 539' ' ' MET . 0.1 OUTLIER -51.96 -25.06 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 74.42 108.058 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 542' ' ' LYS . 7.9 ptm180 -62.63 -39.42 93.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 74.42 110.278 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 545' ' ' ASP . 12.0 mmmm -52.98 -45.14 67.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.21 109.293 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -45.71 -26.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 72.35 110.325 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.34 -38.7 23.86 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.573 1.171 . . . . 72.24 110.324 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 542' ' ' LYS . 9.5 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 74.24 109.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.2 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.452 0.167 . . . . 64.3 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -80.91 -174.66 4.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 73.33 110.293 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 m -117.01 49.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 63.13 110.069 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 27.1 t 67.17 44.04 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 75.21 109.998 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.0 t -59.59 166.98 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 72.13 110.017 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.5 177.1 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 71.34 110.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -114.31 147.32 39.28 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.402 1.064 . . . . 64.41 110.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 394' ' ' PHE . 5.2 tppp? -127.15 155.26 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.23 109.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 394' ' ' PHE . 0.3 OUTLIER -97.78 107.62 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 74.04 111.003 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -138.3 162.23 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 75.41 111.048 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.432 ' N ' ' OD1' ' A' ' 396' ' ' ASN . 0.1 OUTLIER -113.12 -31.38 6.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 74.03 109.353 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.638 ' CZ ' ' CD1' ' A' ' 416' ' ' LEU . 4.2 p90 -160.34 142.6 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 64.11 111.031 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.684 ' CG2' ' CD1' ' A' ' 427' ' ' PHE . 3.6 p -110.33 102.34 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.45 109.364 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.537 HG13 ' CE1' ' A' ' 397' ' ' PHE . 70.0 mt -70.29 96.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 74.31 109.269 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.525 ' CD1' ' CD1' ' A' ' 442' ' ' LEU . 9.0 mt -78.48 109.44 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 71.52 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 22.2 p80 -135.97 -173.05 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 72.33 109.598 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.451 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -81.62 -159.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 74.12 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -98.84 -19.53 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 72.44 110.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.01 16.6 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 74.22 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.427 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.2 OUTLIER -120.76 29.94 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 72.43 109.252 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 17.9 tt0 -72.41 -76.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.41 110.277 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.542 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.2 p-80 -39.09 -36.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 74.35 109.544 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.542 HG13 ' CE1' ' A' ' 407' ' ' HIS . 54.1 mt -58.11 -53.83 40.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 70.24 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.24 -39.72 93.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.51 1.131 . . . . 72.12 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.415 ' N ' HD23 ' A' ' 410' ' ' LEU . 2.9 mt -59.17 -27.56 65.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 74.34 109.326 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.6 ttp-105 -81.42 -14.61 56.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.52 110.278 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.457 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -90.47 -52.66 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 74.25 109.322 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 6.9 mtm180 -38.22 -54.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 73.21 110.358 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 415' ' ' LYS . 7.8 mt-10 -60.25 -59.25 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 71.24 110.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.482 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 53.42 109.273 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.638 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 79.1 mt -47.46 -61.29 1.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 75.33 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -38.42 -29.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 74.52 110.273 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . 0.482 ' CB ' ' O ' ' A' ' 415' ' ' LYS . . . -64.47 -54.38 33.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 65.13 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.0 OUTLIER -68.28 -45.68 72.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 74.24 109.376 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.15 -70.02 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 64.53 111.033 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.7 OUTLIER -39.63 142.61 0.62 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.531 0.783 . . . . 71.1 109.3 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 75.21 111.019 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.473 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.3 OUTLIER -68.85 -22.23 64.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 74.21 109.268 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.533 ' HA3' ' CE2' ' A' ' 397' ' ' PHE . . . 60.47 -94.92 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.559 1.162 . . . . 72.31 110.998 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.4 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 72.22 109.244 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.0 p -153.0 143.71 22.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 74.31 110.414 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.684 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 2.4 m-30 -117.67 112.74 20.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 74.51 110.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.432 ' SG ' ' CE1' ' A' ' 401' ' ' HIS . 56.6 m -84.61 118.65 24.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.22 108.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -53.84 138.21 36.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.152 . . . . 63.13 110.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -120.05 162.19 19.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 72.11 109.334 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -95.1 53.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 73.33 110.953 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 62.63 32.94 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 73.53 110.298 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 20.0 m -55.54 -172.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.33 109.351 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -42.44 -50.73 5.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 71.24 109.65 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.55 -13.82 66.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 44.11 110.95 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.19 61.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 70.11 110.323 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -167.67 -42.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 71.31 111.037 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.9 -72.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 71.53 110.254 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.571 HD23 ' CD2' ' A' ' 427' ' ' PHE . 3.2 pp -144.37 -173.94 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 54.51 109.236 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 58.0 m -91.15 -65.24 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 70.23 109.969 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.531 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 4.6 t -167.33 149.66 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 72.25 108.266 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.525 ' CD1' ' CD1' ' A' ' 400' ' ' LEU . 0.1 OUTLIER -53.87 -52.51 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 74.34 109.395 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.418 ' N ' HD23 ' A' ' 442' ' ' LEU . 1.6 pt20 -64.0 -11.22 26.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 73.5 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 1.4 t70 -75.24 -3.11 31.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 75.45 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.562 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -102.18 -45.17 5.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 43.11 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.439 HD12 ' CG2' ' A' ' 469' ' ' VAL . 1.7 tt -55.91 -18.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 74.25 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -82.7 -40.79 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.45 109.224 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 1.1 p-80 -123.67 49.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 74.24 109.556 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 4.3 t -157.89 122.82 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 73.44 110.001 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.565 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -40.16 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 63.42 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.565 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 2.1 m-85 -127.76 125.58 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 70.54 110.982 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.476 ' CG2' HG11 ' A' ' 398' ' ' VAL . 13.4 mm -71.95 129.58 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 74.41 109.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.518 HD11 ' CG ' ' A' ' 397' ' ' PHE . 20.1 mt -100.72 140.0 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.01 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.462 ' CD2' HD11 ' A' ' 400' ' ' LEU . 11.6 mt -117.67 104.31 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 74.23 109.218 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.478 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.4 tp -69.72 91.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.13 109.274 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.422 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 6.1 mt -73.49 94.54 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 71.41 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.478 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 15.7 p -133.63 152.73 51.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 74.53 110.422 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 29.8 t -61.43 -14.71 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 74.5 109.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -90.16 -18.62 25.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 73.51 109.357 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 81.6 t80 -114.34 172.97 6.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 64.45 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.505 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 25.4 t0 -126.02 131.08 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 75.25 109.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 464' ' ' LEU . 5.1 t -93.95 -44.23 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 70.24 108.352 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.422 ' NH2' ' CG ' ' A' ' 502' ' ' ASP . 7.3 mmt180 -38.79 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 73.21 110.309 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -86.04 -69.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 73.23 109.319 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 468' ' ' GLN . 3.9 p -40.78 -61.28 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 51.44 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.444 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 3.2 tm? -49.31 -37.9 25.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.52 109.281 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.6 OUTLIER -72.27 -28.56 63.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.43 109.565 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.467 ' HB3' ' CD2' ' A' ' 442' ' ' LEU . 18.2 mt-30 -81.11 -69.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 72.11 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 5.5 p -40.38 -50.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 75.25 109.266 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.468 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.2 m-80 -42.65 -55.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.609 1.193 . . . . 75.11 109.321 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.89 -31.25 71.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 73.3 110.233 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.403 ' HB3' ' CB ' ' A' ' 443' ' ' GLN . . . -62.81 -17.59 61.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 70.22 109.311 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.462 ' CE ' HG22 ' A' ' 486' ' ' VAL . 7.7 mtt -90.32 -52.15 5.07 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.473 1.108 . . . . 72.53 111.034 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -8.27 30.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 73.3 110.991 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -106.17 -21.83 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.23 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.404 ' ND2' ' HB3' ' A' ' 479' ' ' ARG . 28.2 t-20 -112.29 56.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 73.33 109.218 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 4.1 mt -95.36 -18.09 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 75.05 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.3 t -82.73 3.07 30.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 62.33 110.398 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 447' ' ' ASP . 10.2 tpt180 -112.56 -72.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 72.04 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -119.3 -36.71 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 74.21 110.338 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 56.24 49.78 66.12 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.47 1.106 . . . . 61.42 110.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SG ' ' A' ' 485' ' ' CYS . 9.7 m -117.29 103.17 51.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.578 0.81 . . . . 75.35 109.97 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 1.16 8.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.434 1.755 . . . . 71.44 111.056 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -109.2 42.47 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 71.33 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.422 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 27.7 p -118.29 37.19 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 71.34 108.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 43.6 t -125.39 134.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 73.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 3.6 mm -139.98 96.74 8.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 73.04 109.374 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 102.53 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 73.41 111.007 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 5.4 t80 -77.89 169.58 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.415 1.072 . . . . 74.11 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.461 HD11 ' CD ' ' A' ' 496' ' ' PRO . 2.5 tt -156.93 104.26 1.93 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 62.33 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 171.59 18.0 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.465 1.771 . . . . 71.23 110.98 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.5 mp -77.86 -22.59 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.43 109.263 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.15 -40.28 97.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 64.33 110.337 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.424 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 4.1 m -109.72 -178.63 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 74.52 110.023 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.8 165.42 21.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 73.51 109.996 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . 0.461 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -74.91 -31.39 6.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.373 1.723 . . . . 73.12 111.018 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.83 67.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 75.3 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.98 -9.16 58.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 52.4 110.302 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 3.2 mt -97.87 164.14 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 74.33 109.249 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 66.7 m -66.45 158.65 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 73.33 110.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.8 m -67.15 -9.57 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 72.22 109.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 5.0 m-20 -80.96 -37.35 29.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 63.14 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.489 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 20.0 m -41.21 -52.61 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 73.05 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.3 13.98 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 75.44 109.361 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.3 t -78.04 -27.28 48.71 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 54.43 109.989 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 60.4 mt -67.27 -29.7 69.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 74.41 109.304 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.03 27.12 7.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 72.41 109.291 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 61.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 74.32 109.997 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 162.8 -30.17 0.27 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 63.42 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 15.2 mt -73.07 -173.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 74.02 109.291 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.0 t -118.19 99.06 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 75.1 109.311 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 512' ' ' ARG . 8.9 ttp-105 -67.58 121.04 15.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 72.34 110.35 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.497 ' HB3' ' CD2' ' A' ' 489' ' ' PHE . 1.2 mp -85.73 130.86 34.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 71.51 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -129.38 138.92 51.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 73.4 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.6 tp10 -84.95 -21.46 29.57 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.115 . . . . 74.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.45 ' H ' ' CD2' ' A' ' 516' ' ' HIS . 0.3 OUTLIER -97.38 12.66 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 70.32 109.643 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -97.52 139.14 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 62.22 110.001 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -5.45 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 73.11 110.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.47 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.75 -26.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 73.34 109.339 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.3 OUTLIER -39.7 -36.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 73.04 110.995 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.29 -47.38 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 74.41 109.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 519' ' ' ILE . 3.7 mpt_? -74.13 -19.07 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 74.42 110.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.47 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.1 mmmt -76.39 -41.46 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 73.53 109.246 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.1 p -77.17 -39.35 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 74.11 109.421 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -74.92 -3.3 31.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 62.32 109.294 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.14 -37.7 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 70.2 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.1 t -93.92 -53.8 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 74.21 110.412 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 397' ' ' PHE . 34.2 m-85 -87.62 51.19 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.22 111.055 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 26.7 mttt -63.36 154.87 77.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 62.44 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.58 5.3 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.448 1.762 . . . . 65.03 110.979 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.419 ' HA ' ' NE2' ' A' ' 534' ' ' GLN . 2.9 p-80 -73.7 -6.94 49.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 73.14 109.591 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 49.5 mmm-85 -100.14 -41.92 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.195 . . . . 74.52 110.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.422 ' N ' HD21 ' A' ' 533' ' ' LEU . 2.2 mt -67.2 -55.9 12.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 75.23 109.266 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 538' ' ' ALA . 3.5 pt20 -55.29 -40.46 71.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 73.55 110.354 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -74.22 -25.86 59.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 65.44 109.312 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.44 ' O ' ' CE ' ' A' ' 539' ' ' MET . 7.7 mmm180 -71.71 -41.01 69.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 75.51 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 539' ' ' MET . 15.3 pttt -97.92 -5.97 33.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 74.33 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 534' ' ' GLN . . . -45.43 -26.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 73.32 109.244 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.44 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 37.6 mtm -64.6 -43.28 94.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 65.22 111.038 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -81.17 -20.29 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.902 -1.148 . . . . 74.22 107.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.445 ' C ' ' N ' ' A' ' 543' ' ' GLU . 33.3 mtp85 -71.47 -30.26 65.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 75.4 110.231 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -40.54 -29.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.51 109.263 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 541' ' ' ARG . 28.5 mm-40 -56.32 -49.81 73.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 63.12 110.332 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 541' ' ' ARG . 10.0 mm-40 -82.89 -35.41 26.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 72.44 110.252 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 73.0 109.328 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 6.6 ptt? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.587 0.232 . . . . 73.44 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.63 131.2 48.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.057 . . . . 73.33 110.309 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 p -103.75 9.35 37.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 74.14 109.981 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.8 t 174.66 83.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 73.15 109.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.6 t -48.68 174.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 71.44 109.969 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.93 179.83 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 75.15 110.3 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . 0.439 ' O ' ' CE1' ' A' ' 394' ' ' PHE . 20.1 tp60 -108.7 148.0 31.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 75.31 110.219 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.74 149.66 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 72.25 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' A' ' 392' ' ' GLN . 7.6 m-85 -125.84 160.83 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 75.35 111.003 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -97.74 157.53 16.01 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.441 1.088 . . . . 74.1 110.933 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 396' ' ' ASN . 0.0 OUTLIER -112.28 -27.63 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.22 109.345 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.633 ' CD2' ' CD1' ' A' ' 453' ' ' ILE . 34.2 p90 -173.26 137.79 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 72.5 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.459 HG12 ' CG2' ' A' ' 452' ' ' ILE . 0.5 OUTLIER -103.95 119.21 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.12 109.33 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.465 ' CG2' HD21 ' A' ' 455' ' ' LEU . 30.1 mt -79.69 137.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 70.33 109.304 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 10.9 mt -111.59 99.75 8.43 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.459 1.1 . . . . 75.13 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.538 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.4 p80 -141.42 168.7 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 72.32 109.588 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.461 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -72.37 -159.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 64.04 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -98.96 -11.38 21.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 75.23 110.176 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.7 16.75 24.1 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.589 1.181 . . . . 71.13 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.06 25.39 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 70.15 109.376 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.538 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.2 tt0 -64.81 -76.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.465 1.103 . . . . 63.04 110.319 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.433 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.3 p-80 -38.06 -32.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 72.24 109.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 406' ' ' GLU . 35.5 mt -63.03 -57.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 75.31 109.248 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -62.77 -50.25 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 71.42 109.257 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.5 mt -49.13 -29.8 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 72.23 109.405 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -77.03 -31.58 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 73.03 110.285 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.9 t -73.78 -53.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 72.13 109.366 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.2 mtm180 -38.17 -52.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 75.04 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 417' ' ' GLU . 27.7 mt-10 -66.05 -51.78 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 74.33 110.308 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -31.83 5.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 63.34 109.285 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.591 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 44.7 mt -73.25 -37.54 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 61.24 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.4 mt-10 -65.93 -8.7 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 75.42 110.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -95.78 -2.55 47.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 65.31 109.279 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 524' ' ' VAL . 2.7 mt -118.24 -44.37 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 71.54 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.58 -74.97 0.08 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.589 1.181 . . . . 71.35 110.99 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -46.72 140.4 5.96 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.586 0.815 . . . . 74.54 109.33 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 54.3 111.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.75 -45.46 74.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 72.24 109.257 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 82.54 -96.47 1.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 53.11 111.052 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 179.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 65.24 109.328 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 6.4 p -151.57 109.97 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 74.45 110.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.703 ' CD1' ' CD2' ' A' ' 439' ' ' LEU . 2.0 t80 -99.91 130.19 46.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 72.23 111.083 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 14.2 p -108.29 137.73 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 71.34 108.344 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.45 149.23 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 74.01 110.292 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -76.17 75.91 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 75.14 109.219 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -112.98 -25.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 74.41 111.092 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.15 -37.33 7.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 74.43 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.42 -176.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 75.31 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -100.0 -34.87 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 74.42 109.604 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.44 73.77 1.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 43.31 111.037 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 54.1 mmt-85 -130.03 57.39 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 74.11 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 137.73 -12.36 3.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.41 1.069 . . . . 63.24 111.032 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -68.39 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 73.31 110.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.703 ' CD2' ' CD1' ' A' ' 427' ' ' PHE . 1.3 pp -132.88 176.46 8.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 73.42 109.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' SER . . . . . 0.448 ' CB ' ' CG ' ' A' ' 444' ' ' ASP . 75.4 m -76.98 -73.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 53.43 110.008 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 1.5 m -162.08 166.08 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 72.33 108.282 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.421 ' CD1' ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -67.13 -35.85 80.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.2 109.269 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.406 ' CB ' ' HB2' ' A' ' 472' ' ' ALA . 11.3 pt20 -86.78 -5.74 59.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 65.53 110.367 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.448 ' CG ' ' CB ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -73.89 -5.13 39.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.574 1.171 . . . . 75.53 109.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -102.92 -31.46 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 74.24 109.301 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -71.97 -19.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 74.23 109.23 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 448' ' ' HIS . 4.6 p-10 -103.44 -48.62 3.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 75.12 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' A' ' 447' ' ' ASP . 5.9 t-160 -75.74 -55.67 5.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 72.22 109.551 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -72.26 150.29 43.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 75.0 109.997 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.429 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -59.23 -75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 72.11 109.344 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.429 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 19.4 m-85 -127.18 132.41 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.443 1.09 . . . . 74.44 110.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 445' ' ' ALA . 21.4 mm -74.6 131.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 74.15 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.633 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 4.7 mt -103.97 120.14 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.2 109.223 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.485 ' N ' ' CD2' ' A' ' 454' ' ' LEU . 1.5 mt -96.03 92.94 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 74.45 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.465 HD21 ' CG2' ' A' ' 399' ' ' ILE . 11.2 tp -63.45 79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 73.31 109.277 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 454' ' ' LEU . 12.5 mt -64.56 95.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 73.22 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.481 HG22 ' CG ' ' A' ' 491' ' ' PRO . 76.5 p -131.67 148.94 52.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 62.41 110.368 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.0 p -56.14 -19.04 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.12 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.0 -25.06 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.395 1.06 . . . . 64.41 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.6 t80 -103.01 166.47 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.42 110.973 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 5.9 t0 -111.79 135.02 52.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 73.21 109.266 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.474 ' O ' ' CD1' ' A' ' 466' ' ' LEU . 3.2 m -93.9 -51.44 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 62.22 108.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' CYS . 34.5 mtp180 -37.4 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 74.34 110.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 462' ' ' CYS . 2.3 tm? -92.94 -52.17 4.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 75.21 109.274 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' SER . . . . . . . . . . . . . 1.2 t -40.34 -51.75 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 71.1 110.016 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 462' ' ' CYS . 3.5 mp -71.33 -55.16 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 75.13 109.16 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -45.04 -26.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 72.42 109.591 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.438 ' CD ' ' CD1' ' A' ' 464' ' ' LEU . 73.8 mt-30 -79.92 -74.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 55.15 110.266 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.477 ' CG2' ' N ' ' A' ' 470' ' ' ASN . 3.9 m -40.18 -51.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 74.22 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.477 ' N ' ' CG2' ' A' ' 469' ' ' VAL . 1.9 m-80 -40.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 53.11 109.32 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 27.6 mm-40 -47.74 -47.48 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 74.43 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.406 ' HB2' ' CB ' ' A' ' 443' ' ' GLN . . . -49.96 -47.1 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 65.42 109.267 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.532 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 18.2 mtt -58.15 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 75.1 110.962 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.469 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.7 -16.72 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 71.53 110.979 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 23.5 m -82.71 -27.98 30.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 60.32 110.013 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.584 ' ND2' HE22 ' A' ' 480' ' ' GLN . 13.2 t-20 -142.3 91.72 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 74.12 109.351 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 473' ' ' MET . 5.9 mt -114.2 -16.79 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 75.24 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 479' ' ' ARG . 0.7 OUTLIER -74.69 -3.2 29.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 74.35 110.367 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.52 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 8.5 mmp_? -107.23 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.13 110.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.584 HE22 ' ND2' ' A' ' 476' ' ' ASN . 7.7 pm0 -116.34 -35.86 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 74.3 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.463 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 41.07 51.43 4.23 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.503 1.127 . . . . 73.41 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.39 99.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.796 . . . . 61.43 110.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.416 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -75.05 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.569 1.826 . . . . 64.2 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.21 22.55 14.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 62.44 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.5 m -95.21 32.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.12 108.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.532 ' CG2' ' CE ' ' A' ' 473' ' ' MET . 3.1 t -119.64 113.17 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 71.35 109.211 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.459 HG23 ' CD2' ' A' ' 513' ' ' LEU . 2.1 mm -119.88 93.2 47.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 72.21 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 106.63 2.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.47 1.774 . . . . 73.23 110.965 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 4.1 t80 -83.64 165.09 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 75.22 110.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -145.32 97.52 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 72.11 109.276 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.481 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -75.06 159.93 40.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 65.21 110.985 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.442 HD22 ' ND1' ' A' ' 516' ' ' HIS . 1.6 mt -69.86 -10.08 57.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 74.04 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -80.64 -26.29 37.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 63.35 110.282 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 15.8 m -124.43 178.8 5.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.16 . . . . 74.43 110.002 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 165.31 19.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 72.35 109.992 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.4 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 75.34 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.18 -24.13 67.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 73.11 109.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 1.1 mt-30 -74.9 -9.64 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 74.52 110.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.47 163.3 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 64.45 109.369 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.1 m -64.77 152.11 43.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 73.14 109.998 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.8 t -62.63 -13.33 30.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 64.15 110.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 505' ' ' SER . 40.2 m-20 -84.86 -35.43 22.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.623 1.202 . . . . 62.11 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.484 ' O ' ' CD1' ' A' ' 507' ' ' LEU . 28.5 m -42.84 -48.66 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.52 110.372 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . 0.434 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -51.63 -39.08 57.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 74.21 109.356 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 502' ' ' ASP . 15.5 t -80.89 -22.87 39.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 75.14 109.943 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 86.0 mt -69.2 -40.73 77.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 71.32 109.278 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.11 25.8 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.057 . . . . 73.21 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.3 OUTLIER -56.92 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.566 1.166 . . . . 74.52 110.059 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 116.58 -45.8 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 53.22 110.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 44.2 mt -40.65 131.99 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 71.21 109.307 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.431 ' CG1' ' HB3' ' A' ' 523' ' ' LYS . 3.4 t -61.46 90.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 75.25 109.341 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 8.7 ttp-105 -66.32 126.29 28.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.01 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.485 ' HG ' ' CD1' ' A' ' 520' ' ' PHE . 0.5 OUTLIER -92.87 140.56 29.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 73.41 109.291 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.563 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.6 m-20 -142.85 148.46 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 74.41 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -84.58 -30.55 24.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 74.35 110.322 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.512 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -85.94 5.47 32.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.387 1.054 . . . . 65.13 109.544 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 7.1 t -94.67 118.96 32.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.635 1.21 . . . . 64.4 109.914 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -74.92 -1.95 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 74.54 110.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.461 HD13 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -110.07 -27.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 75.51 109.386 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.4 t80 -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.113 . . . . 75.35 110.98 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.8 81.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 74.52 109.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.6 mpt_? -73.36 -23.78 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.25 110.326 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.461 ' CD ' HD13 ' A' ' 519' ' ' ILE . 22.2 mmmt -70.94 -45.21 64.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 75.53 109.335 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.475 HG21 ' CD2' ' A' ' 416' ' ' LEU . 1.4 p -75.87 -43.01 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 71.14 109.252 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -68.95 -9.03 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.4 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -87.25 -53.15 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.2 109.238 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 9.0 t -77.21 -53.25 7.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 75.45 110.406 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 397' ' ' PHE . 49.3 m-85 -88.18 54.87 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 73.13 110.894 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.457 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 29.0 mttm -63.37 158.81 54.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.31 109.335 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -36.36 2.6 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.549 1.815 . . . . 74.03 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.42 ' HA ' ' NE2' ' A' ' 534' ' ' GLN . 7.4 p-80 -78.59 -1.64 35.09 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.552 1.158 . . . . 55.52 109.62 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 536' ' ' ARG . 11.2 mmm180 -97.54 -43.29 7.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 75.4 110.209 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.457 ' CD2' ' O ' ' A' ' 529' ' ' LYS . 3.9 mm? -62.71 -57.56 10.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 71.52 109.345 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.421 ' O ' ' NZ ' ' A' ' 537' ' ' LYS . 4.3 pt20 -56.59 -40.62 75.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.371 1.045 . . . . 74.41 110.287 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -77.43 -15.66 59.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.43 109.245 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 532' ' ' ARG . 9.1 mmm180 -87.56 -22.32 24.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.33 110.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.542 ' HA ' ' CE3' ' A' ' 540' ' ' TRP . 3.2 pttm -90.57 -16.12 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 72.03 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -60.91 -21.71 63.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.395 1.059 . . . . 73.34 109.244 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 50.8 mtm -99.56 -18.4 17.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 75.13 111.031 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.542 ' CE3' ' HA ' ' A' ' 537' ' ' LYS . 44.6 m0 -76.32 -24.1 54.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 74.12 107.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -72.29 -25.75 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 71.44 110.354 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -59.14 -54.17 50.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 73.14 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -54.68 -21.92 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 71.54 110.311 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -80.33 -38.62 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 65.11 110.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 73.54 109.22 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.533 0.206 . . . . 74.0 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -151.21 -174.21 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 74.43 110.258 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.4 t -81.79 2.85 28.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.369 1.043 . . . . 74.2 109.911 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 25.9 p -132.81 18.86 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.35 110.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 26.0 p -100.71 90.56 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 70.11 109.988 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.82 -179.02 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 74.3 110.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 393' ' ' LYS . 5.4 tp60 -119.37 145.4 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.35 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 392' ' ' GLN . 15.6 ttpp -40.46 154.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 74.44 109.336 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -91.04 107.24 19.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 74.13 111.004 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -95.21 135.4 36.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 62.11 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.418 ' ND2' HD11 ' A' ' 533' ' ' LEU . 4.8 t-20 -113.61 -11.28 13.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.451 1.094 . . . . 70.22 109.286 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.705 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 7.6 p90 -174.85 147.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 71.13 110.988 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . . . . . . . . . 2.4 t -112.89 108.88 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.23 109.28 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 47.3 mt -73.42 91.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 72.41 109.316 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.531 HD12 ' CE1' ' A' ' 460' ' ' PHE . 0.3 OUTLIER -76.01 99.49 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.44 109.203 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.478 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 20.0 p80 -132.19 -167.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 75.5 109.575 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 459' ' ' ASN . . . -85.05 -166.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 73.04 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.5 -9.69 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 73.31 110.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.52 16.87 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 74.3 109.244 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.422 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -127.26 29.24 5.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 55.33 109.249 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 407' ' ' HIS . 27.9 tt0 -62.68 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.11 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.533 ' CE1' HG13 ' A' ' 408' ' ' ILE . 25.6 p-80 -36.02 -45.05 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 73.41 109.573 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.533 HG13 ' CE1' ' A' ' 407' ' ' HIS . 65.4 mt -53.23 -59.0 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 73.14 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -55.78 -49.73 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 70.12 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.94 -14.52 35.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 74.34 109.219 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 25.1 ttp85 -81.38 -18.83 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.15 110.333 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.539 HG21 ' CE1' ' A' ' 489' ' ' PHE . 6.6 t -95.03 -53.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 74.24 109.342 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.65 -38.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 75.25 110.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 415' ' ' LYS . 83.9 mt-10 -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 75.32 110.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -39.38 -54.11 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 65.34 109.259 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.654 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 95.2 mt -39.84 -54.51 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.4 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 416' ' ' LEU . 10.9 mt-10 -36.81 -45.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.45 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.82 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 62.14 109.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.48 ' CD1' HG13 ' A' ' 524' ' ' VAL . 2.5 mt -65.96 -45.97 79.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.386 1.054 . . . . 74.31 109.239 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 163.85 -68.63 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 74.01 110.97 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.705 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.17 137.34 0.96 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 0.718 . . . . 75.44 109.35 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 74.25 110.989 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.442 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.9 p30 -59.48 -43.93 93.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 72.44 109.345 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.57 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 80.38 -97.96 1.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 73.0 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.91 -176.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 75.42 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 6.9 p -151.19 149.15 29.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 61.21 110.37 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.561 ' CE1' ' O ' ' A' ' 428' ' ' CYS . 5.3 t80 -121.75 150.82 41.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.25 110.953 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 6.6 p -128.98 150.52 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 73.22 108.3 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 431' ' ' PHE . 11.6 pt-20 -84.83 4.52 32.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 71.43 110.345 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -40.6 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 72.41 109.316 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 429' ' ' GLU . 23.0 t80 -106.28 -17.22 14.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 75.12 110.955 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -49.82 -25.27 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 72.04 110.285 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 1.8 m -83.28 175.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 74.01 109.238 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . 0.403 ' CE1' ' HA3' ' A' ' 437' ' ' GLY . 1.8 p80 -44.31 -41.72 6.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 62.25 109.554 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 96.15 -28.62 12.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.598 1.186 . . . . 51.42 110.957 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.83 52.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 74.45 110.278 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . 0.403 ' HA3' ' CE1' ' A' ' 434' ' ' HIS . . . -175.58 36.58 0.1 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 52.35 111.138 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.99 -71.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 73.21 110.344 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 427' ' ' PHE . 2.3 pp -130.04 -164.54 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 74.52 109.21 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' SER . . . . . 0.448 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 8.6 t -76.43 -71.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.32 109.999 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 0.5 OUTLIER -159.79 -169.85 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.12 108.306 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.503 ' C ' ' CD2' ' A' ' 442' ' ' LEU . 0.2 OUTLIER -90.54 -60.49 1.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 75.42 109.354 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 475' ' ' SER . 43.8 mt-30 -53.52 -19.57 3.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 65.53 110.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.545 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.2 p-10 -52.47 -34.43 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.641 1.213 . . . . 75.14 109.336 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.468 ' CB ' ' CD1' ' A' ' 452' ' ' ILE . . . -82.05 -29.57 31.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 74.33 109.23 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.448 ' CD1' ' HB1' ' A' ' 472' ' ' ALA . 34.8 mt -77.26 -20.32 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 72.42 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 443' ' ' GLN . 19.8 t0 -103.75 -64.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 75.25 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 4.0 m170 -56.11 -61.55 2.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 74.15 109.606 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 162.2 29.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 72.11 109.955 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.413 ' HB1' ' ND2' ' A' ' 396' ' ' ASN . . . -76.46 -73.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 74.4 109.318 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 7.1 m-85 -122.25 135.8 54.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 74.14 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 9.4 mm -77.53 136.01 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 74.5 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.568 HD11 ' CD2' ' A' ' 397' ' ' PHE . 7.2 mt -111.48 122.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 75.41 109.261 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.472 ' CD1' ' OG ' ' A' ' 465' ' ' SER . 3.3 mt -104.72 110.81 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.43 109.366 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.458 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 7.0 tp -74.48 81.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 70.12 109.27 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.407 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 6.1 mt -68.84 88.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 75.41 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.458 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 24.7 p -125.73 158.78 34.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 75.3 110.419 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.6 p -62.14 -13.5 27.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 75.33 109.937 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.497 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 8.4 m120 -97.5 13.36 30.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 74.13 109.337 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.531 ' CE1' HD12 ' A' ' 400' ' ' LEU . 40.5 t80 -150.21 164.98 34.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 74.41 111.033 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 14.2 t0 -114.64 128.71 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 55.24 109.28 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.431 ' C ' ' N ' ' A' ' 464' ' ' LEU . 19.3 p -82.83 -41.73 18.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 74.31 108.201 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -39.22 -29.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 64.15 110.196 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.432 ' CD1' ' HG3' ' A' ' 468' ' ' GLN . 1.8 tm? -87.23 -57.49 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 63.45 109.25 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.472 ' OG ' ' CD1' ' A' ' 454' ' ' LEU . 5.0 p -38.52 -35.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 71.22 110.042 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.416 HD22 ' ND2' ' A' ' 470' ' ' ASN . 2.6 tt -76.81 -59.69 2.67 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 70.25 109.341 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.422 ' ND1' ' O ' ' A' ' 467' ' ' HIS . 1.4 t60 -45.65 -28.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.03 109.619 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 442' ' ' LEU . 4.1 mm100 -76.57 -75.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 72.4 110.395 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.454 ' CG2' ' HE1' ' A' ' 473' ' ' MET . 9.6 p -40.14 -30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 74.34 109.266 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.2 m-80 -74.59 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.31 109.256 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -44.6 -26.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.42 110.251 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.465 ' N ' ' HG3' ' A' ' 471' ' ' GLN . . . -87.52 -40.74 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 73.44 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.49 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 12.7 mtt -61.97 -60.72 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 73.35 110.945 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.414 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -61.39 -12.99 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 74.14 110.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.408 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 14.0 t -85.76 -26.37 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.583 1.177 . . . . 73.4 109.973 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.439 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 45.0 t30 -142.41 88.69 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 72.44 109.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 473' ' ' MET . 7.9 mt -110.58 -21.59 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 64.14 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 4.4 t -73.99 -2.0 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 74.23 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.439 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 15.2 mmt-85 -104.65 -66.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 74.23 110.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.427 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -111.69 -33.93 6.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.32 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.67 37.08 0.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 72.43 111.033 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.9 m -111.92 96.97 36.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 74.35 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.466 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 74.51 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.66 20.4 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 74.33 109.223 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.66 21.17 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 64.24 108.245 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.467 ' CG1' HD13 ' A' ' 454' ' ' LEU . 5.7 t -103.54 123.65 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 72.25 109.362 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.1 mm -125.47 94.52 42.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.215 . . . . 73.22 109.265 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 93.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 74.22 111.016 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.539 ' CE1' HG21 ' A' ' 412' ' ' VAL . 8.1 t80 -77.93 151.63 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 71.2 111.017 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.458 HD22 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -138.72 107.15 7.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 72.33 109.364 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 74.15 110.989 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.7 mp -76.71 -23.0 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.43 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.48 -35.68 80.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 72.31 110.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.444 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 6.3 m -121.59 174.79 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 75.31 110.033 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' SER . . . . . 0.458 ' CA ' HD22 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -140.32 164.83 34.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 73.3 109.994 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . 0.41 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.3 Cg_endo -74.99 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.573 1.828 . . . . 75.41 111.007 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.15 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 75.35 109.277 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -13.52 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 74.41 110.342 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.407 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 7.9 mt -89.32 166.79 13.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 74.11 109.251 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.8 t -64.63 162.42 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 70.55 110.068 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 45.9 m -69.5 -8.53 47.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 73.33 109.967 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 12.6 m-20 -84.57 -36.93 21.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.23 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 98.3 m -41.62 -43.86 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.41 110.449 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.67 75.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 74.22 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.6 m -75.7 -17.85 59.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 75.21 110.073 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 65.4 mt -77.76 -37.24 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.44 109.292 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 1.7 pp -109.85 15.99 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 75.42 109.229 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.6 p -64.47 104.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.41 1.069 . . . . 65.52 110.059 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 114.3 -30.34 7.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 70.41 111.041 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.06 -173.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 74.2 109.331 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 30.3 t -114.91 86.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 73.53 109.281 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 3.3 tmm_? -52.04 110.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.43 110.234 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.553 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 7.9 tp -89.71 132.27 35.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.55 109.226 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.2 m-20 -120.79 167.68 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 73.11 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 11.3 tp10 -121.0 6.74 10.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 73.31 110.264 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.43 10.29 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.41 109.56 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 33.3 t -88.55 162.32 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 74.2 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -100.41 -7.6 24.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 73.25 110.212 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.453 HD13 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 74.44 109.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.553 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.4 t80 -39.59 -35.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 75.22 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.56 -47.51 76.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.386 1.054 . . . . 74.43 109.341 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 519' ' ' ILE . 3.6 mpt_? -73.45 -19.57 60.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 73.1 110.382 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.453 ' CD ' HD13 ' A' ' 519' ' ' ILE . 14.5 mmmt -75.57 -43.04 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.073 . . . . 74.53 109.361 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.48 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.1 p -75.72 -38.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 72.23 109.351 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.87 -3.21 30.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 73.14 109.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -99.56 -42.63 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.23 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.606 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 3.6 t -87.35 -51.41 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.12 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 527' ' ' THR . 57.7 m-85 -92.84 64.5 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 75.24 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.57 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 27.9 mttt -71.22 157.05 90.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 73.34 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -42.33 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 72.44 111.02 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.6 ' CE1' ' NE ' ' A' ' 532' ' ' ARG . 6.3 p80 -61.9 -13.02 20.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 75.32 109.605 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.6 ' NE ' ' CE1' ' A' ' 531' ' ' HIS . 12.7 mmt180 -102.03 -25.47 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.3 110.266 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.434 ' N ' HD23 ' A' ' 533' ' ' LEU . 0.2 OUTLIER -74.51 -51.84 13.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 61.14 109.278 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 531' ' ' HIS . 0.0 OUTLIER -69.55 -25.41 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 72.44 110.305 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.445 ' O ' ' CB ' ' A' ' 538' ' ' ALA . . . -70.29 -8.76 52.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.12 109.328 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.402 ' NH2' ' HB3' ' A' ' 450' ' ' ALA . 4.6 tpp85 -56.92 -44.69 82.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.168 . . . . 75.43 110.315 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 541' ' ' ARG . 11.3 pttt -71.5 -10.76 60.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 75.35 109.216 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 535' ' ' ALA . . . -70.96 -48.89 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 62.31 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 71.11 111.049 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 543' ' ' GLU . 2.1 t90 -52.12 -50.92 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.983 -1.118 . . . . 73.42 107.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 537' ' ' LYS . 12.1 mtp85 -42.1 -28.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 64.54 110.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 540' ' ' TRP . 9.2 mmtp -69.39 -49.88 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 74.13 109.228 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 540' ' ' TRP . 7.8 mm-40 -62.11 -20.87 64.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 73.22 110.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -68.31 -27.74 66.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 75.32 110.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 70.21 109.358 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.5 tmm? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.473 0.178 . . . . 61.54 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -93.38 166.28 12.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 70.53 110.24 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.66 83.51 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 73.15 110.045 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 26.5 p 43.12 55.14 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 74.11 110.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -57.0 92.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 64.34 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.92 -173.5 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 75.4 110.279 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -39.01 122.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 74.35 110.291 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.583 ' NZ ' ' CE1' ' A' ' 395' ' ' TYR . 0.9 OUTLIER -41.98 135.72 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 75.53 109.314 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -159.5 173.72 15.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 75.53 110.973 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.583 ' CE1' ' NZ ' ' A' ' 393' ' ' LYS . 33.9 m-85 -116.88 128.95 55.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.42 110.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.493 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 39.7 m-80 -113.46 -9.02 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 73.1 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.715 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 28.8 p90 -178.65 128.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.11 110.983 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.498 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.4 OUTLIER -88.59 114.67 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 75.23 109.386 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.469 ' CG2' HD21 ' A' ' 455' ' ' LEU . 39.9 mt -84.99 90.22 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.1 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.55 HD13 ' CZ ' ' A' ' 460' ' ' PHE . 0.1 OUTLIER -63.31 97.6 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.556 1.16 . . . . 74.15 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 2.4 p80 -130.23 -178.75 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 64.25 109.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.555 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -104.01 156.62 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 71.3 109.202 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.5 ' CB ' ' SG ' ' A' ' 428' ' ' CYS . 0.0 OUTLIER -61.03 -11.81 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.35 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 403' ' ' ARG . . . -107.03 18.24 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.43 109.2 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -134.21 25.23 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 71.34 109.355 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.566 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 21.5 tt0 -62.34 -74.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 74.54 110.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 406' ' ' GLU . 35.8 p-80 -36.44 -33.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 73.13 109.595 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.463 HD13 ' CB ' ' A' ' 493' ' ' GLU . 30.2 mt -65.29 -60.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 74.32 109.337 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -57.64 -52.18 66.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 73.25 109.307 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.403 HD22 ' N ' ' A' ' 410' ' ' LEU . 1.8 mt -47.79 -24.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.52 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 409' ' ' ALA . 19.9 ttp180 -79.17 -36.7 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 73.45 110.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -70.73 -53.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 71.12 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.466 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.4 mtm180 -37.25 -49.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 74.12 110.294 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 417' ' ' GLU . 44.3 mt-10 -69.2 -51.73 35.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 73.35 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -25.93 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 71.02 109.37 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.554 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 69.3 mt -76.78 -35.75 57.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 72.41 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 414' ' ' GLU . 5.9 mt-10 -74.02 -8.46 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.03 110.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.57 -8.41 52.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 73.4 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.45 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.2 mt -117.01 -44.84 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 71.11 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 74.32 110.941 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.715 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -43.9 138.94 3.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 73.32 109.306 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.86 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 75.23 111.019 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.447 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -60.59 -43.71 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 74.54 109.343 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.564 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 78.5 -93.46 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 72.23 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.23 178.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 74.4 109.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.488 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 1.4 p -152.59 140.37 19.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 73.35 110.345 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.603 ' CE2' ' CD2' ' A' ' 439' ' ' LEU . 0.9 OUTLIER -86.17 133.58 33.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.4 111.023 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 403' ' ' ARG . 8.0 t -128.56 93.58 3.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 73.01 108.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.61 157.2 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 75.15 110.231 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -173.07 155.84 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 73.15 109.36 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 431' ' ' PHE . 5.8 p90 -78.33 -22.38 48.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 74.35 110.979 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -51.42 -34.96 37.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.633 1.208 . . . . 63.45 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 10.5 m -83.88 -173.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 73.54 109.345 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . 0.573 ' CE1' ' CA ' ' A' ' 437' ' ' GLY . 2.0 p80 -97.84 -37.73 9.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 75.44 109.622 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 158.81 -40.21 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 74.55 110.991 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -125.57 23.69 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 73.04 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . 0.573 ' CA ' ' CE1' ' A' ' 434' ' ' HIS . . . -89.85 15.61 58.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 55.43 110.948 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.54 -74.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 0.787 . . . . 73.42 110.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.603 ' CD2' ' CE2' ' A' ' 427' ' ' PHE . 1.3 pp -126.54 152.48 46.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 64.23 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.5 t -39.66 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 72.34 109.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.453 ' CA ' HD11 ' A' ' 439' ' ' LEU . 53.0 t -179.16 149.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 74.13 108.331 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 442' ' ' LEU . 0.2 OUTLIER -54.15 -47.24 72.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 70.33 109.329 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.449 ' N ' ' CD2' ' A' ' 442' ' ' LEU . 29.5 mt-30 -55.24 -19.04 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 62.33 110.405 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 19.2 t0 -69.71 -41.07 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 75.23 109.331 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -71.47 -26.49 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 64.35 109.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.422 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.2 mt -57.9 -26.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 75.02 109.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 -57.17 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 74.03 109.24 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -59.55 -57.24 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 64.43 109.644 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.43 156.64 38.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.4 109.944 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -71.03 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 71.42 109.272 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 6.1 m-85 -118.51 128.1 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 72.21 111.062 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 445' ' ' ALA . 42.6 mm -69.26 127.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.12 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.55 HD13 ' CD2' ' A' ' 397' ' ' PHE . 8.3 mt -104.07 112.8 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 70.21 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.44 HD23 ' CG1' ' A' ' 486' ' ' VAL . 1.8 mm? -92.46 97.86 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 75.04 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 399' ' ' ILE . 6.7 tp -65.72 80.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 74.45 109.286 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 13.6 mt -68.47 98.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 72.2 109.242 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.459 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 12.1 p -132.83 159.64 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 75.4 110.393 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 2.7 p -59.53 -15.31 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 71.53 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -100.9 19.87 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 75.24 109.249 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.55 ' CZ ' HD13 ' A' ' 400' ' ' LEU . 33.0 t80 -154.23 165.78 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 74.15 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.43 142.19 40.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 75.34 109.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 464' ' ' LEU . 3.8 m -93.96 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 73.4 108.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 462' ' ' CYS . 40.1 mtp180 -38.16 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 73.35 110.291 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.471 ' CD2' ' HG3' ' A' ' 468' ' ' GLN . 1.4 tm? -82.96 -62.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 74.42 109.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.538 ' HB3' ' CE2' ' A' ' 460' ' ' PHE . 1.5 p -38.53 -42.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 75.1 109.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 470' ' ' ASN . 7.0 tt -69.92 -57.78 4.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 74.11 109.31 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.536 ' CE1' ' HB3' ' A' ' 471' ' ' GLN . 2.1 t60 -42.9 -59.03 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 74.42 109.636 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 464' ' ' LEU . 8.5 mt-30 -46.13 -33.9 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 73.24 110.362 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 465' ' ' SER . 39.1 t -78.06 -67.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 73.22 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 466' ' ' LEU . 2.0 m-80 -43.13 -67.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 75.04 109.316 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.536 ' HB3' ' CE1' ' A' ' 467' ' ' HIS . 0.0 OUTLIER -38.25 -30.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 75.13 110.329 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.458 ' N ' ' HG3' ' A' ' 471' ' ' GLN . . . -79.44 -53.23 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 61.32 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.448 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 9.2 mtt -47.67 -58.96 3.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 74.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.414 ' CE ' ' O ' ' A' ' 471' ' ' GLN . 0.4 OUTLIER -58.28 -15.34 9.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 74.23 110.989 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.2 t -90.9 -21.05 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 71.04 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 47.4 t30 -141.72 86.92 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 63.22 109.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 8.2 mt -110.43 -20.85 12.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 74.31 109.32 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.5 t -76.19 0.19 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 74.34 110.418 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 12.0 mmt85 -103.44 -73.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 70.22 110.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.492 ' NE2' ' ND2' ' A' ' 476' ' ' ASN . 0.7 OUTLIER -117.28 -36.45 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.1 110.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 44.99 41.06 7.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 52.21 110.967 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.3 m -111.34 98.13 38.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 55.23 109.983 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.44 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.5 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 72.45 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -94.3 16.77 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 71.21 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.2 m -92.48 17.76 9.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 74.12 108.274 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.48 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 85.7 t -104.63 130.21 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.42 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.48 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 3.1 mm -133.42 91.62 26.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 74.33 109.315 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.98 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.477 1.778 . . . . 74.22 111.057 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 412' ' ' VAL . 5.6 t80 -90.75 168.83 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 73.52 110.959 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.44 HD22 ' CA ' ' A' ' 495' ' ' SER . 0.8 OUTLIER -152.89 98.73 2.79 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 72.54 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 166.41 29.19 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.543 1.812 . . . . 74.44 111.045 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 4.0 mp -69.72 -34.95 74.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 72.24 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.463 ' CB ' HD13 ' A' ' 408' ' ' ILE . 30.4 mm-40 -54.38 -35.35 62.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 73.51 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 8.7 m -119.06 179.29 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 63.03 109.956 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' SER . . . . . 0.44 ' CA ' HD22 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.88 165.85 18.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.405 1.066 . . . . 71.33 110.04 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 -35.27 3.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 73.44 110.997 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.7 71.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 55.4 109.343 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.34 -14.72 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 70.43 110.32 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 1.3 mt -101.39 170.62 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 75.32 109.372 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.0 m -64.38 154.39 35.67 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.41 1.069 . . . . 71.51 109.973 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 17.5 m -67.74 -9.25 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.32 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.5 m-20 -81.41 -35.39 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.54 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.48 ' O ' ' CD1' ' A' ' 507' ' ' LEU . 26.8 m -43.0 -50.03 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 74.25 110.414 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -51.15 -38.01 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 73.21 109.277 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.0 t -81.61 -23.7 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.25 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 90.0 mt -67.49 -39.35 85.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 74.13 109.265 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.48 ' CD1' ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.53 25.25 9.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.35 109.323 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.96 -31.68 71.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 63.22 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -90.6 -21.53 36.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 61.42 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 486' ' ' VAL . 9.2 mt -80.84 -171.75 3.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 72.41 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.433 HG13 ' CE ' ' A' ' 523' ' ' LYS . 55.3 t -116.73 103.95 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.24 109.22 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -71.56 100.51 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 73.41 110.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.436 HD22 ' CG2' ' A' ' 487' ' ' ILE . 2.3 mp -71.91 137.14 47.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 64.04 109.36 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.4 m-20 -122.73 167.7 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 75.14 109.36 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 9.9 tt0 -123.43 5.91 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 65.41 110.324 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.444 ' NE2' ' OD2' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -122.96 -0.22 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 72.15 109.528 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.74 163.24 14.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 70.21 110.039 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.92 -0.55 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.12 110.23 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.463 HD12 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.67 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 64.5 109.364 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.9 t80 -40.07 -35.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.4 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.17 -47.39 75.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.548 1.155 . . . . 63.04 109.303 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.448 ' O ' ' ND2' ' A' ' 526' ' ' ASN . 2.2 mpt_? -73.74 -21.18 60.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 75.31 110.339 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.463 ' CD ' HD12 ' A' ' 519' ' ' ILE . 15.2 mmmt -74.18 -40.87 62.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 73.23 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.45 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -79.24 -45.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 74.43 109.287 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.28 -10.95 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.21 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.1 m-20 -86.34 -53.64 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 73.21 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 8.2 t -77.37 -55.2 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 73.42 110.507 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.419 ' N ' ' CG2' ' A' ' 527' ' ' THR . 31.4 m-85 -82.88 56.21 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 75.41 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 76.9 mttt -64.75 160.82 50.81 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.02 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . 0.447 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.4 Cg_endo -74.95 -20.28 17.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.739 . . . . 45.44 111.084 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.42 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 7.2 p-80 -90.43 -11.79 39.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.499 1.125 . . . . 64.32 109.561 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.478 ' NH2' HH12 ' A' ' 536' ' ' ARG . 26.6 mmm180 -101.91 -7.28 22.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.43 110.275 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.493 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 3.5 mm? -88.48 -35.84 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 72.22 109.336 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 2.2 mt-30 -81.9 -42.46 19.49 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 62.31 110.243 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -51.24 -22.47 2.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.561 1.163 . . . . 75.44 109.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.478 HH12 ' NH2' ' A' ' 532' ' ' ARG . 0.0 OUTLIER -62.38 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 74.4 110.343 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.13 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -61.14 -15.1 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 65.54 109.331 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 13.2 mtm -95.56 -21.42 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 73.21 111.01 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -77.18 -27.09 53.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.993 -1.114 . . . . 72.51 107.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 542' ' ' LYS . 6.3 ptp180 -76.65 -24.12 53.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 74.45 110.189 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 541' ' ' ARG . 10.6 mmtp -69.44 -40.4 77.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 72.14 109.166 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.85 -29.45 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 73.31 110.355 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -79.06 -50.77 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 75.44 110.357 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 73.51 109.29 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 386' ' ' MET . . . . . 0.441 ' N ' ' SD ' ' A' ' 386' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.45 0.167 . . . . 75.44 110.999 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -113.45 147.78 37.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 64.34 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.6 t -134.98 10.87 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 61.11 109.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 389' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 391' ' ' GLU . 76.7 p -124.4 18.26 8.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.12 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 15.9 p -42.88 97.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.41 110.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 389' ' ' SER . 4.6 pt-20 -89.17 -171.21 3.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 54.12 110.25 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -40.4 160.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.43 110.341 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.578 ' CE ' ' CE1' ' A' ' 395' ' ' TYR . 4.8 tmtt? -101.69 132.39 47.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 75.35 109.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.511 ' CD2' ' HD3' ' A' ' 537' ' ' LYS . 79.0 t80 -159.5 157.45 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 72.13 111.024 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 11.8 m-30 -102.59 132.68 48.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 73.43 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -115.9 -1.93 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.24 109.364 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.641 ' CD2' ' CD1' ' A' ' 453' ' ' ILE . 28.5 p90 -178.03 160.99 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 74.0 111.033 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.418 HG23 ' NE2' ' A' ' 448' ' ' HIS . 2.3 t -122.81 105.36 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 73.43 109.365 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 46.0 mt -71.84 91.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 74.31 109.308 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.526 HD12 ' CE1' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -69.86 103.38 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 73.53 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.526 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 25.1 p80 -137.87 -168.97 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 73.01 109.555 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.526 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -96.75 141.79 29.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 51.43 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -54.77 -15.8 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 74.33 110.249 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.409 ' C ' ' OD2' ' A' ' 405' ' ' ASP . . . -94.55 17.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 72.42 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.495 ' OD1' ' CB ' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -139.31 36.34 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 64.15 109.32 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 410' ' ' LEU . 18.8 tt0 -64.94 -71.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 73.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.497 ' CE1' HG13 ' A' ' 408' ' ' ILE . 24.9 p-80 -36.81 -39.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.35 109.623 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.497 HG13 ' CE1' ' A' ' 407' ' ' HIS . 67.3 mt -58.23 -60.74 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 72.22 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -54.25 -49.34 69.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 73.14 109.309 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.456 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 10.1 mp -60.76 -15.11 26.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.43 109.279 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 408' ' ' ILE . 11.0 ttp180 -80.62 -21.71 41.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 73.52 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 413' ' ' ARG . 3.6 t -96.72 -51.65 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 74.11 109.309 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 412' ' ' VAL . 9.7 mtm180 -31.01 -58.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 74.05 110.297 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 15.6 mt-10 -66.32 -52.86 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 63.32 110.273 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.24 -34.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 75.1 109.372 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 397' ' ' PHE . 64.1 mt -69.61 -50.84 40.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 73.42 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 62.8 mt-10 -40.02 -28.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.357 1.036 . . . . 70.44 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 416' ' ' LEU . . . -74.87 -50.89 15.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.179 . . . . 74.31 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.472 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.8 mt -61.12 -46.27 91.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.34 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.11 -65.91 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 73.44 110.968 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 1.6 p -55.11 144.14 50.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 75.12 109.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.401 ' N ' HG21 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.02 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 71.24 111.042 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.483 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.4 OUTLIER -56.89 -42.37 79.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 73.14 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.599 ' O ' ' CD1' ' A' ' 395' ' ' TYR . . . 83.47 -91.02 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.404 1.065 . . . . 61.52 111.01 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.531 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.42 179.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 0.717 . . . . 74.41 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.7 p -152.42 160.56 43.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.423 1.077 . . . . 75.44 110.437 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.58 ' CE2' HD23 ' A' ' 439' ' ' LEU . 5.8 t80 -125.96 142.32 51.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 64.53 110.99 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 58.3 m -119.54 149.83 41.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 71.44 108.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.86 147.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 74.41 110.302 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.76 19.16 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 75.31 109.356 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -104.3 11.78 34.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.52 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -126.36 -43.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 74.42 110.339 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 3.3 m -67.28 177.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 74.2 109.377 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -42.88 -49.63 5.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 63.52 109.607 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 178.48 -113.07 0.39 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 74.31 110.931 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 65.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 75.11 110.308 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -123.69 12.68 8.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 73.13 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -81.83 -56.85 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 70.34 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.58 HD23 ' CE2' ' A' ' 427' ' ' PHE . 3.7 pp -118.03 175.69 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 75.34 109.2 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' SER . . . . . 0.417 ' N ' HD12 ' A' ' 439' ' ' LEU . 0.7 OUTLIER -51.29 -71.78 0.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.422 1.076 . . . . 74.03 109.962 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.418 ' N ' HD11 ' A' ' 439' ' ' LEU . 1.8 m -161.87 160.17 27.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 75.23 108.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 468' ' ' GLN . 1.5 tm? -60.29 -44.51 95.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 64.34 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.18 -26.91 59.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.42 110.29 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.12 -8.84 49.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 72.03 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.579 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -81.48 -9.55 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 44.03 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.466 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 tt -92.54 -16.29 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 74.12 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.06 -33.76 8.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 55.23 109.208 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -78.73 1.0 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 70.11 109.606 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.419 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 26.4 m -148.74 160.39 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 63.13 109.958 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.411 ' HA ' ' NH2' ' A' ' 536' ' ' ARG . . . -65.29 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.605 1.191 . . . . 54.43 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.485 ' O ' ' CB ' ' A' ' 397' ' ' PHE . 16.5 m-30 -119.07 147.03 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 73.14 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.466 ' CG1' HG13 ' A' ' 446' ' ' ILE . 2.1 mm -85.63 140.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 71.22 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.641 ' CD1' ' CD2' ' A' ' 397' ' ' PHE . 7.9 mt -110.74 128.31 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 74.22 109.264 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 489' ' ' PHE . 6.6 mt -101.22 99.28 9.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 73.44 109.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 14.9 tp -76.27 89.97 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 74.2 109.353 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.4 mt -71.24 99.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 64.01 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.474 HG21 ' CD ' ' A' ' 491' ' ' PRO . 46.8 p -131.94 149.26 52.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 64.54 110.413 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 24.2 p -58.6 -16.22 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 71.34 109.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -90.47 -24.5 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 74.4 109.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.561 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 58.1 t80 -109.99 170.09 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 74.45 110.935 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.561 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.9 m-20 -116.58 142.07 47.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.4 109.326 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.27 -56.61 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 73.24 108.263 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 0.1 OUTLIER -39.51 -32.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.51 110.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.0 OUTLIER -70.5 -65.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 74.14 109.365 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.3 OUTLIER -50.01 -59.75 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 73.13 110.002 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' A' ' 466' ' ' LEU . 0.5 OUTLIER -51.68 -23.11 4.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 75.21 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 27.5 t60 -90.46 -26.73 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.662 1.226 . . . . 70.33 109.578 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 442' ' ' LEU . 5.9 mt-30 -80.63 -61.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.11 110.392 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.47 ' CG2' ' HE2' ' A' ' 473' ' ' MET . 13.7 p -49.96 -54.07 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.25 109.266 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.8 m-80 -47.03 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 65.04 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.493 ' O ' ' CB ' ' A' ' 475' ' ' SER . 26.6 mm-40 -39.24 -46.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 75.2 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.414 ' O ' ' OD1' ' A' ' 476' ' ' ASN . . . -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 65.41 109.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 6.2 mtt -59.91 -71.69 0.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.544 1.153 . . . . 73.14 110.979 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.47 ' HA ' ' CD2' ' A' ' 477' ' ' LEU . 1.2 ptm -50.25 -21.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 73.34 110.938 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 5.0 t -74.14 -48.13 31.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.01 109.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 480' ' ' GLN . 53.0 p-10 -122.11 70.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 70.23 109.362 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.47 ' CD2' ' HA ' ' A' ' 474' ' ' MET . 14.2 mt -72.54 -33.43 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 74.22 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 12.7 t -69.54 -6.65 32.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 72.23 110.366 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -77.04 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 73.54 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.3 pp0? -115.54 -31.84 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 74.22 110.257 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.503 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 37.38 45.06 1.26 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.49 1.119 . . . . 63.24 111.009 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 74.0 m -115.73 87.67 18.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 72.33 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.472 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.89 0.44 8.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.478 1.778 . . . . 75.13 111.076 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.85 32.33 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 72.01 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 13.3 p -113.27 8.85 18.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 62.22 108.27 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.434 HG23 ' CE ' ' A' ' 473' ' ' MET . 2.1 t -87.33 109.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.13 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.47 HG22 ' CD2' ' A' ' 513' ' ' LEU . 2.5 mm -114.67 97.37 46.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 71.24 109.354 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 103.95 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.551 1.816 . . . . 74.44 110.979 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 4.2 t80 -84.61 166.51 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 75.12 111.003 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.455 ' CD2' ' O ' ' A' ' 456' ' ' LEU . 2.5 tm? -149.69 102.06 3.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 75.11 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.474 ' CD ' HG21 ' A' ' 457' ' ' THR . 18.0 Cg_endo -75.05 158.26 42.09 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.42 1.747 . . . . 74.24 110.938 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -67.2 -21.43 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 75.5 109.254 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.469 ' CB ' HD13 ' A' ' 408' ' ' ILE . 4.5 mm-40 -67.89 -34.45 76.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.41 110.266 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 22.3 m -117.18 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 61.23 110.004 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.05 165.55 18.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 71.25 109.954 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -33.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.575 1.829 . . . . 72.34 110.987 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.95 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 72.33 109.324 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.414 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 2.7 mt-30 -66.45 -9.69 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.43 110.361 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 6.9 mt -104.04 169.94 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 64.13 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 501' ' ' SER . 2.2 t -65.49 175.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.23 109.985 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 500' ' ' SER . 68.4 m -81.66 -13.38 57.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.14 109.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 505' ' ' SER . 1.4 p30 -79.19 -38.96 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 73.35 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.465 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.2 m -42.44 -28.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 74.21 110.497 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.125 . . . . 74.33 109.259 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.9 m -72.19 -22.74 61.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.54 110.012 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 47.1 mt -69.88 -32.43 70.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.43 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 456' ' ' LEU . 3.7 pp -110.56 14.99 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 71.45 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.3 t -74.24 106.48 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.409 1.068 . . . . 74.3 109.936 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.57 11.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 71.13 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.41 -172.33 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 0.716 . . . . 74.25 109.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.457 ' CG1' ' HB3' ' A' ' 523' ' ' LYS . 3.2 t -113.32 99.59 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 74.11 109.248 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 11.4 ttp-105 -72.88 128.7 36.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 74.12 110.341 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 489' ' ' PHE . 0.3 OUTLIER -97.1 138.61 34.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 70.34 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.43 ' OD2' ' NE2' ' A' ' 516' ' ' HIS . 0.9 OUTLIER -142.82 143.37 32.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 71.03 109.34 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -78.88 -35.22 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 64.35 110.292 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.49 ' CG ' HD23 ' A' ' 492' ' ' LEU . 0.3 OUTLIER -88.33 14.45 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 75.14 109.674 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -97.86 118.27 34.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 74.24 110.012 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -74.68 -1.87 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 74.2 110.401 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.98 -28.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 64.55 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.501 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 0.2 OUTLIER -39.72 -35.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 73.43 111.032 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.43 -47.27 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.425 1.078 . . . . 75.12 109.36 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.8 mpt_? -73.15 -20.1 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 73.04 110.197 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.462 ' CD ' HD13 ' A' ' 519' ' ' ILE . 21.4 mmmt -74.66 -47.03 34.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.04 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.8 p -72.95 -32.56 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.42 109.248 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.43 ' N ' HG11 ' A' ' 524' ' ' VAL . . . -81.72 -4.54 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 72.44 109.342 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 14.2 m-20 -98.84 -28.74 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.35 109.311 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 2.7 t -101.53 -51.07 3.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 74.34 110.382 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 527' ' ' THR . 49.2 m-85 -96.65 62.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 73.22 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 32.8 mttt -70.21 155.64 93.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.24 109.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 75.12 110.962 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.455 ' ND1' ' CD ' ' A' ' 532' ' ' ARG . 9.6 p80 -72.43 -5.5 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 64.24 109.563 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.455 ' CD ' ' ND1' ' A' ' 531' ' ' HIS . 1.6 mpt_? -101.11 -49.71 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 72.23 110.302 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 1.9 mt -54.42 -59.83 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 74.3 109.288 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 531' ' ' HIS . 3.7 pt20 -53.0 -40.18 63.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.42 110.326 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -73.33 -20.99 60.66 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 75.25 109.221 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 532' ' ' ARG . 5.1 mmm180 -83.63 -12.1 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 62.54 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 394' ' ' PHE . 19.8 mmmt -83.45 -9.67 58.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 63.55 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -70.93 -48.42 53.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 64.54 109.337 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 60.0 mtm -64.86 -19.93 66.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.354 1.034 . . . . 72.3 110.959 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -23.7 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.34 108.091 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -77.78 -20.95 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 74.23 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -71.67 -15.64 62.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.25 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.05 -20.45 38.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 71.22 110.311 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -77.86 -36.02 50.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 75.33 110.361 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 74.34 109.317 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.189 . . . . 74.34 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.45 106.0 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 71.13 110.261 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 31.9 p -91.59 9.34 32.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 75.12 109.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 59.1 p -120.93 18.77 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 74.13 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 41.59 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 63.14 110.009 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.53 -174.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 62.53 110.215 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -137.5 166.9 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 63.53 110.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 395' ' ' TYR . 16.5 ttpp -60.32 154.8 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 74.51 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 544' ' ' GLN . 98.4 m-85 -59.47 91.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 71.32 111.03 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 425' ' ' ALA . 6.9 m-30 -105.68 139.57 40.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 74.24 110.929 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.504 ' CG ' ' CD1' ' A' ' 533' ' ' LEU . 17.8 m120 -119.97 -3.2 10.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 63.23 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 416' ' ' LEU . 5.1 p90 -177.95 149.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 75.31 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.702 ' CG2' ' CD1' ' A' ' 427' ' ' PHE . 1.6 p -113.78 109.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.15 109.306 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.551 HG13 ' CD1' ' A' ' 397' ' ' PHE . 61.3 mt -83.71 96.24 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 75.25 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.505 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 8.2 mt -75.39 133.44 41.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 74.21 109.282 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -162.71 -174.19 3.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.451 1.095 . . . . 75.5 109.571 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.458 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -84.63 -158.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 73.34 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -99.18 -19.04 17.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 73.54 110.318 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -103.56 17.1 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.31 109.281 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.52 26.34 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 64.34 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.57 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 14.3 tt0 -65.36 -74.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.54 110.223 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 408' ' ' ILE . 10.1 p-80 -39.26 -43.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 74.23 109.565 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.502 HG13 ' CE1' ' A' ' 407' ' ' HIS . 68.7 mt -52.43 -49.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 55.22 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.67 -49.28 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 62.01 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.431 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 9.9 mp -62.38 -13.87 33.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 73.55 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 407' ' ' HIS . 13.6 ttp85 -85.1 -16.39 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 75.21 110.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.63 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 19.0 t -96.39 -51.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 74.23 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.457 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.5 mtm180 -36.71 -40.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 75.22 110.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.24 -54.04 10.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 73.5 110.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -23.68 6.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 71.2 109.296 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 397' ' ' PHE . 16.5 mt -73.98 -35.4 64.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 72.44 109.3 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.58 -8.15 56.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 75.23 110.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -94.5 -5.32 46.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 53.23 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.444 ' CD1' HG11 ' A' ' 524' ' ' VAL . 4.1 mt -117.38 -44.89 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 75.33 109.244 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 173.03 -68.68 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 75.32 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.523 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 1.0 OUTLIER -48.78 144.45 7.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 72.02 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.486 ' CG ' ' OD1' ' A' ' 396' ' ' ASN . 18.0 Cg_endo -75.1 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.528 1.804 . . . . 73.43 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.8 OUTLIER -70.06 -18.35 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 71.42 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.557 ' HA3' ' CE2' ' A' ' 397' ' ' PHE . . . 59.33 -97.33 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 74.35 110.963 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 395' ' ' TYR . . . 164.02 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 54.34 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -152.07 153.57 34.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 72.24 110.375 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.702 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 1.9 m-30 -118.18 91.5 3.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 71.44 111.07 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.03 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 72.23 108.317 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 427' ' ' PHE . 4.9 tt0 -61.19 123.07 16.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 72.35 110.199 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -143.99 127.61 17.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 73.53 109.352 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -96.34 9.39 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 72.44 110.9 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -79.78 -34.34 39.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 73.2 110.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 158.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 43.21 109.325 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -41.18 -45.5 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 73.42 109.6 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 102.1 -19.77 47.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 64.44 111.066 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.89 1.94 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 73.23 110.303 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -122.13 -0.93 10.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.395 1.059 . . . . 71.12 111.063 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -94.92 -50.77 4.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 73.35 110.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 427' ' ' PHE . 3.5 pp -129.46 -164.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 75.43 109.272 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' SER . . . . . 0.516 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 40.4 m -87.11 -70.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 75.43 110.102 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 2.0 t -172.88 161.92 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 75.24 108.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.59 -54.36 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.34 109.339 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.443 ' CG ' ' HB1' ' A' ' 472' ' ' ALA . 29.5 mt-30 -69.16 -7.08 33.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 74.22 110.43 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.58 ' CG ' ' CE1' ' A' ' 448' ' ' HIS . 0.8 OUTLIER -68.14 -14.31 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.44 109.339 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.522 ' CB ' ' CD1' ' A' ' 452' ' ' ILE . . . -103.84 -34.56 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 72.44 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 472' ' ' ALA . 66.9 mt -69.33 -19.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 73.43 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -104.03 -58.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 75.54 109.354 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 444' ' ' ASP . 2.4 m170 -68.23 -62.58 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 72.04 109.603 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -70.66 157.58 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 63.4 110.056 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.57 -78.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 71.12 109.371 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.04 146.96 48.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 75.43 111.015 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.522 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 8.8 mm -79.3 138.69 19.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.34 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 397' ' ' PHE . 95.4 mt -113.42 113.56 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 74.52 109.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 465' ' ' SER . 11.8 mt -89.56 106.66 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 72.35 109.323 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.448 HD22 ' CG2' ' A' ' 399' ' ' ILE . 6.9 tp -75.2 79.48 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 71.34 109.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.12 92.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 74.31 109.214 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.465 HG21 ' CG ' ' A' ' 491' ' ' PRO . 82.4 p -131.86 149.8 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 72.53 110.418 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.2 t -59.53 -15.68 19.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.065 . . . . 73.4 109.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -90.0 -21.7 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 71.44 109.212 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 401' ' ' HIS . 32.6 t80 -112.68 172.34 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 75.54 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 36.6 t0 -112.63 135.6 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 65.23 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 465' ' ' SER . 3.5 m -94.03 -50.13 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 61.41 108.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -38.56 -41.3 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 75.14 110.302 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.455 ' CD2' ' HG3' ' A' ' 468' ' ' GLN . 1.7 tm? -77.81 -44.54 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 75.14 109.231 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.453 ' CB ' HD11 ' A' ' 454' ' ' LEU . 78.4 p -49.36 -27.3 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 74.11 109.974 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 506' ' ' LEU . 6.2 tt -88.92 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.37 1.044 . . . . 74.42 109.235 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -45.69 -28.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.43 109.547 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 464' ' ' LEU . 68.9 mt-30 -75.62 -76.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 74.25 110.306 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.452 HG23 ' CE ' ' A' ' 473' ' ' MET . 8.8 p -39.95 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 70.32 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 468' ' ' GLN . 2.3 m-80 -74.88 -72.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.4 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.483 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -41.94 -27.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.43 110.286 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.483 ' N ' ' HG3' ' A' ' 471' ' ' GLN . . . -82.79 -52.54 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 72.15 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.471 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 5.9 mtt -50.36 -54.0 24.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.43 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.89 -8.38 28.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 75.34 111.008 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.413 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 1.3 t -76.1 -50.3 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 75.32 110.014 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -138.1 92.37 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 75.54 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 473' ' ' MET . 13.9 mt -90.78 -38.06 13.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 75.23 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.1 t -64.73 -11.14 32.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 75.33 110.407 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.5 -74.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 74.25 110.311 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.411 ' NE2' HG21 ' A' ' 446' ' ' ILE . 0.1 OUTLIER -110.26 -27.37 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.33 110.323 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 40.62 67.51 0.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.555 1.16 . . . . 74.04 111.077 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' SER . . . . . 0.405 ' O ' ' SG ' ' A' ' 485' ' ' CYS . 2.0 t -127.77 91.59 44.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 70.34 109.954 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 0.61 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.513 1.796 . . . . 65.14 111.0 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 43.36 2.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 63.33 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 29.2 p -111.53 30.3 7.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 73.51 108.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.451 ' CG1' HD12 ' A' ' 454' ' ' LEU . 2.2 t -123.13 123.14 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 75.34 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.438 HG22 ' CD2' ' A' ' 513' ' ' LEU . 3.3 mm -132.59 96.84 18.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.33 109.388 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.381 1.727 . . . . 72.23 110.967 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.63 ' CE2' ' CG2' ' A' ' 412' ' ' VAL . 6.7 t80 -78.01 161.72 27.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.33 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LEU . 0.7 OUTLIER -141.52 97.96 6.61 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 74.34 109.402 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.465 ' CG ' HG21 ' A' ' 457' ' ' THR . 18.1 Cg_endo -74.96 150.58 38.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 75.21 111.014 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.446 HD21 ' N ' ' A' ' 516' ' ' HIS . 3.2 mt -64.08 -17.13 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 75.1 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -73.19 -24.12 60.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 74.02 110.236 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 15.3 m -124.39 -178.5 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 63.32 109.966 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.18 159.14 43.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 70.32 110.009 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -27.4 10.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.464 1.77 . . . . 72.11 110.978 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.25 72.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 73.13 109.292 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.57 -11.22 59.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.13 110.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.435 ' CD1' HG21 ' A' ' 503' ' ' THR . 2.3 mt -98.23 165.11 12.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 73.31 109.289 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.86 159.41 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 72.03 109.939 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.4 m -69.45 -11.53 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 63.21 110.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 505' ' ' SER . 24.9 m-20 -82.47 -34.05 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 72.43 109.332 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.469 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 1.8 m -45.32 -25.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 72.35 110.4 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -71.56 -44.42 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 63.32 109.316 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 502' ' ' ASP . 5.5 t -79.59 -13.36 59.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 64.53 110.041 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 34.0 mt -79.84 -32.15 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 71.23 109.311 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 2.8 pp -109.88 14.01 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.41 109.38 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 7.7 p -56.64 101.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 72.04 110.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 110.45 -25.56 15.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.446 1.091 . . . . 75.14 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 14.5 mt -58.05 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 65.53 109.239 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 50.5 t -116.14 92.14 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.23 109.39 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.57 128.93 37.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 73.21 110.284 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 490' ' ' LEU . 0.3 OUTLIER -110.39 145.53 37.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 64.1 109.271 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.481 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.5 m-20 -145.27 133.19 21.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 61.3 109.37 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.07 -1.15 24.55 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.536 1.148 . . . . 61.5 110.329 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.481 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 1.4 p-80 -121.3 44.12 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 73.0 109.535 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' A' ' 520' ' ' PHE . 2.7 t -138.72 126.88 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 70.33 109.985 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -74.23 -2.78 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 74.33 110.411 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.35 -28.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 74.42 109.353 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.418 ' CB ' ' HB3' ' A' ' 517' ' ' SER . 1.6 t80 -40.51 -34.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 74.03 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.53 85.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 74.12 109.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.13 -22.8 60.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.32 110.302 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.412 ' CD ' HD13 ' A' ' 519' ' ' ILE . 24.0 mmmt -70.8 -43.16 69.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 64.44 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.444 HG11 ' CD1' ' A' ' 419' ' ' LEU . 2.7 p -79.4 -41.26 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 74.01 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' HG13 ' A' ' 524' ' ' VAL . . . -69.7 -9.82 55.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 72.32 109.325 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -85.88 -50.46 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 73.52 109.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.48 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -80.38 -53.99 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 61.44 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.48 ' CD2' HG23 ' A' ' 527' ' ' THR . 60.2 m-85 -86.86 58.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 74.34 111.048 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.55 ' CB ' ' CE1' ' A' ' 531' ' ' HIS . 12.4 mmtt -59.86 157.57 28.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.31 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . 0.438 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.3 Cg_endo -74.9 -36.44 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.3 110.954 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' CB ' ' A' ' 529' ' ' LYS . 55.8 p-80 -61.83 -16.73 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 74.02 109.614 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 536' ' ' ARG . 31.6 mmm-85 -99.36 -55.67 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 74.24 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.504 ' CD1' ' CG ' ' A' ' 396' ' ' ASN . 3.8 mm? -40.25 -39.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.12 109.257 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 6.4 mt-30 -76.61 -45.83 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 71.24 110.341 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 532' ' ' ARG . . . -65.63 -12.94 57.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 70.04 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 532' ' ' ARG . 19.7 tpp180 -90.62 -35.62 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 75.14 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.0 -13.68 32.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 64.54 109.219 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -69.01 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 74.14 109.257 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 12.6 mtm -92.58 -43.71 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 72.44 111.053 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -68.74 -52.96 25.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 72.24 108.054 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -38.98 -40.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 73.24 110.373 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -62.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 75.22 109.251 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.67 -31.41 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 71.34 110.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.602 HE21 ' N ' ' A' ' 544' ' ' GLN . 6.9 mm-40 -68.28 -26.31 65.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.33 110.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 63.04 109.216 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.527 0.203 . . . . 74.52 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -78.61 137.34 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 74.35 110.329 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 34.8 m -90.17 19.66 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 65.51 110.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 44.6 t -135.08 19.06 3.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.43 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 t -84.05 100.55 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.13 109.977 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -85.09 178.84 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 71.52 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -91.84 -172.64 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 71.34 110.316 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -88.21 123.75 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.11 109.263 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.53 ' CD2' ' NZ ' ' A' ' 537' ' ' LYS . 11.9 t80 -159.04 162.51 36.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 75.24 111.047 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 15.8 m-30 -102.09 137.92 39.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.491 1.119 . . . . 74.43 110.964 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.437 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 9.6 m-80 -115.41 -9.38 12.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.11 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.697 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 10.8 p90 -169.38 145.69 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 73.41 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . . . . . . . . . 2.9 t -112.22 108.75 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 72.12 109.357 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.463 ' CG2' HD23 ' A' ' 455' ' ' LEU . 35.0 mt -72.87 92.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 75.24 109.226 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.434 HD21 ' CD2' ' A' ' 427' ' ' PHE . 2.6 mt -72.07 100.66 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 72.35 109.248 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 409' ' ' ALA . 13.4 p80 -140.32 173.38 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 71.22 109.56 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.519 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.58 -171.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 62.12 109.358 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.03 -4.96 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 75.42 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.75 17.17 22.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 72.24 109.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.543 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.0 OUTLIER -133.35 36.73 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.44 109.301 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.458 ' HG3' ' CD1' ' A' ' 410' ' ' LEU . 20.3 tt0 -62.12 -72.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 75.32 110.261 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 23.7 p-80 -42.32 -36.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 71.42 109.555 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.409 HG13 ' CE1' ' A' ' 407' ' ' HIS . 57.8 mt -58.07 -47.82 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 70.34 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.567 ' HB3' ' CD2' ' A' ' 401' ' ' HIS . . . -72.85 -56.1 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.35 109.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.458 ' CD1' ' HG3' ' A' ' 406' ' ' GLU . 9.0 mp -53.64 -20.42 5.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.127 . . . . 75.22 109.345 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 18.7 ttp180 -77.09 -32.08 56.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 74.1 110.309 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.7 t -80.24 -49.68 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.3 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.481 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.9 mtm180 -36.55 -44.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 64.21 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.8 mm-40 -72.33 -57.27 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 61.03 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 74.43 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.546 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 95.9 mt -70.42 -44.31 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 75.03 109.23 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.2 mt-10 -64.3 -11.13 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 74.52 110.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.62 -6.27 59.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 72.31 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.454 ' CD1' HG12 ' A' ' 524' ' ' VAL . 3.5 mt -120.8 -45.12 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 75.24 109.188 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 178.56 -76.21 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 74.14 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.697 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -41.13 137.61 1.53 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 74.03 109.257 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 70.43 111.078 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.535 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.3 p-10 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 64.31 109.213 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.73 -96.73 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.15 . . . . 51.45 111.042 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 161.68 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 0.799 . . . . 72.01 109.216 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.8 p -152.4 152.56 32.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 75.21 110.441 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.623 ' CD1' ' CD2' ' A' ' 439' ' ' LEU . 7.7 t80 -133.12 129.04 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.34 110.957 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 22.1 p -137.24 125.94 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 63.33 108.346 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -61.85 124.58 21.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 63.41 110.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.38 129.16 6.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 71.21 109.329 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.19 13.8 16.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 72.43 111.047 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -120.71 -4.29 9.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 74.01 110.252 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -47.03 171.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 74.31 109.268 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -48.53 -44.46 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 70.31 109.6 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 95.95 45.7 2.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.12 . . . . 62.34 110.988 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -110.33 5.31 21.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.381 0.695 . . . . 74.43 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 76.66 96.15 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 64.42 111.036 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.21 -75.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 0.812 . . . . 70.54 110.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.623 ' CD2' ' CD1' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -133.52 170.29 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 73.01 109.254 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' SER . . . . . 0.408 ' N ' HD11 ' A' ' 439' ' ' LEU . 2.0 m -73.89 -69.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 63.41 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.548 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 2.5 t -174.51 169.82 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 74.14 108.251 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 452' ' ' ILE . 0.1 OUTLIER -52.31 -33.42 42.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 73.14 109.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.436 ' NE2' ' OG ' ' A' ' 475' ' ' SER . 10.5 tp60 -60.88 -32.69 72.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 74.44 110.419 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.539 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.4 t0 -79.63 -3.3 46.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 75.34 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.451 ' CB ' HD11 ' A' ' 452' ' ' ILE . . . -101.69 -31.3 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 62.14 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.478 ' CD1' ' CG2' ' A' ' 469' ' ' VAL . 1.2 tt -78.88 -15.76 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 75.32 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.55 -43.29 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 70.33 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.7 OUTLIER -78.33 -64.61 1.13 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.616 1.197 . . . . 71.31 109.519 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.4 OUTLIER -70.96 154.0 42.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.0 109.917 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -61.93 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.107 . . . . 74.44 109.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -117.75 138.32 52.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.34 111.031 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.469 HG22 ' CD2' ' A' ' 442' ' ' LEU . 6.1 mm -82.22 137.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.18 . . . . 65.01 109.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 397' ' ' PHE . 60.4 mt -110.77 122.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 71.32 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.508 ' CD1' ' CG1' ' A' ' 486' ' ' VAL . 12.3 mt -94.81 107.54 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 71.53 109.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.474 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 6.8 tp -73.09 96.73 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 72.11 109.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.445 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 5.5 mt -74.99 97.68 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 71.52 109.273 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.474 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 6.6 p -143.57 147.18 34.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 73.32 110.427 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -15.5 18.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.508 1.13 . . . . 72.45 109.987 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -85.64 -23.54 27.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 75.12 109.226 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 461' ' ' ASP . 50.0 t80 -108.11 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.52 110.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 19.8 m-20 -133.78 105.08 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 75.54 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 464' ' ' LEU . 8.2 p -63.64 -38.62 91.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 72.45 108.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -38.63 -31.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 64.44 110.389 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.8 OUTLIER -83.36 -66.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 75.21 109.352 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 468' ' ' GLN . 59.8 p -39.35 -62.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.058 . . . . 73.45 109.991 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.445 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 2.0 tm? -48.72 -40.24 27.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.4 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.2 OUTLIER -68.55 -29.59 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 75.12 109.615 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 465' ' ' SER . 79.8 mt-30 -75.03 -70.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.618 1.199 . . . . 71.21 110.28 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.478 ' CG2' ' CD1' ' A' ' 446' ' ' ILE . 2.8 p -44.91 -51.45 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 63.25 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.0 OUTLIER -40.23 -50.6 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 64.02 109.32 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.415 ' HA ' ' CG ' ' A' ' 474' ' ' MET . 14.0 mm-40 -70.89 -41.2 71.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 64.12 110.335 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 442' ' ' LEU . . . -60.38 -19.92 57.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 64.35 109.182 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.497 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 35.5 mtt -84.03 -54.12 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 74.04 111.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.415 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.7 OUTLIER -71.6 -3.87 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 73.43 111.033 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.436 ' OG ' ' NE2' ' A' ' 443' ' ' GLN . 76.4 p -80.86 -53.55 6.37 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.55 1.156 . . . . 73.22 110.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.444 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 11.2 p-10 -134.93 92.93 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 72.24 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 473' ' ' MET . 17.4 mt -89.94 -39.28 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.05 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.8 t -65.73 -10.08 33.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 74.41 110.474 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -78.52 -73.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 75.2 110.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.1 OUTLIER -113.21 -26.12 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.41 110.355 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 37.56 63.0 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 72.14 110.943 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.86 95.16 19.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 74.01 110.049 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.464 1.771 . . . . 75.51 110.972 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.21 43.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 63.33 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . 0.416 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 26.0 p -111.89 23.58 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 75.01 108.275 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 454' ' ' LEU . 3.7 t -119.02 119.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 75.42 109.25 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 513' ' ' LEU . 0.4 OUTLIER -120.33 101.34 46.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.43 109.253 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.2 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 70.43 111.077 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 412' ' ' VAL . 4.9 t80 -77.69 169.74 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 73.24 111.046 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.459 HD11 ' CD ' ' A' ' 496' ' ' PRO . 1.8 tt -157.07 103.42 1.9 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 65.41 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 174.13 13.33 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.568 1.826 . . . . 74.43 111.043 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 2.6 mp -79.43 -25.68 41.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.642 1.214 . . . . 71.01 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.34 -33.45 75.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 63.34 110.397 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.65 -179.58 3.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.485 1.116 . . . . 62.54 109.977 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.24 162.23 33.37 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 70.03 110.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . 0.459 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 -25.28 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 72.23 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -72.13 -24.55 61.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 60.43 109.205 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.6 -8.24 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 71.14 110.272 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.445 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 2.2 mt -100.34 163.73 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 70.15 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.5 t -74.4 161.18 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.581 1.176 . . . . 72.01 109.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 75.2 m -68.2 -8.76 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 62.2 109.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 505' ' ' SER . 9.1 m-20 -84.07 -34.26 24.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 64.41 109.306 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.486 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 15.7 m -44.35 -47.99 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.162 . . . . 64.43 110.402 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.6 -35.59 65.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 71.51 109.21 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.4 m -84.1 -22.03 31.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.34 110.05 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 97.4 mt -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 74.31 109.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.491 ' C ' ' CD2' ' A' ' 507' ' ' LEU . 0.0 OUTLIER -121.68 24.2 9.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.42 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.64 99.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 72.34 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 131.38 -24.12 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 54.42 111.095 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.464 ' CD1' ' HB ' ' A' ' 486' ' ' VAL . 39.5 mt -74.98 179.65 4.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.579 0.811 . . . . 65.05 109.309 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.78 102.09 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 75.51 109.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.7 125.31 24.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.607 1.192 . . . . 73.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.487 ' HB3' ' CD2' ' A' ' 489' ' ' PHE . 0.6 OUTLIER -96.1 129.08 43.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 71.04 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.68 133.58 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 72.34 109.359 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 14.8 tp10 -82.11 -23.33 35.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 75.53 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.47 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.2 OUTLIER -91.44 5.68 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 73.43 109.588 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.5 t -89.66 149.4 22.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 74.1 110.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -8.24 33.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 72.04 110.284 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.464 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.62 -25.53 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 75.42 109.276 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.4 OUTLIER -40.13 -35.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 64.51 110.989 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.02 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.13 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 519' ' ' ILE . 9.6 mpt_? -74.7 -19.52 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.54 110.205 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.464 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 14.5 mmmt -76.04 -40.06 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 75.3 109.229 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.472 HG21 ' CD2' ' A' ' 416' ' ' LEU . 1.4 p -80.16 -45.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 75.01 109.223 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.45 -11.43 42.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 73.52 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.8 m-20 -88.97 -57.05 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 73.24 109.226 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 527' ' ' THR . . . . . . . . . . . . . 5.9 t -69.98 -54.58 12.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 71.1 110.401 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.46 ' CE2' HD12 ' A' ' 487' ' ' ILE . 34.6 m-85 -86.9 41.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 72.3 111.019 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 17.3 mttm -40.44 154.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 74.34 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 64.23 111.063 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -59.27 -15.89 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 72.24 109.656 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 536' ' ' ARG . 0.7 OUTLIER -91.22 -42.71 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 75.11 110.25 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.446 HD21 ' CA ' ' A' ' 528' ' ' PHE . 0.3 OUTLIER -54.39 -47.15 73.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.23 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.57 -45.08 55.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 71.25 110.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 539' ' ' MET . . . -67.23 -10.22 48.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 74.41 109.212 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 539' ' ' MET . 22.7 tpt180 -56.2 -48.5 76.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 73.35 110.276 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.53 ' NZ ' ' CD2' ' A' ' 394' ' ' PHE . 0.0 OUTLIER -100.24 -5.44 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 73.5 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.481 ' HA ' ' CG ' ' A' ' 541' ' ' ARG . . . -101.32 -0.58 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 70.35 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 22.7 ptp -63.33 -37.39 87.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 71.54 111.032 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.45 ' N ' ' HG3' ' A' ' 539' ' ' MET . 36.3 m95 -77.98 -39.74 41.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.894 -1.15 . . . . 72.33 107.894 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 538' ' ' ALA . 21.0 mmt180 -38.47 -44.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 73.2 110.315 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.34 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.13 -27.87 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 63.32 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.08 -30.52 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 74.32 110.3 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.13 109.275 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.457 0.17 . . . . 72.51 110.99 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.57 126.27 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 72.14 110.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.3 m -113.83 20.78 15.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 71.54 109.986 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.2 m -133.33 20.01 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 61.14 110.047 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.7 t -93.92 171.67 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 65.35 110.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.46 179.53 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 63.1 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -114.76 100.2 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 70.32 110.279 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -148.2 141.52 25.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 70.34 109.262 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.484 ' O ' ' CG ' ' A' ' 394' ' ' PHE . 24.2 p90 -119.08 122.37 41.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 71.02 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.487 ' CZ ' ' HB1' ' A' ' 425' ' ' ALA . 3.5 m-30 -113.73 144.27 43.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 73.1 111.039 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.53 ' ND2' ' CA ' ' A' ' 424' ' ' GLY . 0.0 OUTLIER -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.535 1.147 . . . . 62.23 109.36 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.588 ' CE1' HG13 ' A' ' 399' ' ' ILE . 4.7 p90 -173.8 -177.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 72.13 111.066 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 1.6 t -135.14 93.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 73.01 109.35 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.588 HG13 ' CE1' ' A' ' 397' ' ' PHE . 93.6 mt -69.05 97.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 72.02 109.358 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.558 HD22 ' CD2' ' A' ' 427' ' ' PHE . 5.6 mt -80.54 95.06 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.52 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.526 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.5 p80 -123.15 173.14 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 71.22 109.566 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.452 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.47 -160.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 63.11 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -98.92 -15.01 19.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 73.32 110.294 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.4 16.58 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 71.15 109.351 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.27 28.01 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 72.34 109.375 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.526 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 24.7 tt0 -65.76 -77.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.23 110.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 408' ' ' ILE . 2.5 p-80 -39.46 -34.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 63.01 109.61 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 407' ' ' HIS . 64.7 mt -59.44 -53.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 74.23 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -67.37 -52.24 42.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 74.14 109.279 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 3.0 mt -47.8 -24.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 74.24 109.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -77.86 -38.86 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.34 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.568 HG23 ' CE1' ' A' ' 489' ' ' PHE . 3.1 t -68.35 -54.63 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 72.41 109.368 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.7 mtm180 -37.04 -47.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.1 110.303 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.4 mm-40 -74.74 -49.22 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.45 110.285 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -24.86 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 73.41 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.558 HD11 ' CE2' ' A' ' 397' ' ' PHE . 13.8 mt -75.68 -35.53 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.02 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.6 mt-10 -66.7 -8.37 27.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 75.44 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -92.06 -6.03 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 73.44 109.315 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.455 ' CD1' HG13 ' A' ' 524' ' ' VAL . 5.9 mt -117.73 -45.01 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 74.32 109.247 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 172.42 -71.79 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 65.23 111.026 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 416' ' ' LEU . 0.8 OUTLIER -46.73 137.64 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.606 0.827 . . . . 64.1 109.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.431 1.753 . . . . 71.43 111.062 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.472 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 7.1 p-10 -50.87 -47.75 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 75.41 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.53 ' CA ' ' ND2' ' A' ' 396' ' ' ASN . . . 86.45 -101.55 2.63 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.601 1.188 . . . . 72.34 111.015 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 395' ' ' TYR . . . 169.03 173.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 64.14 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.47 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 4.9 p -151.29 120.67 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 73.41 110.402 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.578 ' CE1' ' HG ' ' A' ' 439' ' ' LEU . 2.3 t80 -94.14 90.45 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 73.11 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.63 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 63.52 108.282 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 438' ' ' GLU . 23.5 tp10 -116.43 143.8 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.31 110.292 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 429' ' ' GLU . 12.5 t0 -40.16 106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 74.32 109.191 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -75.05 -2.05 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.43 110.991 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.67 -19.08 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 72.22 110.303 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 15.9 m -68.39 -179.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 75.02 109.303 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -56.09 -60.51 3.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.564 1.165 . . . . 73.22 109.559 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . 0.415 ' O ' ' CD2' ' A' ' 467' ' ' HIS . . . 120.93 47.94 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 73.03 111.012 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . 0.51 ' HD3' ' CE1' ' A' ' 467' ' ' HIS . 5.0 mmm180 -135.07 39.18 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 0.813 . . . . 75.42 110.366 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 90.44 115.06 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.594 1.184 . . . . 72.34 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 429' ' ' GLU . 8.3 mt-10 -92.7 -58.61 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 74.4 110.34 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.578 ' HG ' ' CE1' ' A' ' 427' ' ' PHE . 0.2 OUTLIER -88.92 148.89 23.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 72.22 109.329 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 16.3 t -65.1 -13.7 58.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 75.21 110.052 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.42 32.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.05 108.342 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' ' 442' ' ' LEU . 2.0 tm? -74.93 -67.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 63.11 109.308 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.428 ' CG ' HD13 ' A' ' 442' ' ' LEU . 19.0 mt-30 -70.99 -11.12 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 54.35 110.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.1 t70 -72.06 -13.73 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 72.05 109.279 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.402 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -87.38 -11.76 48.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 75.45 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.454 ' CD1' ' HB1' ' A' ' 472' ' ' ALA . 5.2 mt -98.03 -21.51 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 73.23 109.264 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -104.03 -43.82 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.197 . . . . 74.11 109.283 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 4.5 t-160 -78.7 -56.68 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 75.23 109.658 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -70.91 153.05 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 71.04 109.997 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.11 -69.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 71.54 109.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 14.7 m-85 -134.99 133.93 39.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.13 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . . . . . . . . . 13.2 mm -69.06 131.63 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 74.35 109.296 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.551 HD12 ' CD2' ' A' ' 397' ' ' PHE . 82.9 mt -105.92 125.12 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 75.03 109.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 456' ' ' LEU . 0.6 OUTLIER -107.28 91.28 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 75.33 109.206 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.481 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 9.1 tp -62.63 80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 74.24 109.326 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.468 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 8.5 mt -62.49 92.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.35 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.481 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 31.5 p -124.76 145.18 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.633 1.208 . . . . 75.21 110.345 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -18.67 5.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 75.21 110.051 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.7 -26.67 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 73.44 109.343 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 58.5 t80 -100.97 171.78 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 75.1 111.085 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 6.2 m-20 -123.97 127.16 47.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 72.21 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 464' ' ' LEU . 3.3 m -79.05 -50.15 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.44 108.376 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 16.7 mtp180 -38.73 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 75.42 110.411 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.2 tm? -74.26 -75.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 73.21 109.222 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.2 OUTLIER -41.77 -59.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 74.41 110.049 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -49.42 -36.36 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 72.13 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.51 ' CE1' ' HD3' ' A' ' 436' ' ' ARG . 6.7 t60 -76.11 -27.88 57.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 65.55 109.654 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 3.7 mt-30 -77.0 -66.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 72.31 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.47 HG23 ' CG2' ' A' ' 486' ' ' VAL . 7.1 p -47.36 -52.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 74.12 109.371 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.2 m-80 -40.4 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 73.21 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 17.8 mm-40 -48.87 -46.82 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 74.4 110.259 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.454 ' HB1' ' CD1' ' A' ' 446' ' ' ILE . . . -52.18 -40.19 61.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 54.21 109.228 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.42 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.4 mmt -70.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.04 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -14.53 9.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 73.21 111.047 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 41.9 t -91.94 -19.83 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.14 109.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.6 t30 -143.58 87.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 74.24 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 473' ' ' MET . 7.7 mt -111.02 -20.96 12.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.54 109.226 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.0 t -72.42 -4.13 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 73.22 110.361 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -74.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.55 110.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.45 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -116.17 -30.61 5.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 72.33 110.321 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 37.67 44.62 1.35 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 73.31 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.8 m -111.51 97.81 37.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.434 0.726 . . . . 53.42 109.979 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.09 0.3 9.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 72.41 110.99 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.5 15.78 20.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 73.12 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.12 37.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.43 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.497 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 13.6 t -121.58 141.56 41.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 73.1 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 5.4 mm -142.43 94.93 6.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 63.11 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . 0.406 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.564 1.823 . . . . 72.04 110.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.568 ' CE1' HG23 ' A' ' 412' ' ' VAL . 6.4 t80 -77.95 169.05 18.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 75.54 110.953 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.8 tm? -152.88 103.39 2.66 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.464 1.103 . . . . 70.01 109.211 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.88 40.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 63.31 110.973 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.528 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -69.89 -27.74 65.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 61.3 109.358 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.469 ' CB ' HD11 ' A' ' 408' ' ' ILE . 31.5 mm-40 -67.1 -28.24 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 73.22 110.28 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 29.7 m -117.61 175.73 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.22 110.016 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.32 165.56 18.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 72.41 110.038 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.77 6.87 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.435 1.755 . . . . 72.1 111.023 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.97 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.34 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.01 -6.09 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 75.55 110.394 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 12.6 mt -98.98 163.66 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 74.15 109.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 9.9 m -55.41 -179.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 74.14 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 7.4 t -86.21 -23.24 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 64.31 110.047 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 505' ' ' SER . 21.3 t0 -77.02 -33.38 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.22 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 507' ' ' LEU . 1.0 OUTLIER -43.64 -44.94 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.403 1.065 . . . . 75.11 110.358 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . 0.483 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -58.53 -37.25 75.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 62.33 109.304 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.6 t -82.31 -18.94 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 73.54 109.965 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 88.7 mt -71.71 -39.35 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 75.13 109.3 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.491 ' C ' ' CD2' ' A' ' 507' ' ' LEU . 0.0 OUTLIER -125.97 25.47 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 75.23 109.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' SER . . . . . 0.483 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.1 OUTLIER -54.44 -31.68 55.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.2 110.034 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.5 -30.87 5.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 71.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.462 ' CD1' HG11 ' A' ' 486' ' ' VAL . 8.2 mt -58.03 150.04 21.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 72.43 109.363 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 29.4 t -76.04 107.43 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 70.0 109.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.51 119.19 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 73.31 110.357 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.9 tp -102.06 142.88 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.24 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 2.2 m-20 -144.59 167.44 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.03 109.291 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.516 ' CD ' ' CD2' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -106.76 -4.75 19.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 70.0 110.239 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.447 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -110.09 31.43 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.44 109.541 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.9 t -122.56 129.95 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 72.32 109.99 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -76.9 -1.95 31.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.193 . . . . 73.22 110.231 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.46 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.8 -27.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 74.44 109.329 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.91 -35.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 72.44 111.033 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.29 -47.19 79.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 70.21 109.285 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.61 -20.16 60.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 72.41 110.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.46 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 27.9 mmmt -74.34 -44.4 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 73.21 109.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.455 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.3 p -76.34 -43.09 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 73.11 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -68.57 -8.78 44.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 71.01 109.34 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 7.4 m-20 -89.37 -50.25 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 72.11 109.252 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.565 HG21 ' CD2' ' A' ' 528' ' ' PHE . 10.0 t -85.19 -54.35 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 71.34 110.384 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.565 ' CD2' HG21 ' A' ' 527' ' ' THR . 67.6 m-85 -86.3 55.77 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 75.23 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.431 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 59.4 mttt -64.87 159.63 61.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 73.02 109.278 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 73.32 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.415 ' HA ' ' NE2' ' A' ' 534' ' ' GLN . 6.4 p-80 -76.27 -3.16 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 71.45 109.639 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 536' ' ' ARG . 11.4 tpt85 -101.9 -28.85 12.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 73.32 110.305 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.25 -52.89 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 71.11 109.215 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 538' ' ' ALA . 2.5 pt20 -67.64 -35.9 79.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 61.03 110.264 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.08 -35.53 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.12 109.304 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 13.2 tpt180 -77.97 -31.89 51.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 75.01 110.211 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -88.48 -16.7 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 73.22 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 534' ' ' GLN . . . -58.56 -28.98 66.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 75.23 109.338 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 74.4 mtm -68.69 -21.43 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.45 110.999 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -97.68 -30.76 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.967 -1.123 . . . . 75.52 107.967 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 544' ' ' GLN . 0.7 OUTLIER -64.32 -35.74 81.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 71.13 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 539' ' ' MET . 0.0 OUTLIER -48.12 -35.47 11.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 74.23 109.242 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.73 -29.45 45.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 74.02 110.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 541' ' ' ARG . 50.0 mm-40 -73.12 -32.49 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 75.11 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 75.13 109.266 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.512 0.196 . . . . 73.22 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -86.23 -178.24 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.41 110.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.3 m -100.72 61.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 74.52 110.032 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 7.8 t 56.35 47.99 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 75.4 109.96 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 26.1 p -86.27 83.98 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 75.12 110.03 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.56 -177.33 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 74.21 110.264 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . 0.597 ' O ' ' CE1' ' A' ' 394' ' ' PHE . 26.3 tt0 -152.78 151.91 31.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 75.42 110.238 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 123.65 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 64.15 109.3 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 392' ' ' GLN . 2.7 m-85 -105.43 171.49 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 74.45 111.013 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -103.38 168.61 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 73.32 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.495 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.5 m-80 -111.54 -14.11 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 74.13 109.243 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.704 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 7.4 p90 -171.7 124.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.065 . . . . 72.44 111.02 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.511 ' CG2' ' CB ' ' A' ' 427' ' ' PHE . 1.2 p -88.55 112.24 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.03 109.361 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.464 ' CG2' ' HB1' ' A' ' 409' ' ' ALA . 47.4 mt -83.4 105.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 74.51 109.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 0.7 OUTLIER -86.49 121.84 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 75.35 109.344 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.1 p80 -152.56 -173.17 4.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 72.2 109.605 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -85.54 -159.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 74.22 109.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -99.25 -14.88 19.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 73.23 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.51 17.11 23.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 74.13 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.502 ' OD1' ' CG2' ' A' ' 457' ' ' THR . 0.5 OUTLIER -124.45 27.67 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.11 109.307 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 33.0 tt0 -64.46 -72.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 75.42 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 27.5 p-80 -41.44 -36.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.02 109.6 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.46 HD12 ' CB ' ' A' ' 493' ' ' GLU . 56.6 mt -59.11 -49.69 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 60.43 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' ' 399' ' ' ILE . . . -70.4 -57.27 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.44 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.5 mp -52.46 -21.4 3.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 73.31 109.294 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 6.6 ttt85 -79.11 -31.94 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 74.22 110.253 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 416' ' ' LEU . 3.3 t -79.32 -47.94 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 75.2 109.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.477 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.5 mtm180 -37.86 -49.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 75.25 110.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 417' ' ' GLU . 8.0 mm-40 -73.28 -52.59 13.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.617 1.198 . . . . 65.15 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.1 OUTLIER -48.77 -23.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 73.33 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.609 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 44.8 mt -78.84 -39.44 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.54 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 414' ' ' GLU . 2.8 mt-10 -65.78 -9.31 27.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.54 110.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -87.74 -6.73 58.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 65.33 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.442 ' CD1' HG13 ' A' ' 524' ' ' VAL . 4.0 mt -119.34 -45.11 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.396 1.06 . . . . 74.22 109.263 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 179.13 -78.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 54.41 111.016 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.704 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.82 138.06 1.08 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 65.11 109.232 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 70.43 110.927 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.516 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 10.2 p-10 -62.22 -42.84 99.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 73.22 109.308 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.77 -96.84 1.32 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.44 1.088 . . . . 75.34 111.042 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.05 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 0.822 . . . . 72.22 109.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.0 p -152.18 117.63 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 74.33 110.384 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.601 ' CE1' ' CD2' ' A' ' 439' ' ' LEU . 1.5 t80 -107.17 92.97 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 75.35 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 401' ' ' HIS . 14.2 p -101.68 167.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 74.23 108.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . 0.435 ' OE2' ' NH2' ' A' ' 436' ' ' ARG . 41.6 tt0 -98.9 118.18 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 72.43 110.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 144.67 45.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 73.42 109.359 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -110.81 2.35 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 74.44 110.901 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -76.29 -26.5 55.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 70.5 110.34 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 27.1 m -70.08 174.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 74.23 109.284 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -52.57 -38.07 59.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 73.23 109.596 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 173.58 -135.32 3.2 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.611 1.195 . . . . 62.34 110.904 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . 0.435 ' NH2' ' OE2' ' A' ' 429' ' ' GLU . 12.1 mmt180 -96.63 29.14 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 73.01 110.287 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -92.61 21.49 38.41 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.436 1.085 . . . . 73.2 111.049 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.99 -71.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.379 0.693 . . . . 73.14 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.601 ' CD2' ' CE1' ' A' ' 427' ' ' PHE . 2.1 pp -134.25 158.12 44.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 74.4 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.4 t -53.15 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 75.23 109.98 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . . . . . . . . . 5.7 t -154.06 165.57 35.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 75.52 108.383 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -52.34 -27.68 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 75.33 109.321 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.414 ' N ' HD13 ' A' ' 442' ' ' LEU . 7.3 mt-30 -45.73 -25.33 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 74.12 110.285 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.24 -44.78 95.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 60.23 109.344 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.545 ' CB ' ' CD1' ' A' ' 452' ' ' ILE . . . -66.28 -28.64 68.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 73.51 109.297 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.47 HG13 ' CG1' ' A' ' 452' ' ' ILE . 19.2 mt -78.57 -7.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 74.42 109.245 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -104.21 -42.96 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 74.13 109.378 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -96.6 -54.87 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 71.14 109.62 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.7 OUTLIER -70.62 148.35 48.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 70.43 109.968 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.39 -76.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.519 1.137 . . . . 75.35 109.267 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -119.9 132.33 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.24 110.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.545 ' CD1' ' CB ' ' A' ' 445' ' ' ALA . 33.2 mm -69.24 127.52 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.22 109.341 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.517 HD13 ' CD2' ' A' ' 397' ' ' PHE . 10.5 mt -103.49 112.58 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 75.34 109.239 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 486' ' ' VAL . 1.0 OUTLIER -94.61 103.91 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 75.15 109.374 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.487 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 6.7 tp -69.76 79.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 74.05 109.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 507' ' ' LEU . 6.1 mt -58.93 93.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 74.52 109.351 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.502 ' CG2' ' OD1' ' A' ' 405' ' ' ASP . 27.6 p -127.22 148.0 50.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 74.24 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.459 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.8 p -57.77 -16.57 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 72.33 110.016 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.99 -23.28 20.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.368 1.043 . . . . 75.52 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.594 ' CE2' ' OG ' ' A' ' 465' ' ' SER . 38.1 t80 -110.19 166.33 11.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 72.32 111.005 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 41.9 m-20 -104.23 137.76 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 74.43 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 19.2 p -94.07 -46.3 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 71.12 108.408 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 19.7 mtm105 -45.19 -59.84 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 74.11 110.323 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 468' ' ' GLN . 2.9 tm? -49.79 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 62.41 109.243 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.594 ' OG ' ' CE2' ' A' ' 460' ' ' PHE . 1.0 OUTLIER -36.97 -54.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 74.44 109.963 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.416 HD12 ' ND2' ' A' ' 470' ' ' ASN . 1.7 tm? -54.98 -50.3 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 72.22 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 464' ' ' LEU . 3.4 m-70 -49.44 -57.23 7.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 72.22 109.649 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.502 ' OE1' ' CD1' ' A' ' 464' ' ' LEU . 82.1 mt-30 -50.0 -63.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 73.12 110.292 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.464 ' CG1' ' HE1' ' A' ' 473' ' ' MET . 20.0 t -43.74 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.04 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLN . 1.8 m-80 -40.39 -68.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 72.21 109.387 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 475' ' ' SER . 3.0 mm100 -37.48 -45.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.41 110.231 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.464 ' CB ' HD13 ' A' ' 446' ' ' ILE . . . -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 53.24 109.197 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.464 ' HE1' ' CG1' ' A' ' 469' ' ' VAL . 2.6 mtt -51.74 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.532 1.145 . . . . 61.31 111.089 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 471' ' ' GLN . 1.0 OUTLIER -47.77 -22.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 74.22 111.006 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 14.5 t -82.17 -34.59 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.32 110.042 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 473' ' ' MET . 52.7 t30 -129.55 89.81 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 74.03 109.312 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 9.9 mt -112.36 -20.55 11.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 74.3 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.9 t -74.36 -1.75 22.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.5 1.125 . . . . 63.15 110.316 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -74.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 72.52 110.308 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -116.15 -31.04 5.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 70.44 110.187 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 41.58 44.96 4.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 75.31 111.054 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.7 m -110.32 99.29 39.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 72.34 110.038 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.411 1.743 . . . . 75.11 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -94.89 20.64 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.44 109.285 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 74.7 m -93.6 21.32 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 74.41 108.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.484 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 11.1 t -112.73 126.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.23 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.602 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 2.1 mm -137.3 90.38 15.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.083 . . . . 75.45 109.357 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 103.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 75.4 110.958 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.41 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 6.8 t80 -77.86 164.99 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 75.54 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -141.93 98.79 6.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.24 109.299 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.446 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -74.98 149.08 36.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 63.13 111.0 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.508 ' CD2' ' HB3' ' A' ' 515' ' ' GLU . 1.7 mt -61.79 -21.31 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 72.24 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.46 ' CB ' HD12 ' A' ' 408' ' ' ILE . 50.6 mm-40 -72.53 -18.58 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 64.31 110.313 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 16.0 m -130.37 177.98 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 72.35 110.022 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.36 162.42 32.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 70.13 109.979 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . 0.408 ' HB3' ' NH1' ' A' ' 512' ' ' ARG . 18.5 Cg_endo -74.89 -31.9 6.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 74.13 111.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.89 70.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.23 109.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.459 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 3.0 mt-30 -67.58 -11.64 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 72.54 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.439 HD11 ' CG2' ' A' ' 503' ' ' THR . 1.6 mt -98.82 167.73 10.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 73.34 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.7 m -64.55 156.48 29.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 73.02 109.96 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 37.4 t -65.96 -10.53 40.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 73.13 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -80.96 -30.02 35.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 70.3 109.24 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.496 ' O ' ' CD2' ' A' ' 507' ' ' LEU . 29.8 m -48.15 -49.82 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 74.32 110.443 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -45.45 -32.46 2.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 64.14 109.334 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 10.8 t -90.04 -29.98 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 70.24 110.047 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 92.7 mt -57.03 -38.32 72.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 65.13 109.366 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 503' ' ' THR . 0.2 OUTLIER -100.3 16.94 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.42 109.288 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 12.4 t -51.89 105.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 74.25 110.025 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 89.88 -31.57 5.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 73.34 111.049 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 486' ' ' VAL . 9.8 mt -47.42 172.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 0.748 . . . . 73.35 109.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 487' ' ' ILE . 75.6 t -108.7 99.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 73.31 109.216 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.408 ' NH1' ' HB3' ' A' ' 496' ' ' PRO . 12.0 ttp180 -94.71 133.95 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.609 1.193 . . . . 63.14 110.295 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.602 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -105.29 161.24 14.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 75.42 109.179 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.6 m-20 -145.38 133.75 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.45 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.508 ' HB3' ' CD2' ' A' ' 492' ' ' LEU . 5.3 tp10 -79.38 3.43 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.02 110.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.568 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 1.2 p-80 -124.67 38.57 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 71.44 109.601 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.7 t -133.51 126.54 31.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 63.53 109.947 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -75.76 -0.85 22.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.51 110.312 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.46 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.59 -27.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 74.34 109.32 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 513' ' ' LEU . 1.4 t80 -40.24 -34.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 75.23 110.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 74.44 109.335 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.71 -21.84 60.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.02 110.238 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.46 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 28.2 mmmt -72.73 -46.1 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 74.13 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 416' ' ' LEU . 1.2 p -74.79 -45.79 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 71.14 109.309 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -65.11 -10.85 33.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 72.41 109.287 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.9 m-20 -86.23 -53.0 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.634 1.209 . . . . 72.45 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.429 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 8.4 t -78.98 -55.44 5.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 73.11 110.413 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.429 ' N ' ' CG2' ' A' ' 527' ' ' THR . 31.4 m-85 -82.32 56.93 3.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 71.44 111.059 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 533' ' ' LEU . 41.6 mttt -72.94 158.51 87.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 75.42 109.228 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -33.94 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 74.04 111.061 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.469 ' NE2' ' CD ' ' A' ' 532' ' ' ARG . 8.9 p-80 -69.42 -11.49 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 73.01 109.641 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.469 ' CD ' ' NE2' ' A' ' 531' ' ' HIS . 19.3 mmm180 -101.74 -38.2 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 75.34 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? -66.35 -55.71 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.41 109.218 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.408 ' NE2' ' HA ' ' A' ' 531' ' ' HIS . 3.4 pt20 -58.26 -39.3 78.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 72.3 110.206 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.418 ' HA ' ' CB ' ' A' ' 538' ' ' ALA . . . -70.53 -8.2 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 73.22 109.288 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 533' ' ' LEU . 2.4 tpm_? -72.28 -42.05 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.4 110.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 539' ' ' MET . 22.4 pttt -96.68 -14.16 22.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.413 1.071 . . . . 73.14 109.372 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.418 ' CB ' ' HA ' ' A' ' 535' ' ' ALA . . . -46.33 -25.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 70.25 109.378 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.418 ' HE3' ' NH1' ' A' ' 536' ' ' ARG . 3.6 mpp? -69.4 -49.82 51.75 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 71.5 110.948 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -72.72 -23.28 60.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.078 -1.082 . . . . 64.02 108.078 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 544' ' ' GLN . 33.9 mtp85 -69.04 -37.8 78.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 75.43 110.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 541' ' ' ARG . 0.1 OUTLIER -40.53 -36.01 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 72.35 109.307 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.29 -50.09 67.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 75.23 110.226 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 541' ' ' ARG . 40.7 mm-40 -68.66 -22.19 64.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 74.41 110.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 71.45 109.289 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.6 ptp . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.487 0.184 . . . . 73.43 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.7 105.25 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 64.4 110.222 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 84.3 p -102.67 15.72 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 71.23 110.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 20.6 m -128.81 18.17 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 74.13 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 7.3 t -52.21 141.03 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 54.15 110.077 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -86.66 178.76 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 65.21 110.233 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . 0.405 HE21 ' N ' ' A' ' 392' ' ' GLN . 0.2 OUTLIER -121.65 177.25 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 72.45 110.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 395' ' ' TYR . 1.3 tppp? -113.54 156.04 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 75.11 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.429 ' CZ ' ' OD1' ' A' ' 396' ' ' ASN . 1.3 t80 -87.43 121.67 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.428 1.08 . . . . 73.24 111.062 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 393' ' ' LYS . 10.9 m-85 -119.85 161.11 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 74.05 111.022 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.464 ' ND2' ' CD1' ' A' ' 533' ' ' LEU . 9.9 m-20 -114.72 -11.79 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 65.11 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.709 ' CE2' ' CD1' ' A' ' 416' ' ' LEU . 27.9 p90 -179.84 113.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 74.03 111.051 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.6 t -81.09 109.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 65.24 109.332 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 87.7 mt -77.95 95.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 74.14 109.358 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 427' ' ' PHE . 15.7 tp -78.24 112.21 14.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 71.25 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 20.1 p80 -138.08 -162.51 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.456 1.097 . . . . 74.13 109.707 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.468 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -93.55 -159.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 74.52 109.205 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.507 ' NH2' ' CZ ' ' A' ' 431' ' ' PHE . 0.1 OUTLIER -99.14 -23.36 15.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 62.11 110.385 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -102.59 17.07 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 74.3 109.285 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.27 28.32 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 72.44 109.28 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.573 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 34.2 tt0 -66.12 -76.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 73.24 110.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.489 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.1 p-80 -38.22 -37.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 74.25 109.611 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.489 HG13 ' CE1' ' A' ' 407' ' ' HIS . 28.4 mt -56.25 -54.82 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.01 109.334 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.42 -44.52 90.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.526 1.141 . . . . 72.22 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 11.5 mt -60.91 -25.14 66.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 71.01 109.279 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -79.2 -12.75 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.42 110.372 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -96.32 -52.89 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 73.03 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.479 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.3 mtm180 -36.71 -42.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 75.13 110.335 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 415' ' ' LYS . 29.6 mt-10 -73.03 -60.67 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 55.31 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.78 -48.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 75.12 109.245 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.709 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 98.5 mt -47.94 -57.2 6.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 64.43 109.359 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.53 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.51 110.262 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 416' ' ' LEU . . . -64.04 -54.1 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.378 1.048 . . . . 75.24 109.241 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' A' ' 524' ' ' VAL . 1.1 mt -67.77 -45.26 75.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 75.45 109.317 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.36 -67.77 0.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 60.23 111.063 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.702 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.09 138.15 0.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 62.53 109.255 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 70.04 110.944 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.585 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -64.35 -42.03 96.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.51 109.267 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.511 ' O ' ' CB ' ' A' ' 425' ' ' ALA . . . 78.17 -95.38 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 64.31 111.002 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 162.77 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 73.3 109.317 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -151.98 139.87 20.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 73.23 110.463 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 400' ' ' LEU . 24.1 t80 -119.34 151.42 38.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 75.12 110.989 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.65 153.32 30.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 74.02 108.278 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -79.96 -173.35 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.14 110.283 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -71.58 101.35 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 71.1 109.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . 0.507 ' CZ ' ' NH2' ' A' ' 403' ' ' ARG . 52.0 t80 -70.49 68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.399 1.062 . . . . 73.43 110.972 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 64.45 14.31 8.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 71.53 110.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 18.2 m -89.79 165.48 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 75.24 109.385 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -48.31 -37.84 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 75.41 109.656 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.01 2.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.562 1.164 . . . . 64.55 110.924 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -129.73 42.16 3.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 74.24 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 67.5 64.71 3.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 74.42 111.024 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -66.41 -50.65 62.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 61.03 110.332 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.497 ' CD1' ' C ' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -104.71 -169.87 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 75.43 109.283 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.6 m -112.92 -16.03 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 75.44 109.986 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.436 ' N ' HD11 ' A' ' 439' ' ' LEU . 42.7 t -42.21 -48.58 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 73.24 108.236 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.488 HD21 ' CE2' ' A' ' 427' ' ' PHE . 1.6 tm? -40.45 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 75.14 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 447' ' ' ASP . 29.8 mm-40 -61.92 -17.74 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.01 110.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.423 ' CB ' ' HA ' ' A' ' 441' ' ' CYS . 8.2 t0 -71.62 -5.61 34.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 72.32 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.496 ' CB ' HD12 ' A' ' 452' ' ' ILE . . . -92.82 -36.34 12.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 70.53 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 446' ' ' ILE . 0.1 OUTLIER -101.56 2.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 74.03 109.304 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 443' ' ' GLN . 80.9 m-20 -102.02 -48.97 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 65.2 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -138.53 67.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 64.44 109.557 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -162.07 114.95 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 74.14 110.045 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.539 ' HB3' ' CD1' ' A' ' 451' ' ' PHE . . . -39.26 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.486 1.116 . . . . 75.24 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.539 ' CD1' ' HB3' ' A' ' 450' ' ' ALA . 14.3 m-85 -127.47 142.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 71.33 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.496 HD12 ' CB ' ' A' ' 445' ' ' ALA . 12.5 mm -79.46 131.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.52 109.369 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.461 HD13 ' CZ ' ' A' ' 528' ' ' PHE . 7.6 mt -109.14 113.72 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.093 . . . . 73.32 109.333 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 486' ' ' VAL . 1.2 mm? -97.81 106.39 18.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 74.21 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 457' ' ' THR . 11.5 tp -67.07 94.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 74.14 109.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 456' ' ' LEU . 4.8 mt -76.24 96.27 3.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 74.11 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.468 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 1.6 p -136.96 156.31 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 75.32 110.38 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -10.75 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.01 110.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 402' ' ' ALA . 8.3 m120 -95.46 -4.64 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 65.15 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 400' ' ' LEU . 48.0 t80 -125.64 170.59 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 75.12 110.993 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 0.6 OUTLIER -120.39 117.56 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 74.23 109.283 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 463' ' ' ARG . 4.8 m -68.25 -48.52 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.45 108.225 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 467' ' ' HIS . 12.9 mtt-85 -38.35 -58.08 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 64.4 110.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 467' ' ' HIS . 1.7 tm? -58.5 -54.7 44.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 64.53 109.218 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.46 ' HA ' ' CD2' ' A' ' 400' ' ' LEU . 0.6 OUTLIER -38.71 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 72.45 110.061 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.9 tm? -85.06 -50.49 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 74.35 109.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 463' ' ' ARG . 1.7 m-70 -51.79 -28.79 16.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 71.44 109.674 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.435 ' C ' ' N ' ' A' ' 470' ' ' ASN . 32.5 mt-30 -78.93 -77.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 61.54 110.249 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.1 p -40.09 -30.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 74.42 109.377 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 468' ' ' GLN . 0.7 OUTLIER -57.87 -74.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 65.34 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.509 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.4 mm100 -41.01 -47.17 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 73.14 110.367 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -52.94 -53.91 42.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 73.54 109.264 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 54.0 mtt -52.45 -70.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.4 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.466 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.17 -17.5 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 75.43 111.054 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.2 t -83.04 -28.28 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.13 110.016 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.2 t30 -139.08 88.56 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 72.21 109.286 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -111.55 -20.45 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 64.34 109.336 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.6 t -74.92 -1.4 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 74.45 110.353 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -103.28 -73.5 0.66 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 74.3 110.332 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 0.4 OUTLIER -115.39 -33.58 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.2 110.253 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.08 44.8 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 74.14 110.909 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 66.8 m -109.93 99.77 40.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 74.53 110.079 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . 0.465 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.08 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.598 1.841 . . . . 74.31 110.953 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -100.85 13.23 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 74.34 109.256 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 7.9 m -93.08 42.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 73.33 108.34 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.469 ' O ' ' CD1' ' A' ' 487' ' ' ILE . 58.4 t -121.72 131.95 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 75.52 109.296 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 486' ' ' VAL . 2.4 mm -136.01 98.06 11.94 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 75.05 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 74.54 111.005 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -77.74 169.22 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 75.31 111.006 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 2.8 tp -151.81 101.89 2.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 73.24 109.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.405 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 149.53 36.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 65.34 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.498 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.2 mp -56.71 -32.93 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 74.4 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -54.26 -33.35 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 74.52 110.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.406 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -116.26 -177.43 3.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 71.34 110.037 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' ' 498' ' ' GLN . 0.5 OUTLIER -147.51 165.36 19.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 70.12 110.032 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.9 -31.18 6.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.578 1.831 . . . . 75.1 110.968 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.18 69.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 73.15 109.249 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . 0.411 ' HG3' ' CB ' ' A' ' 495' ' ' SER . 3.4 mt-30 -71.51 -5.18 31.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 73.52 110.273 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.91 163.75 12.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 73.31 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 7.1 p -71.08 154.97 41.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 72.43 110.001 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 8.3 t -65.76 -11.2 43.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 74.54 109.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.9 OUTLIER -84.72 -37.03 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 72.12 109.303 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' THR . . . . . . . . . . . . . 2.2 m -42.4 -27.52 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 72.21 110.433 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -71.56 -49.07 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 72.3 109.234 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 3.8 m -74.23 -17.72 60.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 70.34 109.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 62.0 mt -74.7 -33.05 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.618 1.199 . . . . 74.14 109.22 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . . . . . . . . . 3.5 pp -111.55 16.31 20.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 71.22 109.284 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.1 t -50.58 100.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 73.54 109.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.68 -38.29 2.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 74.41 111.04 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.442 ' CD1' HG11 ' A' ' 486' ' ' VAL . 28.7 mt -51.43 179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 73.21 109.334 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 38.5 t -112.75 92.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 71.15 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -52.95 107.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 72.33 110.24 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.477 ' CD1' ' CB ' ' A' ' 523' ' ' LYS . 5.7 tp -96.49 132.78 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 72.54 109.311 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.57 167.67 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.31 109.312 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.498 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 7.4 tp10 -113.75 -10.8 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 72.12 110.395 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -99.44 -12.81 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 72.51 109.55 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.35 133.0 38.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 72.13 110.02 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.4 pt20 -78.74 2.46 19.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.14 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.46 HD12 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.08 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 74.01 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.4 t80 -40.78 -34.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 74.31 111.036 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.9 -47.09 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 75.11 109.275 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 519' ' ' ILE . 8.8 mpt_? -75.18 -19.31 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 74.53 110.264 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.477 ' CB ' ' CD1' ' A' ' 513' ' ' LEU . 28.7 mmmt -74.56 -44.22 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.42 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.467 HG13 ' CD1' ' A' ' 419' ' ' LEU . 1.1 p -73.29 -40.68 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 75.02 109.328 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.73 -3.95 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 73.5 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.0 m-20 -95.22 -38.75 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 73.2 109.268 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.476 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.0 t -95.97 -54.21 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 74.44 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 453' ' ' ILE . 54.4 m-85 -85.92 50.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 71.42 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 30.7 mttt -61.37 160.05 26.92 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 62.44 109.23 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -32.71 5.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.587 1.835 . . . . 64.13 110.945 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.466 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 1.3 p-80 -70.33 -8.65 52.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 71.44 109.579 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 536' ' ' ARG . 29.4 mmm180 -101.47 -54.42 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 71.43 110.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.464 ' CD1' ' ND2' ' A' ' 396' ' ' ASN . 1.6 mm? -46.24 -61.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 74.43 109.345 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.415 ' O ' ' N ' ' A' ' 538' ' ' ALA . 3.2 pt20 -50.82 -40.33 55.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 74.52 110.316 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.37 61.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 73.21 109.362 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 532' ' ' ARG . 0.0 OUTLIER -82.81 -32.44 27.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.42 110.265 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 541' ' ' ARG . 4.8 pttp -97.83 -5.84 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.2 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.455 ' HA ' ' CD ' ' A' ' 541' ' ' ARG . . . -56.05 -18.78 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.44 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 20.0 mtm -98.43 -17.27 18.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 75.14 110.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -101.17 -9.77 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 72.4 108.069 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.455 ' CD ' ' HA ' ' A' ' 538' ' ' ALA . 10.7 ptm180 -85.65 -21.64 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.02 110.296 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -53.25 -21.04 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 74.15 109.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -98.08 -22.52 16.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 64.44 110.312 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.424 ' CG ' ' HA ' ' A' ' 541' ' ' ARG . 35.8 mm-40 -76.34 -45.46 32.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.31 110.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 16.5 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 63.43 109.315 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.561 0.219 . . . . 73.54 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -91.5 151.3 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 74.52 110.329 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 25.0 m -95.2 86.08 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.44 110.048 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 3.2 m 46.37 53.86 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 70.31 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.79 47.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 75.54 109.995 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.31 177.41 8.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 72.52 110.316 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -110.01 147.86 32.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 74.01 110.36 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -49.12 153.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 73.21 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.555 ' CE1' ' CZ3' ' A' ' 540' ' ' TRP . 7.1 p90 -106.88 131.94 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 75.15 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 1.1 m-30 -102.38 171.82 7.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.24 110.958 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.505 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 8.4 m-80 -112.61 -11.35 13.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 72.01 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.714 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 27.4 p90 -178.71 112.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 71.25 110.976 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.503 ' O ' ' CG1' ' A' ' 398' ' ' VAL . 0.3 OUTLIER -78.23 115.17 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 75.3 109.314 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 427' ' ' PHE . 56.8 mt -87.09 121.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 62.55 109.263 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.9 mm? -93.48 91.07 6.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 75.33 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.6 ' CE1' ' O ' ' A' ' 402' ' ' ALA . 3.1 p80 -116.24 176.86 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.646 1.216 . . . . 73.2 109.593 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 401' ' ' HIS . . . -85.85 -158.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.31 109.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -98.6 -20.24 17.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 71.12 110.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.55 16.55 23.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 73.15 109.284 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -121.27 26.06 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 64.43 109.27 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.563 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 29.0 tt0 -61.06 -74.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 71.33 110.242 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 22.1 p-80 -42.2 -34.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 74.33 109.557 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.459 HD13 ' CB ' ' A' ' 493' ' ' GLU . 55.8 mt -60.53 -48.91 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 74.24 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.06 -58.14 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 73.12 109.258 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 8.7 mp -49.92 -23.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 75.5 109.236 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 1.3 tmm_? -76.26 -35.08 59.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 75.2 110.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.503 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.8 t -75.3 -54.76 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 74.41 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.0 mtm180 -33.09 -45.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.51 110.394 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -70.89 -61.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 75.2 110.274 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.403 ' NZ ' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -38.78 -53.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.13 109.32 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.576 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 87.8 mt -40.26 -57.14 1.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 74.51 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 416' ' ' LEU . 9.9 mt-10 -36.15 -43.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 74.21 110.378 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.8 -53.46 39.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 71.31 109.382 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.47 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.47 -45.98 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 71.51 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.84 -68.77 0.19 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 63.11 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.714 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.08 137.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 74.15 109.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 73.33 111.04 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.549 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 4.9 p-10 -65.48 -40.45 93.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 74.34 109.274 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 74.34 -96.28 0.9 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 65.41 110.974 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.485 ' C ' ' CG2' ' A' ' 426' ' ' THR . . . 166.44 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 74.02 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.4 p -152.29 108.24 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 75.44 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.578 ' CE1' ' O ' ' A' ' 428' ' ' CYS . 1.2 t80 -87.3 105.95 17.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 70.11 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.578 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 3.9 m -71.7 166.85 21.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 63.54 108.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . 0.494 ' OE1' ' CD1' ' A' ' 464' ' ' LEU . 11.7 pt-20 -127.41 -175.65 3.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 73.34 110.241 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.424 ' N ' ' OE1' ' A' ' 438' ' ' GLU . 50.0 m-20 -149.96 113.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 62.42 109.242 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -14.58 62.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 74.25 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.9 -26.63 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 64.11 110.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 12.5 m -95.54 172.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.24 109.39 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -60.06 -54.81 41.55 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 73.24 109.57 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 114.71 53.6 0.41 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 72.43 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -132.02 11.73 4.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 0.726 . . . . 74.33 110.337 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 126.52 104.97 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.593 1.183 . . . . 74.32 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . 0.424 ' OE1' ' N ' ' A' ' 430' ' ' ASP . 16.7 mt-10 -90.94 -49.73 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 0.811 . . . . 74.11 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 427' ' ' PHE . 0.1 OUTLIER -85.48 8.57 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 61.11 109.28 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 19.5 m 40.68 58.17 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 73.15 109.976 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.463 ' N ' HD13 ' A' ' 439' ' ' LEU . 0.5 OUTLIER -177.93 38.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 71.21 108.292 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.44 ' CD2' ' CE2' ' A' ' 427' ' ' PHE . 1.1 tm? -84.79 -43.77 13.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 73.44 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -74.48 -8.69 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 74.31 110.294 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 0.2 OUTLIER -84.01 -15.93 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 64.22 109.328 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.484 ' O ' ' CB ' ' A' ' 449' ' ' SER . . . -83.0 -14.96 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.34 109.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 1.3 tt -82.11 -28.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 74.24 109.262 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.24 -27.54 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 73.45 109.307 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 5.3 t-160 -95.94 26.37 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.34 109.614 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -161.25 162.47 31.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 74.35 110.022 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -68.4 -72.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.2 109.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -133.89 139.57 46.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.42 110.892 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.478 ' CG2' HG11 ' A' ' 398' ' ' VAL . 17.9 mm -78.7 130.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 74.33 109.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 397' ' ' PHE . 77.0 mt -109.19 121.98 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.3 109.279 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . . . . . . . . . 17.4 mt -97.48 98.7 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 65.41 109.309 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . . . . . . . . . 8.5 tp -69.83 79.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 73.53 109.277 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.475 ' CD1' HD12 ' A' ' 507' ' ' LEU . 4.9 mt -68.94 106.86 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.22 109.209 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.424 HG21 ' CD ' ' A' ' 491' ' ' PRO . 70.6 p -137.9 154.19 49.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 71.43 110.38 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 39.9 p -59.21 -15.69 16.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 73.31 109.959 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.27 -20.08 20.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.43 109.233 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 51.6 t80 -114.45 171.59 7.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 74.31 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.592 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.6 m-20 -116.9 143.21 45.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.42 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.59 -54.37 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 72.24 108.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -38.88 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 73.25 110.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.494 ' CD1' ' OE1' ' A' ' 429' ' ' GLU . 2.0 tm? -75.34 -75.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 74.33 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 464' ' ' LEU . 0.3 OUTLIER -39.11 -52.68 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 71.55 110.032 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.441 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.5 tm? -54.9 -45.88 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 73.23 109.248 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.544 ' CE1' ' OE1' ' A' ' 471' ' ' GLN . 7.0 t60 -57.63 -55.38 35.54 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.477 1.111 . . . . 71.41 109.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 469' ' ' VAL . 3.8 mt-30 -57.99 -69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 74.3 110.306 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.501 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.7 OUTLIER -39.67 -49.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 74.14 109.344 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.501 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.0 OUTLIER -48.34 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 73.4 109.302 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.544 ' OE1' ' CE1' ' A' ' 467' ' ' HIS . 4.2 mt-30 -39.51 -45.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 62.02 110.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 476' ' ' ASN . . . -46.49 -57.07 5.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.24 109.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.544 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 57.1 mtt -45.87 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 71.11 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.453 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.01 -17.71 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 74.24 110.98 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 19.2 m -82.63 -28.4 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 73.51 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 472' ' ' ALA . 48.4 t30 -141.18 90.6 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 65.2 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 8.0 mt -112.52 -21.09 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 64.31 109.213 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.1 t -75.99 0.28 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 71.1 110.383 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.421 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 14.2 mmt-85 -107.03 -72.91 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.12 110.233 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.2 OUTLIER -116.63 -34.96 4.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 74.55 110.316 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.444 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 39.43 56.92 2.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.607 1.192 . . . . 75.5 111.062 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.1 t -111.21 98.15 38.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 72.04 110.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 72.2 110.991 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -113.84 38.34 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.54 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.0 m -112.31 22.52 14.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 53.01 108.254 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.544 ' CG2' ' CE ' ' A' ' 473' ' ' MET . 2.0 t -107.69 114.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 71.43 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 513' ' ' LEU . 1.4 mm -122.67 98.41 43.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 74.31 109.378 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . 0.42 ' HG3' ' CB ' ' A' ' 507' ' ' LEU . 18.2 Cg_endo -75.02 102.67 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 75.42 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.503 ' CE1' HG21 ' A' ' 412' ' ' VAL . 6.8 t80 -86.74 149.94 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.2 110.955 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . 0.423 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.8 tm? -139.7 103.74 6.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 64.41 109.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.424 ' CD ' HG21 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.05 171.81 17.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 73.54 110.998 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 3.0 mp -75.89 -29.44 58.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 74.52 109.235 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.459 ' CB ' HD13 ' A' ' 408' ' ' ILE . 53.2 mm-40 -62.07 -29.69 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 71.44 110.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 491' ' ' PRO . 4.5 m -123.94 174.33 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 72.44 110.019 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' SER . . . . . 0.423 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.2 164.17 24.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 65.43 109.935 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -34.76 3.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 73.41 110.999 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -57.45 -36.55 71.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 71.13 109.355 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.54 -20.94 66.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.41 110.271 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.428 ' CD1' HG23 ' A' ' 503' ' ' THR . 4.7 mt -86.74 169.94 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 75.42 109.242 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.6 m -61.97 152.52 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 1.113 . . . . 73.34 109.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 68.1 m -61.06 -14.52 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 72.43 109.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 505' ' ' SER . 3.1 m-20 -78.02 -35.1 50.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.626 1.204 . . . . 62.14 109.341 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.474 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 7.5 m -43.23 -55.32 4.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 70.15 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.97 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 71.4 109.204 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 502' ' ' ASP . 23.1 t -84.23 -26.57 28.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 71.43 110.001 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.474 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 94.8 mt -62.62 -41.09 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 507' ' ' LEU . 0.0 OUTLIER -117.57 22.76 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 74.5 109.324 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' SER . . . . . 0.428 ' CB ' ' HA ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -59.4 -32.91 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 73.03 109.981 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.08 -27.05 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 73.23 110.968 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 50.7 mt -69.55 165.65 20.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 73.44 109.345 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 73.0 t -83.75 87.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 53.24 109.296 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.424 ' CZ ' ' OD2' ' A' ' 514' ' ' ASP . 1.2 tmm_? -52.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.42 110.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.467 ' CD2' HG23 ' A' ' 487' ' ' ILE . 4.9 tp -73.24 131.67 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 75.32 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -120.33 167.85 11.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 75.03 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 515' ' ' GLU . 10.1 tp10 -123.72 8.54 8.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 73.5 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.84 10.66 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 75.14 109.581 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.9 t -93.06 146.9 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.43 109.955 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -85.59 -6.09 59.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 74.44 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.473 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.71 -26.81 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 74.34 109.375 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.67 -34.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 74.12 110.947 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.72 81.1 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 73.23 109.27 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.4 mpt_? -73.8 -20.72 60.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 73.3 110.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 12.2 mmmt -74.08 -47.2 38.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 75.31 109.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 419' ' ' LEU . 2.5 p -74.08 -35.11 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.53 109.285 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.416 ' N ' HG12 ' A' ' 524' ' ' VAL . . . -74.38 -5.61 43.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 74.33 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 2.1 m-20 -95.63 -47.22 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 73.24 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 6.3 t -80.51 -51.42 8.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 73.45 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.478 ' N ' ' CG2' ' A' ' 527' ' ' THR . 49.1 m-85 -93.78 65.06 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.399 1.062 . . . . 74.43 111.057 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.595 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 0.1 OUTLIER -71.64 164.96 53.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 72.31 109.323 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.59 5.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.4 1.737 . . . . 73.31 111.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.595 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 6.9 p80 -76.98 -23.0 52.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.53 109.524 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 532' ' ' ARG . 6.4 mmt180 -92.99 -13.52 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 64.41 110.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.505 ' CD1' ' OD1' ' A' ' 396' ' ' ASN . 2.5 mm? -93.98 -53.06 4.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.42 109.342 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -63.0 -39.26 94.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 73.41 110.281 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -69.04 -20.22 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 63.51 109.269 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.418 ' HD3' ' CE ' ' A' ' 539' ' ' MET . 14.5 tpp180 -76.34 -35.13 58.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 75.52 110.347 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 541' ' ' ARG . 7.1 pttm -97.97 -12.46 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 75.52 109.264 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -63.83 -21.54 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 63.2 109.221 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.418 ' CE ' ' HD3' ' A' ' 536' ' ' ARG . 0.1 OUTLIER -101.67 -26.53 13.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 71.23 110.947 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.632 ' CZ2' ' NE2' ' A' ' 544' ' ' GLN . 46.7 t90 -64.47 -38.34 90.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 73.11 108.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.46 ' HA ' ' CG ' ' A' ' 544' ' ' GLN . 6.5 mpt_? -52.63 -33.49 46.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 72.42 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -44.65 -31.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 74.34 109.27 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -96.83 -27.1 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 72.01 110.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.632 ' NE2' ' CZ2' ' A' ' 540' ' ' TRP . 88.1 mm-40 -68.0 -23.33 65.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 72.34 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 71.5 109.309 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.516 0.198 . . . . 63.42 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 387' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' A' ' 387' ' ' GLU . 3.2 mm-40 -112.07 178.99 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 73.24 110.325 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 p -120.89 22.41 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 72.15 109.947 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 389' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 390' ' ' SER . 7.0 t -136.78 18.36 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 74.31 109.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 390' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 389' ' ' SER . 5.2 t -39.45 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.5 109.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.06 -177.06 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 75.13 110.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -138.82 144.93 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 74.41 110.344 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' LYS . . . . . 0.57 ' O ' ' CE1' ' A' ' 395' ' ' TYR . 1.6 ttmt -128.5 164.43 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 72.23 109.295 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 395' ' ' TYR . 47.5 t80 -78.79 143.38 36.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 74.42 110.986 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 393' ' ' LYS . 3.2 m-85 -130.2 160.16 34.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 75.41 110.996 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 450' ' ' ALA . 2.4 t30 -113.27 -13.55 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.55 109.277 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' PHE . . . . . 0.703 ' CE1' ' CG2' ' A' ' 421' ' ' VAL . 23.7 p90 -164.18 130.38 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 75.51 110.969 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' VAL . . . . . 0.473 HG12 ' CB ' ' A' ' 445' ' ' ALA . 9.8 p -98.87 115.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 74.23 109.288 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.61 100.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 74.55 109.189 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 455' ' ' LEU . 0.2 OUTLIER -76.74 122.63 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 62.41 109.275 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' HIS . . . . . 0.515 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.1 p80 -149.55 -176.51 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 74.33 109.498 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' ALA . . . . . 0.456 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -82.79 -159.47 0.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.489 1.118 . . . . 74.24 109.346 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.7 -16.58 18.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.02 110.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.88 16.8 23.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 73.11 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.17 26.84 8.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 63.41 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' GLU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.1 tt0 -61.87 -77.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.51 110.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' HIS . . . . . 0.471 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.6 p-80 -39.72 -40.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 73.25 109.569 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' ILE . . . . . 0.471 HG13 ' CE1' ' A' ' 407' ' ' HIS . 81.7 mt -55.54 -51.13 61.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 71.03 109.316 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.52 -50.04 64.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 73.34 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.74 -13.56 34.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 75.21 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 407' ' ' HIS . 0.7 OUTLIER -84.96 -15.86 42.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 74.13 110.247 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 413' ' ' ARG . 4.2 t -96.38 -51.53 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 74.44 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.456 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.8 mtm180 -36.34 -40.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 72.43 110.323 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 415' ' ' LYS . 54.6 mt-10 -72.84 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 74.4 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -48.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 72.22 109.226 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' LEU . . . . . 0.696 ' CD1' ' CE2' ' A' ' 397' ' ' PHE . 88.4 mt -46.9 -60.17 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 1.118 . . . . 74.13 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -38.68 -29.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 72.52 110.32 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 415' ' ' LYS . . . -65.18 -53.65 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 75.11 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 416' ' ' LEU . 0.9 OUTLIER -68.51 -46.18 70.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 74.32 109.264 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 170.42 -70.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 72.2 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.703 ' CG2' ' CE1' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -39.32 137.19 1.02 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 73.12 109.346 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -163.32 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.761 . . . . 74.45 110.976 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' ASP . . . . . 0.52 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 2.2 p-10 -62.04 -43.11 99.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 62.44 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.572 ' HA3' ' CE1' ' A' ' 397' ' ' PHE . . . 77.25 -96.99 1.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.435 1.084 . . . . 72.13 110.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 424' ' ' GLY . . . 163.28 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.572 0.807 . . . . 75.33 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.7 p -152.03 158.75 43.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 70.5 110.394 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' PHE . . . . . 0.555 ' CZ ' HD23 ' A' ' 439' ' ' LEU . 13.7 t80 -104.54 165.57 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 75.31 110.969 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' CYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 427' ' ' PHE . 14.1 p -138.06 141.61 40.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.1 108.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.41 124.77 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 64.45 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.82 113.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 74.41 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -108.83 91.58 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 74.44 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.52 68.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 72.41 110.27 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.09 -172.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 70.14 109.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -101.73 -33.98 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 72.01 109.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 85.29 -12.32 58.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 74.01 111.0 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.94 4.72 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.53 110.212 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -126.76 4.0 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.402 1.064 . . . . 52.03 111.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -118.84 -83.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 73.32 110.321 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LEU . . . . . 0.555 HD23 ' CZ ' ' A' ' 427' ' ' PHE . 1.8 pp -116.98 176.88 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 75.52 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.3 p -87.77 -64.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 74.23 109.967 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' CYS . . . . . 0.547 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 14.0 p -167.72 152.39 6.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.648 1.218 . . . . 60.12 108.316 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -58.9 -38.57 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 73.22 109.349 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLN . . . . . 0.457 ' CG ' ' O ' ' A' ' 443' ' ' GLN . 30.2 tt0 -70.83 -6.13 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.45 110.26 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 35.8 t70 -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 75.42 109.23 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' ALA . . . . . 0.493 ' CB ' ' OG ' ' A' ' 449' ' ' SER . . . -76.46 -28.38 56.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.53 109.327 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' ILE . . . . . 0.434 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.9 mt -53.81 -33.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.14 109.294 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.78 -56.95 2.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 75.5 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -55.71 -50.21 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 73.44 109.601 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' SER . . . . . 0.493 ' OG ' ' CB ' ' A' ' 445' ' ' ALA . 1.1 m -84.88 137.01 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 53.23 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 396' ' ' ASN . . . -49.97 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 73.51 109.264 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 451' ' ' PHE . 3.9 m-85 -116.09 129.73 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 72.43 110.923 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' ILE . . . . . 0.467 HG22 ' CG1' ' A' ' 398' ' ' VAL . 19.8 mm -75.52 131.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.563 1.164 . . . . 75.03 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' ILE . . . . . 0.448 HD13 ' CD2' ' A' ' 397' ' ' PHE . 10.4 mt -105.8 116.81 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.12 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 454' ' ' LEU . 1.8 mp -95.52 109.88 22.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 73.01 109.362 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' LEU . . . . . 0.47 ' O ' ' CD2' ' A' ' 460' ' ' PHE . 8.3 tp -79.01 79.44 5.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 74.35 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' LEU . . . . . 0.46 ' CD1' HD21 ' A' ' 507' ' ' LEU . 3.9 mt -67.18 93.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 75.04 109.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.467 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 15.8 p -128.57 153.85 46.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.41 110.405 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.4 p -59.23 -16.26 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.626 1.204 . . . . 65.33 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -94.14 -18.97 21.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 63.23 109.361 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 46.7 t80 -111.0 160.45 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.54 111.044 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 11.1 t70 -106.41 131.07 54.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 71.43 109.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.94 -53.97 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 74.12 108.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -38.83 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 74.23 110.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 466' ' ' LEU . 1.5 tm? -72.88 -75.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 73.22 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' SER . . . . . 0.441 ' O ' ' CG1' ' A' ' 469' ' ' VAL . 1.5 p -38.62 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 72.34 109.966 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 464' ' ' LEU . 7.0 tt -73.05 -56.57 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.32 109.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.4 OUTLIER -52.85 -40.37 63.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 75.32 109.608 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 9.1 mt-30 -70.28 -74.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 74.44 110.214 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' VAL . . . . . 0.442 ' CG2' ' HE3' ' A' ' 473' ' ' MET . 7.2 p -40.18 -32.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.22 109.214 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 0.9 OUTLIER -63.98 -70.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 73.32 109.227 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 475' ' ' SER . 35.3 mm-40 -48.84 -52.01 26.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 75.21 110.304 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . 0.404 ' O ' ' NE2' ' A' ' 443' ' ' GLN . . . -50.95 -55.46 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.43 109.306 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' MET . . . . . 0.442 ' HE3' ' CG2' ' A' ' 469' ' ' VAL . 22.1 mtt -47.48 -71.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 72.31 111.032 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' MET . . . . . 0.47 ' HA ' ' CD1' ' A' ' 477' ' ' LEU . 0.0 OUTLIER -57.42 -15.87 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 74.12 111.066 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 27.5 t -85.57 -24.52 27.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.569 1.168 . . . . 62.02 109.933 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 43.7 t30 -137.56 77.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 70.25 109.256 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' LEU . . . . . 0.47 ' CD1' ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -101.56 -21.71 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 65.21 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 5.9 t -72.2 -3.79 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 73.33 110.477 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 18.3 mmt-85 -101.21 -73.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 73.43 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -116.7 -35.01 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.2 110.259 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 38.49 58.07 1.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 73.4 111.048 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.09 94.44 43.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 74.15 110.084 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.87 0.18 9.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 62.03 111.044 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.91 15.15 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 73.12 109.224 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 4.7 m -93.9 20.99 7.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 61.13 108.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' VAL . . . . . 0.448 ' HB ' ' CD1' ' A' ' 510' ' ' LEU . 2.2 t -105.87 114.05 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.24 109.289 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 3.0 mm -115.61 95.12 42.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 74.24 109.29 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 97.54 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 74.32 111.012 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' PHE . . . . . 0.463 ' HB3' ' CD1' ' A' ' 455' ' ' LEU . 6.5 t80 -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 74.24 111.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -152.44 103.92 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 74.42 109.274 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' PRO . . . . . 0.448 ' CG ' HG23 ' A' ' 457' ' ' THR . 18.2 Cg_endo -75.09 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.413 1.744 . . . . 75.42 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 492' ' ' LEU . 2.4 mp -78.07 -25.18 47.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 71.42 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.464 ' CB ' HD13 ' A' ' 408' ' ' ILE . 6.7 mm-40 -64.32 -36.23 83.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 60.43 110.371 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' SER . . . . . 0.405 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 23.1 m -120.5 170.95 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 72.01 110.025 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.35 166.49 15.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.401 1.063 . . . . 72.23 109.996 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' PRO . . . . . 0.423 ' HB3' ' NH2' ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.01 -31.72 5.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 73.42 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.38 67.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 63.45 109.272 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -79.6 -12.81 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 74.45 110.237 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' LEU . . . . . 0.43 ' CD1' HG23 ' A' ' 503' ' ' THR . 12.0 mt -90.25 -174.76 4.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 74.22 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 501' ' ' SER . 3.0 t -80.85 173.24 12.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 74.3 110.046 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' SER . . . . . 0.402 ' N ' ' OG ' ' A' ' 500' ' ' SER . 8.4 t -79.91 -6.57 57.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 70.32 109.976 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 505' ' ' SER . 7.8 m-20 -97.21 -39.36 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 72.54 109.34 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' THR . . . . . 0.464 ' HA ' ' CD1' ' A' ' 506' ' ' LEU . 3.2 m -44.38 -26.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.164 . . . . 72.03 110.444 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.07 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 74.31 109.374 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.8 m -77.95 -10.64 59.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 74.23 110.038 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 503' ' ' THR . 63.1 mt -79.7 -27.71 40.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 74.02 109.251 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 456' ' ' LEU . 3.3 pp -111.14 -14.39 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.11 109.324 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 89.5 p -50.73 105.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.11 109.999 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 134.55 -23.69 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 71.41 110.98 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' LEU . . . . . 0.448 ' CD1' ' HB ' ' A' ' 486' ' ' VAL . 10.6 mt -104.62 136.93 43.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 75.12 109.26 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 3.5 t -53.42 108.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 64.54 109.34 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' ARG . . . . . 0.423 ' NH2' ' HB3' ' A' ' 496' ' ' PRO . 0.0 OUTLIER -70.45 134.37 47.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 74.42 110.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' LEU . . . . . 0.561 ' HG ' ' CE1' ' A' ' 520' ' ' PHE . 3.8 tp -104.84 149.49 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 74.41 109.372 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.0 t0 -145.32 167.72 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 73.41 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.424 ' CG ' HD12 ' A' ' 492' ' ' LEU . 44.8 tt0 -112.26 -33.99 6.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 74.14 110.211 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' HIS . . . . . 0.45 ' CD2' ' OD2' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -95.83 29.4 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 75.03 109.549 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.1 t -105.61 156.99 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 73.33 110.004 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -102.88 -7.48 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 72.44 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' ILE . . . . . 0.47 ' CD1' ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 71.41 109.302 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.561 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.2 t80 -39.48 -35.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 75.34 111.045 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 75.22 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 519' ' ' ILE . 2.0 mpt_? -73.75 -19.18 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.43 110.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' LYS . . . . . 0.47 ' HD3' ' CD1' ' A' ' 519' ' ' ILE . 9.1 mmmt -77.06 -39.18 50.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 73.24 109.378 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 419' ' ' LEU . 0.5 OUTLIER -79.5 -46.64 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.34 109.319 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -64.48 -11.7 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 71.23 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -89.59 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.35 109.259 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 527' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 7.7 t -74.99 -54.84 6.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 75.22 110.415 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 528' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 524' ' ' VAL . 32.8 m-85 -86.31 46.35 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 74.03 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' LYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 531' ' ' HIS . 46.7 mttt -45.69 152.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 65.54 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 71.13 110.945 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -54.51 -19.66 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.135 . . . . 74.43 109.545 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -87.95 -37.47 16.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 74.02 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' LEU . . . . . 0.414 ' O ' ' CB ' ' A' ' 536' ' ' ARG . 0.1 OUTLIER -60.2 -60.89 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.382 1.051 . . . . 72.12 109.28 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 531' ' ' HIS . 2.3 pt20 -60.58 -36.51 78.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 65.33 110.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -70.43 -16.4 62.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 70.14 109.348 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 533' ' ' LEU . 8.6 tpt180 -59.94 -20.12 55.72 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 74.51 110.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 539' ' ' MET . 0.8 OUTLIER -97.85 -22.65 16.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.43 109.28 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ALA . . . . . 0.474 ' O ' ' CD ' ' A' ' 541' ' ' ARG . . . -40.38 -29.79 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.569 1.168 . . . . 75.41 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' MET . . . . . 0.461 ' CA ' ' HE3' ' A' ' 542' ' ' LYS . 69.1 mtm -89.09 -47.22 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 70.32 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' TRP . . . . . 0.447 ' HA ' ' CE3' ' A' ' 540' ' ' TRP . 0.1 OUTLIER -48.05 -48.96 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.991 -1.114 . . . . 74.31 107.991 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 538' ' ' ALA . 10.7 ptm180 -40.15 -37.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 73.31 110.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' LYS . . . . . 0.461 ' HE3' ' CA ' ' A' ' 539' ' ' MET . 9.8 mtmp? -48.18 -49.99 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 75.33 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.09 -22.46 59.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.607 1.192 . . . . 74.53 110.205 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 541' ' ' ARG . 65.3 mm-40 -71.23 -36.95 72.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 72.4 110.294 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 75.34 109.311 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 2.2 m-85 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.524 0.202 . . . . 65.340000000000003 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.981 ' OD1' HD13 ' A' ' 533' ' ' LEU . 14.8 m-80 -112.3 -14.29 13.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.219999999999999 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.843 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.0 p90 -164.69 153.12 12.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.953 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -109.67 115.51 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 71.030000000000001 109.262 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.702 HD11 ' HE2' ' A' ' 397' ' ' PHE . 54.0 mt -86.6 96.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 70.230000000000004 109.262 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.708 HD21 ' CD2' ' A' ' 427' ' ' PHE . 5.9 mt -80.74 118.68 22.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 63.549999999999997 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.622 ' CB ' HD23 ' A' ' 455' ' ' LEU . 11.2 p80 -155.0 158.24 38.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 64.099999999999994 109.589 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.616 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -56.97 -165.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 71.329999999999998 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -9.12 23.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 74.109999999999999 110.237 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.6 16.85 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 109.348 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.616 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -127.05 35.99 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 72.340000000000003 109.281 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 31.9 tt0 -66.43 -76.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 65.409999999999997 110.364 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 11.5 p-80 -38.19 -35.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 109.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 405' ' ' ASP . 47.9 mt -58.27 -54.95 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 109.297 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -65.45 -46.62 79.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.296 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -57.06 -25.54 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -80.91 -21.35 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 74.230000000000004 110.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.556 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 4.8 t -84.29 -52.53 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.069 . . . . 74.409999999999997 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.476 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.7 mtm180 -38.2 -51.47 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 64.430000000000007 110.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 67.4 mt-10 -67.12 -51.9 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.209999999999994 110.351 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.523 ' HA ' ' HZ2' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -50.06 -27.03 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 74.530000000000001 109.346 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -76.99 -33.8 57.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 62.340000000000003 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.443 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 4.9 mt-10 -76.19 -8.12 56.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 70.349999999999994 110.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -90.75 -9.35 46.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 63.299999999999997 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.612 HD13 HG11 ' A' ' 524' ' ' VAL . 0.8 OUTLIER -116.37 -44.96 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 73.010000000000005 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.14 -76.29 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 110.995 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -40.36 138.04 1.23 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 0.733 . . . . 74.219999999999999 109.363 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.95 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 64.329999999999998 111.048 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.441 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.9 p-10 -59.11 -44.46 91.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.02 -92.79 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 43.350000000000001 110.997 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.46 -175.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 0.76 . . . . 70.209999999999994 109.249 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.9 p -152.12 120.17 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.109999999999999 110.35 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.708 ' CD2' HD21 ' A' ' 400' ' ' LEU . 1.9 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 74.430000000000007 110.993 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.593 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 17.3 pt20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.339 -0.245 . . . . 75.030000000000001 110.339 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -73.57 -48.24 34.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.264 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -67.04 -14.66 63.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 72.109999999999999 109.234 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.629 HD12 ' CB ' ' A' ' 472' ' ' ALA . 7.2 mt -79.93 -31.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 71.329999999999998 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.96 -12.02 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.219999999999999 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 444' ' ' ASP . 5.9 m-70 -106.42 -55.92 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 109.579 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.6 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 0.8 OUTLIER -79.94 143.03 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 72.019999999999996 110.003 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -53.26 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 485' ' ' CYS . 3.0 m-85 -121.71 130.53 53.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 74.040000000000006 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.953 HG23 HG12 ' A' ' 398' ' ' VAL . 26.0 mm -71.52 130.23 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.063 . . . . 72.540000000000006 109.222 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.843 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.8 mt -106.34 112.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 65.230000000000004 109.27 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.593 ' CD1' HG22 ' A' ' 452' ' ' ILE . 1.1 mp -95.41 107.55 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 71.219999999999999 109.396 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 457' ' ' THR . 7.2 tp -73.93 79.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 63.340000000000003 109.303 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 456' ' ' LEU . 5.6 mt -66.03 91.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.150000000000006 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.9 p -129.74 149.94 51.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.519999999999996 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 498' ' ' GLN . 0.4 OUTLIER -57.04 -17.57 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.014 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.585 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 6.7 m-20 -91.94 -22.84 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 73.299999999999997 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 48.6 t80 -104.37 165.25 11.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 73.420000000000002 110.959 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -106.62 124.15 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 55.100000000000001 109.259 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.4 m -92.2 -52.41 4.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 64.019999999999996 108.264 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -38.87 -59.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 54.25 110.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 464' ' ' LEU . 1.5 tm? -51.71 -61.49 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 75.25 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 464' ' ' LEU . 0.2 OUTLIER -39.29 -45.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 109.975 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 469' ' ' VAL . 1.9 tm? -59.84 -48.37 81.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 72.439999999999998 109.272 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 21.5 m-70 -56.86 -56.1 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 72.129999999999995 109.525 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.502 ' OE1' HD11 ' A' ' 464' ' ' LEU . 78.9 mt-30 -57.32 -69.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.6 OUTLIER -39.75 -45.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 109.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 473' ' ' MET . 2.5 m120 -56.55 -69.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 73.340000000000003 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.1 mm100 -40.67 -45.94 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 74.420000000000002 110.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.629 ' CB ' HD12 ' A' ' 446' ' ' ILE . . . -57.23 -46.09 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 50.420000000000002 109.196 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.527 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 32.7 mtt -64.64 -57.96 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.44 32.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 61.310000000000002 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.4 t -78.01 -53.08 7.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 75.450000000000003 109.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -133.08 94.66 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 63.200000000000003 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 473' ' ' MET . 10.0 mt -92.87 -37.23 12.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 74.349999999999994 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.4 t -56.56 -17.21 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 71.310000000000002 110.395 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -78.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.408 1.068 . . . . 73.230000000000004 110.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -23.36 10.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 1.155 . . . . 74.430000000000007 110.405 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.4 43.8 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.416 1.072 . . . . 42.310000000000002 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.65 81.1 14.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 62.200000000000003 110.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.462 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.99 0.28 9.09 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.781 . . . . 70.019999999999996 111.022 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 34.1 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 50.520000000000003 109.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 451' ' ' PHE . 0.5 OUTLIER -106.49 20.38 19.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.439999999999998 108.31 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.939 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.9 t -92.5 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 109.211 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.939 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.1 mm -140.01 95.47 8.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.35 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 94.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 53.240000000000002 110.989 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.697 ' HD1' HD23 ' A' ' 513' ' ' LEU . 8.2 t80 -80.76 146.95 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 111.044 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.557 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.3 tm? -133.44 103.6 12.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 109.319 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 74.450000000000003 110.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.8 mp -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 109.222 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.485 ' HB2' HD13 ' A' ' 408' ' ' ILE . 3.5 mm-40 -58.89 -36.6 74.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.439999999999998 110.354 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -120.53 175.67 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 109.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.557 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.6 166.13 17.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 43.240000000000002 110.032 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.485 1.781 . . . . 73.219999999999999 110.994 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.06 -25.72 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.416 ' CB ' ' OG ' ' A' ' 458' ' ' SER . 2.0 mt-30 -75.97 -8.46 57.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 503' ' ' THR . 9.1 mt -97.66 161.92 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 109.377 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.3 m -61.45 162.11 8.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.587 1.18 . . . . 33.219999999999999 110.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 34.2 t -70.55 -6.53 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.140000000000001 110.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 505' ' ' SER . 83.2 m-20 -83.54 -36.13 24.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 65.010000000000005 109.193 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.895 HG22 ' CD2' ' A' ' 507' ' ' LEU . 67.9 m -42.51 -47.59 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 70.140000000000001 110.356 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.18 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 62.140000000000001 109.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 502' ' ' ASP . 43.4 t -78.71 -25.38 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 43.119999999999997 110.035 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 503' ' ' THR . 59.6 mt -69.44 -34.26 74.15 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.233 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.895 ' CD2' HG22 ' A' ' 503' ' ' THR . 0.4 OUTLIER -111.19 20.82 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 63.530000000000001 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 60.84 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.935 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 173.05 -38.45 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.168 . . . . 72.120000000000005 111.008 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 486' ' ' VAL . 13.2 mt -72.55 -179.65 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 73.540000000000006 109.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 70.4 t -104.66 99.46 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.394 1.059 . . . . 60.200000000000003 109.26 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 514' ' ' ASP . 2.4 tmm_? -52.04 113.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.371 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.697 HD23 ' HD1' ' A' ' 489' ' ' PHE . 9.0 tp -98.84 129.05 45.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.336 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 13.0 m-20 -116.01 167.48 10.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 5.2 tp10 -122.23 5.12 9.74 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.6 9.12 5.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 65.109999999999999 109.601 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.38 139.2 33.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 73.409999999999997 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 518' ' ' GLN . . . . . 0.407 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.2 pp0? -78.93 2.51 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.323 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.752 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.58 -27.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 65.400000000000006 109.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.0 t80 -40.01 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 55.530000000000001 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.41 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 34.539999999999999 109.315 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.22 -20.4 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.752 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.7 mmmt -73.65 -47.43 39.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 63.32 109.311 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.612 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -71.52 -45.5 67.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 74.140000000000001 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -66.51 -10.64 46.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 63.32 109.334 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.5 m-20 -87.91 -55.83 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 53.200000000000003 109.323 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -77.44 -54.05 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 62.409999999999997 110.359 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 58.4 m-85 -88.19 55.2 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 64.219999999999999 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 533' ' ' LEU . 47.9 mttt -60.66 159.91 22.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 72.209999999999994 109.295 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -31.62 6.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 73.209999999999994 111.056 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.48 ' NE2' ' NE ' ' A' ' 532' ' ' ARG . 3.6 p-80 -75.65 -13.9 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 74.400000000000006 109.56 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.48 ' NE ' ' NE2' ' A' ' 531' ' ' HIS . 25.3 mmt180 -98.16 -42.56 7.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 63.149999999999999 110.383 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.981 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.503 0.192 . . . . 75.420000000000002 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.7 m-80 -112.39 -14.37 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 74.329999999999998 109.351 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 453' ' ' ILE . 11.0 p90 -170.7 136.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.815 HG12 HG23 ' A' ' 452' ' ' ILE . 3.9 p -100.01 105.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.261 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.764 HD11 ' HE2' ' A' ' 397' ' ' PHE . 22.3 mt -77.28 96.7 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.010000000000005 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 401' ' ' HIS . 0.7 OUTLIER -78.24 110.2 13.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 62.219999999999999 109.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 400' ' ' LEU . 19.7 p80 -144.82 174.2 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.450000000000003 109.587 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.476 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -67.59 -167.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 62.119999999999997 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -99.48 -11.23 21.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 62.109999999999999 110.33 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' A' ' 403' ' ' ARG . . . -104.3 16.88 25.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 74.129999999999995 109.278 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.698 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.88 26.98 6.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.281 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.552 ' HG3' HD13 ' A' ' 410' ' ' LEU . 23.2 tt0 -61.4 -75.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.394 1.059 . . . . 61.420000000000002 110.353 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 17.6 p-80 -41.91 -33.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 75.420000000000002 109.657 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.698 HD12 ' CG ' ' A' ' 405' ' ' ASP . 47.1 mt -62.24 -50.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -71.27 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 72.340000000000003 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 406' ' ' GLU . 8.2 mp -48.29 -24.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 64.409999999999997 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 0.0 OUTLIER -75.99 -36.5 59.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 72.040000000000006 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 489' ' ' PHE . 2.6 t -74.79 -52.32 19.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.45 1.093 . . . . 35.039999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 11.2 mtm180 -35.6 -45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.313 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 70.5 mt-10 -69.6 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 73.420000000000002 110.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.88 -52.45 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 65.349999999999994 109.314 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.932 ' HB3' HG13 ' A' ' 421' ' ' VAL . 94.5 mt -42.17 -57.52 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.416 1.073 . . . . 53.340000000000003 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 416' ' ' LEU . 8.9 mt-10 -36.61 -40.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 75.420000000000002 110.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -54.95 -53.59 53.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.0 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -66.9 -45.86 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.08 -70.68 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.092 . . . . 55.039999999999999 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.49 137.24 1.06 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 72.510000000000005 109.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.12 -166.15 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.389 1.731 . . . . 51.240000000000002 110.936 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.513 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 72.430000000000007 109.23 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.39 -95.67 1.69 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 71.310000000000002 110.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.38 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 74.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 11.2 p -151.68 145.2 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.474 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.785 ' HB2' HG22 ' A' ' 398' ' ' VAL . 8.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 62.149999999999999 111.064 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.52 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 3.9 pt20 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.351 -0.24 . . . . 73.25 110.351 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -63.1 -20.54 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 74.129999999999995 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.532 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -88.26 -29.44 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.209999999999994 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.504 ' N ' HD11 ' A' ' 452' ' ' ILE . 2.5 mt -60.6 -22.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -56.49 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 75.120000000000005 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -65.55 -55.69 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.634 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -77.34 160.64 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 74.409999999999997 110.044 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.477 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -74.65 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 70.129999999999995 109.25 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 2.2 m-85 -118.43 129.06 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.815 HG23 HG12 ' A' ' 398' ' ' VAL . 14.3 mm -71.1 135.87 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 45.210000000000001 109.283 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.4 mt -110.79 120.99 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 63.219999999999999 109.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' A' ' 465' ' ' SER . 3.5 mt -100.96 106.85 18.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -73.57 79.6 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 71.349999999999994 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.4 mt -68.13 92.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 55.25 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 455' ' ' LEU . 17.3 p -127.22 158.4 37.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 62.310000000000002 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 p -64.25 -12.15 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.349999999999994 110.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.0 -11.32 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.239999999999995 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 461' ' ' ASP . 55.1 t80 -124.7 171.44 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 110.929 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 460' ' ' PHE . 29.8 p30 -120.14 126.23 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.25 109.233 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.689 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.0 p -83.15 -42.34 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 63.530000000000001 108.323 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -38.89 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.319999999999993 110.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.603 HD11 ' OE1' ' A' ' 468' ' ' GLN . 1.7 tm? -82.18 -54.95 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 70.030000000000001 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.844 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.75 -59.58 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 70.349999999999994 110.042 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 466' ' ' LEU . 3.4 tm? -52.34 -21.83 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 73.319999999999993 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 4.6 t60 -91.92 -25.72 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.010000000000005 109.591 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.603 ' OE1' HD11 ' A' ' 464' ' ' LEU . 48.2 mt-30 -86.21 -18.35 32.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 74.329999999999998 110.197 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.693 HG22 ' CE ' ' A' ' 473' ' ' MET . 0.5 OUTLIER -90.95 -49.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 65.109999999999999 109.332 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 2.9 m120 -56.12 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 71.010000000000005 109.304 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.622 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.1 mm100 -40.58 -46.24 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 65.140000000000001 110.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 468' ' ' GLN . . . -51.84 -53.71 37.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 63.409999999999997 109.27 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.693 ' CE ' HG22 ' A' ' 469' ' ' VAL . 8.4 mtt -53.01 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 74.239999999999995 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.807 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -53.08 -19.06 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 64.310000000000002 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.7 t -81.53 -30.83 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 61.020000000000003 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.526 ' ND2' HE22 ' A' ' 480' ' ' GLN . 47.7 t30 -137.76 90.63 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 44.539999999999999 109.326 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -112.75 -20.64 11.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 71.409999999999997 109.26 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.721 HG23 ' CD ' ' A' ' 479' ' ' ARG . 6.7 t -74.34 -1.51 21.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 54.32 110.473 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.721 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.4 OUTLIER -107.49 -72.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.543 1.152 . . . . 71.310000000000002 110.275 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.526 HE22 ' ND2' ' A' ' 476' ' ' ASN . 3.9 pm0 -116.49 -32.38 5.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 73.019999999999996 110.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 36.8 53.39 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 44.439999999999998 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.49 97.55 36.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.529 0.782 . . . . 71.329999999999998 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.85 0.92 8.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.558 1.82 . . . . 53.32 111.074 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.5 42.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.109999999999999 109.313 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 473' ' ' MET . 30.3 p -120.27 41.42 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 74.209999999999994 108.264 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.804 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.1 t -118.81 126.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 71.200000000000003 109.321 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.748 ' CG2' HD22 ' A' ' 513' ' ' LEU . 4.9 mm -133.04 93.05 23.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.222 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.05 95.34 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 64.430000000000007 110.978 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.5 t80 -78.3 158.06 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.239999999999995 111.034 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.588 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -145.75 104.13 4.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 61.509999999999998 109.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.5 Cg_endo -74.9 171.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 63.25 111.024 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -76.19 -27.43 56.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 109.361 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.97 -34.44 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 73.030000000000001 110.292 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.4 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 5.9 m -121.92 176.65 5.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 110.001 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.588 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.69 166.51 18.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 54.240000000000002 110.005 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.18 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.443 1.76 . . . . 74.329999999999998 111.0 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.48 -26.19 67.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -72.38 -11.86 60.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 43.329999999999998 110.255 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 503' ' ' THR . 7.5 mt -92.66 164.84 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 72.239999999999995 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 167.44 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.510000000000005 109.956 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -72.76 -5.44 37.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.5 OUTLIER -85.25 -38.14 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 71.010000000000005 109.269 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.853 ' HA ' HD12 ' A' ' 506' ' ' LEU . 54.3 m -42.13 -40.58 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 73.219999999999999 110.36 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.76 83.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 109.266 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -75.74 -14.29 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.040000000000006 109.954 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 503' ' ' THR . 46.3 mt -83.17 -35.32 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 53.539999999999999 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.5 pp -109.1 15.59 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 72.510000000000005 109.275 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 11.6 p -71.31 106.58 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 71.120000000000005 110.003 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 118.62 -29.67 6.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.101 . . . . 75.129999999999995 111.018 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.804 HD13 ' HB ' ' A' ' 486' ' ' VAL . 22.5 mt -76.81 -174.96 3.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 0.75 . . . . 72.439999999999998 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 511' ' ' VAL . 12.0 t -113.29 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 73.319999999999993 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.474 ' CZ ' ' OD1' ' A' ' 514' ' ' ASP . 0.0 OUTLIER -53.42 112.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 74.439999999999998 110.298 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -87.63 134.48 33.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 12.3 m-20 -121.03 167.63 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 109.335 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 412' ' ' VAL . 18.7 tt0 -122.07 5.5 9.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 75.450000000000003 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.25 12.07 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 70.25 109.513 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 517' ' ' SER . . . . . 0.405 ' OG ' HG23 ' A' ' 519' ' ' ILE . 5.5 t -95.86 139.12 32.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 61.350000000000001 110.032 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.96 -4.77 53.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.301 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.26 -26.34 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 109.212 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.7 OUTLIER -40.0 -35.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.140000000000001 110.993 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.35 -47.27 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.299999999999997 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.719 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.9 -20.35 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 12.9 mmmt -74.05 -44.04 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.310000000000002 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 1.0 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.32 -39.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 72.450000000000003 109.299 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -73.87 -3.94 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 24.309999999999999 109.339 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -96.54 -38.48 9.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.579 1.175 . . . . 74.120000000000005 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -92.3 -53.99 4.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 63.229999999999997 110.443 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.71 ' CE2' HD11 ' A' ' 453' ' ' ILE . 43.1 m-85 -85.99 44.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 53.310000000000002 111.028 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.2 mttm -48.52 157.94 0.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.349999999999994 109.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 72.200000000000003 111.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.0 OUTLIER -65.08 -11.62 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 62.439999999999998 109.624 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 0.6 OUTLIER -84.86 -44.91 12.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 110.261 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.4 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.312 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 21.8 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.474 0.178 . . . . 72.109999999999999 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 1.2 m120 -112.68 -14.07 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.400000000000006 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 1.017 ' CD2' HD12 ' A' ' 453' ' ' ILE . 24.6 p90 -174.27 141.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 73.219999999999999 110.946 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -101.74 115.83 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.159 . . . . 73.120000000000005 109.326 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.848 HD12 HG22 ' A' ' 426' ' ' THR . 76.9 mt -80.19 119.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 65.299999999999997 109.278 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.698 HD23 HG13 ' A' ' 398' ' ' VAL . 0.7 OUTLIER -101.85 102.82 13.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.598 1.186 . . . . 74.010000000000005 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.666 ' HB3' HD23 ' A' ' 455' ' ' LEU . 16.4 p80 -134.1 -170.2 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.239999999999995 109.583 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -86.61 -162.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -16.73 18.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 72.400000000000006 110.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 17.0 23.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 74.439999999999998 109.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.847 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -123.17 27.67 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 64.340000000000003 109.26 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 41.2 tt0 -64.08 -74.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.395 1.059 . . . . 53.43 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 1.8 p80 -37.82 -34.78 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 62.219999999999999 109.609 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.847 HD12 ' CG ' ' A' ' 405' ' ' ASP . 24.3 mt -60.58 -56.08 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 109.324 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -62.72 -45.84 90.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 75.310000000000002 109.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 13.3 mt -61.43 -21.98 64.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 51.520000000000003 109.272 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -81.87 -13.1 58.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.510000000000005 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.483 HG21 ' CE2' ' A' ' 489' ' ' PHE . 6.1 t -96.51 -53.38 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 54.119999999999997 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.462 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -35.35 -43.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 74.450000000000003 110.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 415' ' ' LYS . 66.6 mm-40 -72.28 -61.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 74.430000000000007 110.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.51 -52.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 75.510000000000005 109.37 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.902 ' HB3' HG13 ' A' ' 421' ' ' VAL . 80.5 mt -45.34 -60.12 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.074 . . . . 75.040000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 2.9 mt-10 -36.54 -33.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.549999999999997 110.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -63.2 -55.59 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.934 HD13 HG11 ' A' ' 524' ' ' VAL . 1.7 mt -64.57 -45.69 85.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 71.230000000000004 109.379 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.34 -70.64 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 52.149999999999999 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.61 137.77 1.05 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 71.519999999999996 109.256 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -74.99 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 72.409999999999997 110.956 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.505 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 5.8 p-10 -59.15 -44.53 92.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 74.230000000000004 109.266 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.693 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.14 -94.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.585 1.178 . . . . 73.540000000000006 111.041 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 50.340000000000003 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.848 HG22 HD12 ' A' ' 399' ' ' ILE . 3.0 p -152.54 108.02 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 427' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.430000000000007 110.995 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.243 -0.281 . . . . 53.340000000000003 110.243 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.448 ' O ' ' ND1' ' A' ' 448' ' ' HIS . 15.8 t70 -53.45 -35.57 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 75.420000000000002 109.27 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -75.76 -26.39 57.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 41.450000000000003 109.322 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 469' ' ' VAL . 1.1 mt -77.34 -10.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 42.450000000000003 109.332 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.13 -49.35 3.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.310000000000002 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.651 ' CD2' ' N ' ' A' ' 449' ' ' SER . 5.5 p-80 -88.32 -53.77 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.109999999999999 109.633 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.651 ' N ' ' CD2' ' A' ' 448' ' ' HIS . 0.1 OUTLIER -70.77 151.37 44.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 63.149999999999999 109.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -67.11 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 109.336 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 485' ' ' CYS . 19.3 m-30 -120.02 134.43 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 111.001 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.9 HG23 HG12 ' A' ' 398' ' ' VAL . 16.4 mm -70.99 134.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 62.450000000000003 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 1.017 HD12 ' CD2' ' A' ' 397' ' ' PHE . 6.1 mt -108.34 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.299999999999997 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 465' ' ' SER . 6.7 mt -88.89 107.42 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 61.130000000000003 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 401' ' ' HIS . 7.5 tp -75.33 79.5 2.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 75.230000000000004 109.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 456' ' ' LEU . 4.3 mt -63.59 91.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 71.209999999999994 109.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.475 HG22 ' CG ' ' A' ' 491' ' ' PRO . 77.5 p -127.84 150.38 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.063 . . . . 75.510000000000005 110.379 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 77.5 p -59.84 -15.38 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 72.519999999999996 109.953 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.565 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.9 m120 -91.09 -20.61 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 61.539999999999999 109.259 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 79.6 t80 -111.43 172.42 6.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 65.420000000000002 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.495 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -125.72 131.29 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.200000000000003 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 456' ' ' LEU . 12.2 t -94.03 -42.42 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 108.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 462' ' ' CYS . 42.0 mtp180 -38.61 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -84.64 -71.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 71.109999999999999 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.5 OUTLIER -41.53 -59.42 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 64.049999999999997 110.02 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 466' ' ' LEU . 1.6 tm? -48.24 -37.92 17.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 44.350000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.9 OUTLIER -73.54 -31.0 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 62.020000000000003 109.541 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 6.5 mt-30 -77.74 -69.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 110.364 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 446' ' ' ILE . 5.2 p -41.75 -50.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 63.200000000000003 109.326 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.487 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.1 m120 -43.39 -48.9 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 71.239999999999995 109.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -68.63 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 52.210000000000001 110.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.545 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -66.06 -27.17 67.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.209999999999994 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.712 ' HE3' HG23 ' A' ' 486' ' ' VAL . 16.2 mtt -72.75 -57.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.988 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -66.47 -8.35 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.100000000000001 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -108.47 -1.12 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.519999999999996 110.003 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' A' ' 476' ' ' ASN . 12.2 t30 -130.46 52.42 2.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 74.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 3.7 mt -96.82 -15.8 21.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.4 t -85.9 1.82 48.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 71.099999999999994 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -111.35 -72.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 72.430000000000007 110.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 481' ' ' GLY . 5.2 pt20 -119.4 -36.82 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.417 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.43 55.5 29.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.0 m -127.76 107.69 20.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 53.340000000000003 109.983 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.97 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.566 1.824 . . . . 74.340000000000003 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.45 33.61 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 451' ' ' PHE . 26.2 p -107.02 34.55 3.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 62.420000000000002 108.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.892 ' O ' HD13 ' A' ' 487' ' ' ILE . 45.9 t -129.98 136.38 58.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 65.209999999999994 109.24 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.7 mm -141.46 101.52 6.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 65.219999999999999 109.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.456 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.532 1.806 . . . . 74.099999999999994 110.991 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.483 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.4 t80 -80.08 158.42 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 73.5 110.971 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.464 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -143.0 101.14 5.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.319999999999993 109.361 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.475 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.56 1.821 . . . . 74.230000000000004 110.99 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.646 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.8 mp -76.78 -27.75 55.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.439999999999998 109.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.06 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 110.257 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.6 m -118.99 173.08 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 61.329999999999998 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.8 165.27 23.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 70.200000000000003 109.948 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.464 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.0 -32.95 4.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 72.329999999999998 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.82 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 64.019999999999996 109.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.37 -9.61 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 110.26 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.886 HD12 HG21 ' A' ' 503' ' ' THR . 4.2 mt -97.3 163.0 13.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 50.0 m -66.26 161.32 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 74.120000000000005 110.016 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 44.0 t -65.17 -11.18 37.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 42.509999999999998 109.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.4 m-20 -81.39 -40.01 24.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 73.439999999999998 109.251 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.886 HG21 HD12 ' A' ' 499' ' ' LEU . 1.4 m -41.96 -38.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 70.430000000000007 110.418 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.68 89.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.471 1.107 . . . . 62.549999999999997 109.248 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 30.5 t -73.98 -18.52 60.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.956 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 58.4 mt -76.22 -35.33 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.210000000000001 109.225 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.8 pp -110.42 16.3 21.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 70.140000000000001 109.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 107.4 6.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 74.439999999999998 109.997 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.29 -24.31 7.78 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 70.340000000000003 111.077 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.46 -178.81 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 0.718 . . . . 63.350000000000001 109.275 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 76.1 t -108.97 99.68 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.209999999999994 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 496' ' ' PRO . 4.1 ttm180 -66.89 121.56 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 73.450000000000003 110.376 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 524' ' ' VAL . 4.4 tp -83.25 153.2 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 62.450000000000003 109.364 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 3.4 m-20 -135.88 167.54 21.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 72.400000000000006 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 11.7 tt0 -126.33 1.78 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 70.349999999999994 110.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.7 11.65 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 55.240000000000002 109.591 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 517' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 519' ' ' ILE . 2.0 t -99.25 137.3 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 74.239999999999995 110.062 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.75 -2.24 38.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 110.308 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.58 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.29 -35.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.985 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.706 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.99 -47.17 74.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 40.119999999999997 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.709 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -74.21 -21.53 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 65.439999999999998 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.7 mmmt -72.99 -42.33 63.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.934 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -77.84 -44.4 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 63.43 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.67 -9.15 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 63.210000000000001 109.324 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.4 m-20 -86.72 -49.9 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 70.310000000000002 109.378 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.9 t -85.15 -54.97 4.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.439999999999998 110.368 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 453' ' ' ILE . 41.9 m-85 -84.03 47.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 111.041 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.625 ' O ' HD23 ' A' ' 533' ' ' LEU . 66.0 mttt -54.92 159.36 3.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.066 . . . . 75.140000000000001 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 54.009999999999998 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 7.6 p80 -56.77 -18.1 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 74.310000000000002 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 1.3 mpt_? -99.51 -42.0 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 65.329999999999998 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 529' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 8.2 m-30 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.535 0.207 . . . . 74.430000000000007 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.5 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.8 m-80 -111.58 -14.22 13.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 51.409999999999997 109.253 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.776 ' CD2' HD12 ' A' ' 453' ' ' ILE . 3.2 p90 -165.5 147.82 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -106.4 114.61 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 72.209999999999994 109.322 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.774 HD11 ' HE2' ' A' ' 397' ' ' PHE . 41.3 mt -89.48 101.41 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 63.340000000000003 109.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 427' ' ' PHE . 2.3 mm? -79.81 122.71 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.299999999999997 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.5 p80 -157.32 165.14 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.618 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.69 -162.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.150000000000006 109.277 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.12 -11.54 21.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 75.150000000000006 110.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.52 16.63 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.708 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.3 OUTLIER -123.89 26.44 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.5 109.264 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 22.4 tt0 -66.89 -76.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 110.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 408' ' ' ILE . 8.5 p-80 -38.34 -31.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 71.129999999999995 109.536 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 407' ' ' HIS . 22.8 mt -63.65 -57.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.310000000000002 109.35 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -63.45 -50.43 69.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.019999999999996 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.4 mt -49.55 -24.96 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.439999999999998 109.379 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -80.35 -33.13 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 62.200000000000003 110.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.7 t -74.12 -54.27 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 62.549999999999997 109.262 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.466 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 8.5 mtm180 -36.56 -49.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 61.020000000000003 110.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 415' ' ' LYS . 95.0 mt-10 -66.53 -59.01 4.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 54.439999999999998 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.69 -50.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 75.140000000000001 109.298 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 97.0 mt -48.92 -57.3 6.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 74.420000000000002 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 34.2 mt-10 -38.52 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 63.32 110.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -66.02 -54.5 25.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.48 1.112 . . . . 51.299999999999997 109.358 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.855 HD13 HG11 ' A' ' 524' ' ' VAL . 1.9 mt -65.91 -45.72 80.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 62.219999999999999 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.63 -71.75 0.13 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.444 1.09 . . . . 70.219999999999999 110.936 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.62 137.53 1.08 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 71.040000000000006 109.297 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' A' ' 417' ' ' GLU . 18.2 Cg_endo -74.91 -167.9 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 73.420000000000002 111.04 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.503 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -55.11 -45.49 75.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.329 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.713 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.22 -94.93 1.81 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 52.329999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.76 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 71.519999999999996 109.262 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 7.1 p -151.82 142.9 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 54.539999999999999 110.393 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.598 ' HB2' HD22 ' A' ' 400' ' ' LEU . 3.3 m-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.319999999999993 110.953 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 21.2 pt20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.361 -0.237 . . . . 62.420000000000002 110.361 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 23.3 t70 -60.99 -15.41 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 74.510000000000005 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 72.219999999999999 109.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.46 HG22 ' OE1' ' A' ' 480' ' ' GLN . 6.2 mt -56.61 -31.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 74.329999999999998 109.368 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.588 ' OD2' ' CE1' ' A' ' 448' ' ' HIS . 4.8 p-10 -96.77 -56.73 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.230000000000004 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.588 ' CE1' ' OD2' ' A' ' 447' ' ' ASP . 1.6 m-70 -60.87 -62.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 109.591 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 445' ' ' ALA . 1.1 p -71.31 157.68 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 64.439999999999998 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 533' ' ' LEU . . . -71.85 -78.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 53.409999999999997 109.255 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.2 m-85 -116.38 129.1 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 72.109999999999999 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 398' ' ' VAL . 27.4 mm -69.17 129.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 397' ' ' PHE . 2.9 mt -106.96 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.526 HD12 ' CB ' ' A' ' 465' ' ' SER . 2.6 mm? -102.93 104.85 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 457' ' ' THR . 8.6 tp -69.85 86.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 73.409999999999997 109.323 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 488' ' ' PRO . 7.8 mt -65.57 92.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 63.310000000000002 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.708 HG21 ' OD2' ' A' ' 405' ' ' ASP . 16.5 p -129.96 145.2 51.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 110.37 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 82.1 p -56.87 -18.11 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.129999999999995 109.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -86.31 -25.75 25.28 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 62.210000000000001 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 49.3 t80 -107.38 172.59 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 63.439999999999998 110.995 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -115.4 141.26 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.662 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.4 m -92.09 -54.85 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 31.34 108.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.3 OUTLIER -38.64 -57.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.209999999999994 110.37 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.437 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 1.4 tm? -44.67 -65.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.030000000000001 109.313 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.526 ' CB ' HD12 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.0 -62.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 53.310000000000002 109.9 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.3 OUTLIER -51.66 -23.08 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.321 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 463' ' ' ARG . 0.2 OUTLIER -86.57 -28.96 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 71.019999999999996 109.582 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 465' ' ' SER . 9.0 mt-30 -83.06 -62.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 62.530000000000001 110.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.3 p -42.12 -43.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.499 ' OD1' HD22 ' A' ' 466' ' ' LEU . 3.0 m120 -61.45 -67.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 1.184 . . . . 72.319999999999993 109.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.0 mm100 -38.63 -46.46 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 54.009999999999998 110.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -61.96 -51.69 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 44.149999999999999 109.355 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.492 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 4.4 mtt -51.5 -68.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 111.056 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.785 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -55.59 -17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 74.129999999999995 110.934 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 4.4 m -84.49 -27.24 27.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 54.310000000000002 109.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 48.7 t30 -137.81 86.88 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 54.340000000000003 109.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.785 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.6 mt -111.03 -20.71 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.109999999999999 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.4 t -77.01 0.8 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 61.439999999999998 110.389 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 7.6 mmt85 -103.2 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 110.324 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.46 ' OE1' HG22 ' A' ' 446' ' ' ILE . 5.8 pt20 -116.7 -35.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 75.099999999999994 110.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 42.26 54.56 4.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 53.520000000000003 110.975 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 4.7 m -113.13 94.76 31.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.120000000000005 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.478 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -75.01 1.17 8.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.55 1.816 . . . . 70.230000000000004 111.042 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.57 26.58 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 63.210000000000001 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.446 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 32.0 p -107.01 24.41 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 65.209999999999994 108.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 1.029 ' O ' HD13 ' A' ' 487' ' ' ILE . 4.4 t -111.12 124.82 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.219999999999999 109.365 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 1.029 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.0 mm -137.55 94.89 11.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.200000000000003 109.224 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.659 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 100.9 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 74.230000000000004 110.993 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 454' ' ' LEU . 6.1 t80 -78.06 168.49 19.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 61.049999999999997 110.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -151.31 100.42 2.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 54.200000000000003 109.346 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -74.93 147.57 34.43 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.405 1.74 . . . . 72.340000000000003 111.038 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.4 mp -53.65 -39.18 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 73.140000000000001 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.94 -28.6 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.439999999999998 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -114.91 177.74 4.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 71.340000000000003 110.049 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.39 159.33 42.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 54.119999999999997 110.061 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.658 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.96 -25.9 11.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 72.439999999999998 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -68.4 -22.62 64.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 54.420000000000002 109.241 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 5.0 mt-30 -77.14 -10.37 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.662 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.5 mt -96.88 160.29 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 109.294 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 158.73 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.591 1.182 . . . . 42.119999999999997 110.02 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 12.4 t -67.79 -10.14 50.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 42.350000000000001 109.944 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 505' ' ' SER . 27.1 m-20 -80.82 -37.34 30.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.379 1.049 . . . . 74.439999999999998 109.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 507' ' ' LEU . 19.5 m -41.35 -53.31 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 72.140000000000001 110.385 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.11 -39.99 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 75.019999999999996 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 502' ' ' ASP . 67.2 m -79.07 -27.17 43.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 64.019999999999996 110.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.7 mt -66.44 -26.45 67.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.483 1.114 . . . . 74.030000000000001 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.83 24.77 7.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 73.409999999999997 109.292 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -31.73 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.088 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -104.94 -29.38 5.25 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 61.420000000000002 110.944 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.85 -178.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 72.140000000000001 109.294 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.2 t -119.7 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 72.319999999999993 109.323 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 507' ' ' LEU . 12.4 ttp180 -53.68 105.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 71.049999999999997 110.281 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.571 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.8 tp -83.55 130.34 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 54.530000000000001 109.342 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.54 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 14.6 m-20 -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.42 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 19.8 tp10 -114.91 -13.15 11.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.147 . . . . 74.239999999999995 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.453 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -97.12 -18.91 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 64.510000000000005 109.59 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.83 134.41 46.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 110.052 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.13 4.06 21.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 64.420000000000002 110.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.734 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.17 -25.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.296 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.0 t80 -40.16 -35.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 73.400000000000006 111.049 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.75 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.73 -47.35 73.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.265 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.705 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.46 -19.0 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 64.209999999999994 110.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.734 ' CD ' HD11 ' A' ' 519' ' ' ILE . 18.1 mmmt -75.19 -44.37 46.92 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 63.340000000000003 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -72.78 -40.53 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.378 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.66 -3.13 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 72.25 109.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -97.77 -33.96 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 73.439999999999998 109.296 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.7 t -100.99 -54.55 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 52.0 m-85 -84.91 56.76 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 111.049 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.9 mttt -72.03 154.57 92.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -10.59 21.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 64.099999999999994 110.965 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.56 -12.0 21.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 65.129999999999995 109.557 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 19.3 mmt180 -97.62 -42.32 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 74.310000000000002 110.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.7 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.035 . . . . 73.209999999999994 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 425' ' ' ALA . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.531 0.205 . . . . 74.340000000000003 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.774 ' OD1' HD13 ' A' ' 533' ' ' LEU . 21.3 m-80 -113.36 -12.84 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 75.239999999999995 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.925 ' CD2' HD12 ' A' ' 453' ' ' ILE . 18.7 p90 -172.16 127.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.989 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.947 HG12 HG23 ' A' ' 452' ' ' ILE . 2.7 p -89.33 107.28 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 70.5 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.721 HD11 ' HE2' ' A' ' 397' ' ' PHE . 77.1 mt -74.22 98.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 62.450000000000003 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 427' ' ' PHE . 1.6 mt -80.88 103.89 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 75.420000000000002 109.361 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.606 ' CB ' HD23 ' A' ' 455' ' ' LEU . 18.2 p80 -136.61 172.45 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 62.43 109.534 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -66.9 -161.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.372 1.045 . . . . 72.530000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -27.42 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 72.430000000000007 110.349 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -95.6 16.84 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 35.229999999999997 109.323 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.4 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.6 OUTLIER -121.42 27.69 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 62.32 109.24 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.0 tt0 -65.59 -75.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 408' ' ' ILE . 9.9 p-80 -38.02 -36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.622 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.521 HG13 ' CE1' ' A' ' 407' ' ' HIS . 41.8 mt -58.26 -60.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.399 1.062 . . . . 75.420000000000002 109.259 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -60.65 -51.87 67.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 61.219999999999999 109.341 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -50.32 -27.76 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 71.420000000000002 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -78.23 -31.31 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 73.420000000000002 110.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -76.27 -55.14 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 64.209999999999994 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -34.57 -49.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 71.450000000000003 110.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 415' ' ' LYS . 68.0 mm-40 -68.15 -58.45 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 70.109999999999999 110.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -39.9 -56.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 73.200000000000003 109.233 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.95 ' HB3' HG13 ' A' ' 421' ' ' VAL . 46.0 mt -39.32 -56.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.209999999999994 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' LEU . 17.3 mt-10 -36.8 -49.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 54.109999999999999 110.415 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -47.72 -48.25 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 109.386 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 521' ' ' ALA . 3.6 mt -71.52 -46.03 60.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 61.409999999999997 109.315 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 166.87 -72.57 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 61.329999999999998 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.95 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.37 137.02 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.408 0.711 . . . . 74.420000000000002 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.01 -169.13 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.53 1.805 . . . . 51.530000000000001 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.514 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -53.72 -46.51 70.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 65.329999999999998 109.325 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.77 -94.34 1.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 54.299999999999997 111.044 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.72 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.737 . . . . 53.210000000000001 109.4 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.6 p -146.61 168.39 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 54.340000000000003 110.356 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 400' ' ' LEU . 11.3 t80 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 73.310000000000002 111.02 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.56 ' O ' HG22 ' A' ' 446' ' ' ILE . 25.7 mt-30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.26 -0.274 . . . . 75.219999999999999 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.4 t70 -76.01 -11.7 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 73.239999999999995 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.631 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -83.88 -18.69 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 42.229999999999997 109.233 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 452' ' ' ILE . 0.8 OUTLIER -76.29 -28.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.329 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.484 ' CB ' ' OE1' ' A' ' 480' ' ' GLN . 0.7 OUTLIER -104.07 -31.15 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 74.019999999999996 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 43.0 t-80 -91.2 21.34 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 75.150000000000006 109.595 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.56 146.83 13.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.239999999999995 109.966 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -50.26 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 73.239999999999995 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -127.32 138.4 53.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 73.209999999999994 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.947 HG23 HG12 ' A' ' 398' ' ' VAL . 21.6 mm -74.74 130.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 70.120000000000005 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.925 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.3 mt -107.64 110.56 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.169 . . . . 73.049999999999997 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.928 HD12 ' CB ' ' A' ' 465' ' ' SER . 1.8 mm? -89.48 101.93 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 62.109999999999999 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.606 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.5 tp -67.3 81.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 507' ' ' LEU . 9.4 mt -64.16 91.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 54.539999999999999 109.377 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 81.6 p -127.88 154.32 45.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 44.399999999999999 110.439 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.3 m -62.29 -14.82 43.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 65.230000000000004 109.904 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.709 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.1 m-20 -92.41 -15.46 27.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 75.019999999999996 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 465' ' ' SER . 26.5 t80 -113.25 174.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.299999999999997 111.043 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 3.0 m-20 -121.09 138.36 54.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.019999999999996 109.314 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.6 m -94.0 -48.33 6.3 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 62.109999999999999 108.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.3 mtt85 -47.05 -24.28 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 75.239999999999995 110.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.7 tm? -88.55 -70.44 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.928 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.1 p -48.27 -58.56 4.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 60.130000000000003 110.02 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 466' ' ' LEU . 2.5 tm? -51.36 -22.54 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 72.239999999999995 109.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -92.97 -26.05 17.72 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.43 1.081 . . . . 63.219999999999999 109.571 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 465' ' ' SER . 4.5 mt-30 -85.47 -10.41 56.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 75.319999999999993 110.288 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 470' ' ' ASN . 7.8 p -99.31 -52.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 65.109999999999999 109.377 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.543 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.8 m120 -48.41 -43.57 34.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 64.239999999999995 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 475' ' ' SER . 23.7 mm-40 -69.94 -39.88 75.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 73.109999999999999 110.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.611 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -54.87 -19.95 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.479 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.8 mtt -88.19 -66.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 60.310000000000002 110.937 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.469 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.7 ptm -61.73 -12.49 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 72.150000000000006 110.883 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 20.1 t -95.92 -13.86 23.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.164 . . . . 62.130000000000003 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 50.3 t30 -148.9 86.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 64.540000000000006 109.26 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 473' ' ' MET . 6.8 mt -110.96 -20.45 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.129999999999995 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.8 t -77.28 0.87 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 63.229999999999997 110.371 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 4.9 mmm180 -103.34 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 74.310000000000002 110.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.484 ' OE1' ' CB ' ' A' ' 447' ' ' ASP . 5.4 pm0 -115.2 -31.63 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.120000000000005 110.245 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 50.5 53.93 22.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 72.030000000000001 111.02 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 97.3 p -113.21 94.8 32.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 62.450000000000003 109.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.98 8.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 74.239999999999995 110.973 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.15 43.61 2.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 61.240000000000002 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 446' ' ' ILE . 27.0 p -111.12 36.48 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 108.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.866 ' HB ' HD22 ' A' ' 510' ' ' LEU . 2.3 t -119.69 121.69 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 61.450000000000003 109.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.635 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 4.8 mm -131.65 90.04 37.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 109.261 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.594 ' HG3' HD12 ' A' ' 510' ' ' LEU . 18.7 Cg_endo -74.89 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.424 1.749 . . . . 52.219999999999999 111.065 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.9 t80 -77.82 168.86 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 495' ' ' SER . 1.0 OUTLIER -148.54 98.86 3.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 71.310000000000002 109.319 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.11 168.42 24.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 71.239999999999995 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.4 mp -74.71 -26.13 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.5 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.416 ' CB ' HD11 ' A' ' 408' ' ' ILE . 4.2 mm-40 -63.72 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 110.39 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 21.3 m -121.82 178.53 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 42.240000000000002 109.96 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.31 163.65 27.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 61.439999999999998 110.049 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.442 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.02 -31.92 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 74.519999999999996 111.022 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.06 69.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 30.309999999999999 109.386 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -7.41 51.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.317 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 503' ' ' THR . 9.6 mt -98.32 163.19 12.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 64.150000000000006 109.304 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.85 159.01 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.02 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -68.88 -12.73 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 73.129999999999995 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -86.69 -36.21 18.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 72.239999999999995 109.317 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.852 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -43.47 -26.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 71.239999999999995 110.454 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -68.38 -48.48 64.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 65.209999999999994 109.247 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 502' ' ' ASP . 12.4 t -75.41 -19.19 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 55.549999999999997 110.01 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 503' ' ' THR . 19.0 mt -76.29 -28.5 57.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.195 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 456' ' ' LEU . 3.9 pp -112.89 15.0 19.87 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.563 1.165 . . . . 64.049999999999997 109.258 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.61 98.03 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 73.409999999999997 110.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 132.05 -12.72 5.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 72.5 111.016 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.866 HD22 ' HB ' ' A' ' 486' ' ' VAL . 7.8 mt -90.03 171.81 9.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 62.140000000000001 109.245 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 511' ' ' VAL . 25.1 t -108.05 85.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 72.040000000000006 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 17.4 ttp180 -71.36 129.13 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 65.319999999999993 110.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.635 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -100.73 169.88 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.510000000000005 109.329 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -140.8 137.69 33.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.310000000000002 109.248 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 11.0 tp10 -93.23 5.62 50.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 61.039999999999999 110.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.439 ' NE2' ' OD1' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -127.87 15.56 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 65.219999999999999 109.614 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 517' ' ' SER . . . . . 0.425 ' OG ' HG23 ' A' ' 519' ' ' ILE . 8.1 t -104.69 152.42 22.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.019999999999996 110.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.0 -1.59 48.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 63.420000000000002 110.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.793 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.99 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.775 ' CE2' HD11 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -40.61 -33.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.91 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -58.07 -46.8 84.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 51.43 109.386 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.23 -22.75 60.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 75.230000000000004 110.365 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.793 ' CD ' HD11 ' A' ' 519' ' ' ILE . 26.4 mmmt -71.65 -52.49 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.668 HG11 HD13 ' A' ' 419' ' ' LEU . 0.9 OUTLIER -64.7 -38.12 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.643 1.214 . . . . 71.340000000000003 109.343 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.15 -2.89 29.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 65.540000000000006 109.366 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -102.54 -35.27 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 75.219999999999999 109.255 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 1.0 OUTLIER -95.76 -52.89 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 110.405 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 453' ' ' ILE . 37.0 m-85 -89.23 41.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 53.100000000000001 111.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.67 ' O ' HD23 ' A' ' 533' ' ' LEU . 30.6 mttt -40.79 160.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.226 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 75.200000000000003 111.054 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.2 OUTLIER -52.91 -20.9 3.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 64.430000000000007 109.614 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.64 -35.55 17.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 110.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.774 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.467 0.175 . . . . 65.450000000000003 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 533' ' ' LEU . 2.1 m120 -113.78 -11.35 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 65.400000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.886 ' CD2' HD12 ' A' ' 453' ' ' ILE . 9.8 p90 -173.1 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.219999999999999 110.923 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.938 HG12 HG23 ' A' ' 452' ' ' ILE . 2.5 p -95.2 113.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.812 HD11 ' HE2' ' A' ' 397' ' ' PHE . 68.0 mt -85.47 103.13 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.0 mt -79.1 129.39 34.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 63.549999999999997 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 409' ' ' ALA . 2.1 p80 -166.02 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.624 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.642 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.98 155.49 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 109.327 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -15.87 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.129999999999995 110.283 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -97.06 17.27 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.642 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 30.8 m-20 -138.94 22.46 2.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 72.209999999999994 109.307 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 20.3 tt0 -65.53 -71.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 406' ' ' GLU . 16.1 p-80 -37.06 -36.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 72.140000000000001 109.572 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 493' ' ' GLU . 36.2 mt -59.9 -60.94 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 70.219999999999999 109.272 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.536 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -58.1 -51.52 69.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 53.350000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.6 mt -48.72 -28.01 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 109.236 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -77.16 -33.49 56.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 110.33 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.9 t -75.0 -53.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.09 -48.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 73.319999999999993 110.254 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 58.2 mt-10 -68.85 -59.78 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.420000000000002 110.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -55.23 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 71.209999999999994 109.276 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 96.0 mt -41.01 -56.61 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.296 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 7.3 mt-10 -35.78 -42.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.26 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -52.58 -54.44 32.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 524' ' ' VAL . 1.6 mt -65.98 -45.73 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 61.439999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.78 -69.95 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.34 137.72 0.98 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.448 0.734 . . . . 73.430000000000007 109.288 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.08 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.396 1.735 . . . . 75.310000000000002 110.974 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.496 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.2 p-10 -58.86 -44.68 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 64.319999999999993 109.268 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.08 -94.56 1.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 55.409999999999997 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.11 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.593 0.82 . . . . 61.200000000000003 109.226 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 7.3 p -149.47 146.81 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.357 1.036 . . . . 64.420000000000002 110.4 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.628 ' HB2' HG22 ' A' ' 398' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 63.229999999999997 111.033 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.455 ' CB ' ' CB ' ' A' ' 472' ' ' ALA . 15.4 pt20 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.303 -0.258 . . . . 70.219999999999999 110.303 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.7 m-20 -61.61 -20.2 63.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.556 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -85.24 -35.37 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 72.010000000000005 109.321 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 469' ' ' VAL . 3.6 mt -62.82 -23.96 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -102.53 -57.72 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 75.140000000000001 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 15.8 m170 -64.71 -54.81 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.409999999999997 109.573 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.418 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -79.99 154.12 28.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 74.450000000000003 109.994 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -65.95 -75.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 62.140000000000001 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.568 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 5.0 m-85 -124.74 136.89 54.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.988 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.938 HG23 HG12 ' A' ' 398' ' ' VAL . 17.7 mm -76.56 131.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.067 . . . . 62.310000000000002 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.886 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.7 mt -107.05 122.3 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 109.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 465' ' ' SER . 2.2 mt -99.99 100.03 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.209999999999994 109.248 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -64.85 82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.372 1.045 . . . . 74.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' ' 499' ' ' LEU . 8.6 mt -62.24 90.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 75.099999999999994 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 455' ' ' LEU . 43.3 p -124.43 152.22 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 71.530000000000001 110.416 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 34.9 t -61.79 -13.84 27.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.29 -22.61 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 75.120000000000005 109.264 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.2 t80 -102.82 167.49 9.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 62.329999999999998 111.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -112.61 133.5 54.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 75.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.582 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.6 m -78.93 -60.69 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 108.24 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 1.7 mmm180 -39.64 -31.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 75.150000000000006 110.288 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -65.83 -71.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 72.450000000000003 109.328 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 454' ' ' LEU . 6.9 p -39.16 -61.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.976 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.8 tm? -51.78 -40.06 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 74.319999999999993 109.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 464' ' ' LEU . 19.6 t60 -69.69 -24.29 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.61 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 464' ' ' LEU . 5.7 mt-30 -85.64 -71.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 110.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 446' ' ' ILE . 13.2 p -40.3 -39.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 63.539999999999999 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.7 m120 -51.61 -66.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.439999999999998 109.274 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 475' ' ' SER . 14.8 mt-30 -42.16 -46.26 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.378 1.049 . . . . 60.240000000000002 110.259 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.672 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -58.58 -44.0 89.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.420000000000002 109.293 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 9.5 mtt -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 61.149999999999999 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.403 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.9 OUTLIER -66.06 -9.1 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 110.98 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 2.9 t -77.86 -52.51 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 54.409999999999997 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.655 ' N ' HD21 ' A' ' 476' ' ' ASN . 0.0 OUTLIER -137.63 91.75 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 44.399999999999999 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 473' ' ' MET . 16.1 mt -87.82 -40.41 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 72.25 109.295 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.0 t -60.91 -14.13 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 74.530000000000001 110.401 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.12 -78.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 52.310000000000002 110.349 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -113.93 -30.83 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 110.263 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 480' ' ' GLN . . . 36.94 51.19 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 54.130000000000003 110.975 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.9 m -113.03 94.93 32.38 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 73.310000000000002 110.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.488 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.09 0.33 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.668 1.878 . . . . 62.450000000000003 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.88 16.21 21.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.397 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.448 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 24.1 p -94.64 27.35 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 108.369 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.57 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.3 t -118.92 112.07 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 63.350000000000001 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.714 HG22 HD22 ' A' ' 513' ' ' LEU . 3.3 mm -127.17 95.81 35.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.1 Cg_endo -74.98 102.05 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 63.509999999999998 110.975 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.622 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -78.02 159.72 28.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 71.450000000000003 111.019 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -139.37 97.73 8.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 65.109999999999999 109.23 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.645 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 145.84 31.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 72.109999999999999 110.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.686 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.5 mt -58.4 -17.17 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 72.099999999999994 109.292 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.523 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.4 mm-40 -71.37 -28.14 63.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 63.210000000000001 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 15.2 m -122.03 -176.31 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.020000000000003 109.933 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.04 163.13 30.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 61.130000000000003 109.955 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -30.14 7.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 73.109999999999999 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.2 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 64.299999999999997 109.331 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.2 mt-30 -69.52 -10.15 56.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.072 . . . . 74.040000000000006 110.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 456' ' ' LEU . 4.8 mt -100.69 167.22 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 54.109999999999999 109.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 29.2 m -68.82 159.03 33.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 75.549999999999997 110.077 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 42.0 t -69.81 -12.02 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.379 1.05 . . . . 71.040000000000006 110.027 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 505' ' ' SER . 11.3 m-20 -82.53 -35.67 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.048 . . . . 64.430000000000007 109.245 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.883 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.9 m -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 71.540000000000006 110.406 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.39 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 34.119999999999997 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 502' ' ' ASP . 14.6 t -74.95 -23.0 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 503' ' ' THR . 33.0 mt -69.42 -35.81 76.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 54.43 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.28 19.41 18.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 72.019999999999996 109.327 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.3 t -59.37 103.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 73.040000000000006 109.937 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.88 -24.17 10.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.219999999999999 110.963 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.22 -175.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 74.209999999999994 109.238 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.467 HG13 ' HE2' ' A' ' 523' ' ' LYS . 5.8 t -123.02 106.99 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 61.439999999999998 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 9.1 ttp-105 -78.55 132.02 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 54.539999999999999 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.714 HD22 HG22 ' A' ' 487' ' ' ILE . 0.2 OUTLIER -100.68 146.52 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.1 m-20 -145.61 131.37 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 60.439999999999998 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.561 ' HB2' HD21 ' A' ' 492' ' ' LEU . 1.1 mt-10 -73.84 -3.4 28.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 110.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.686 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.3 p-80 -120.88 45.16 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.129999999999995 109.508 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t -136.37 126.05 25.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 70.010000000000005 109.97 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -74.72 -2.01 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 64.319999999999993 110.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.61 -28.37 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.225 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 0.2 OUTLIER -39.21 -36.83 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.020000000000003 111.04 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.34 -47.65 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.109999999999999 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -72.32 -23.02 61.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.140000000000001 110.308 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.772 ' CD ' HD11 ' A' ' 519' ' ' ILE . 23.2 mmmt -70.82 -44.62 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 109.294 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 419' ' ' LEU . 2.1 p -76.1 -43.22 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 61.509999999999998 109.318 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.83 -9.77 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.420000000000002 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.3 m-20 -85.12 -53.8 5.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 63.310000000000002 109.25 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 528' ' ' PHE . 11.8 t -79.14 -53.7 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 61.539999999999999 110.363 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 453' ' ' ILE . 56.9 m-85 -86.67 59.02 5.39 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.575 1.172 . . . . 74.140000000000001 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.519 ' O ' HD23 ' A' ' 533' ' ' LEU . 56.2 mttt -69.54 153.75 95.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.062 . . . . 32.43 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.98 9.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 73.019999999999996 110.986 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -71.5 -11.11 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.349999999999994 109.649 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -101.99 -52.5 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 110.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.584 HD12 ' OD1' ' A' ' 396' ' ' ASN . 2.5 mm? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 71.140000000000001 109.325 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 17.6 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.529 0.204 . . . . 72.140000000000001 110.982 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 533' ' ' LEU . 2.2 m-80 -122.42 -0.35 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.140000000000001 109.225 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.849 ' CE2' HD12 ' A' ' 416' ' ' LEU . 9.7 p90 -178.78 166.96 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 110.984 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 427' ' ' PHE . 2.5 t -130.35 100.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 71.420000000000002 109.266 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 397' ' ' PHE . 68.4 mt -76.58 96.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 73.310000000000002 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.917 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -76.28 116.36 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 63.25 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.545 ' CB ' HD23 ' A' ' 455' ' ' LEU . 19.4 p80 -146.85 175.01 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.200000000000003 109.587 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -71.49 -163.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -13.12 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 33.340000000000003 110.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 16.71 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.431 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -123.6 30.63 6.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 61.420000000000002 109.264 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.523 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.3 tt0 -67.07 -76.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 110.301 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.535 ' CE1' HG13 ' A' ' 408' ' ' ILE . 5.7 p-80 -37.26 -42.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 109.622 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.535 HG13 ' CE1' ' A' ' 407' ' ' HIS . 69.7 mt -55.16 -58.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.200000000000003 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.99 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 74.5 109.251 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 406' ' ' GLU . 10.0 mp -60.21 -15.52 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 109.261 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -78.62 -23.96 45.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 71.120000000000005 110.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.8 t -90.1 -53.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 72.409999999999997 109.381 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.471 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 7.4 mtm180 -35.69 -40.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.567 1.167 . . . . 71.530000000000001 110.322 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.97 -53.15 11.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.430000000000007 110.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 412' ' ' VAL . 0.4 OUTLIER -53.97 -24.79 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 65.109999999999999 109.306 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.974 ' HB3' HG13 ' A' ' 421' ' ' VAL . 9.0 mt -69.7 -33.87 73.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 55.219999999999999 109.34 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.06 -8.12 54.97 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 42.240000000000002 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -96.49 -3.11 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 50.049999999999997 109.287 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.695 HD13 HG11 ' A' ' 524' ' ' VAL . 3.7 mt -118.49 -42.19 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 72.219999999999999 109.306 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 166.98 -65.6 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.575 1.172 . . . . 73.120000000000005 111.015 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.974 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.2 p -52.14 143.04 26.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.386 0.698 . . . . 65.299999999999997 109.369 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.94 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 72.340000000000003 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.9 OUTLIER -71.4 -17.04 62.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.150000000000006 109.321 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 54.32 -95.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.429 1.08 . . . . 60.520000000000003 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.98 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 32.549999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.9 p -151.65 145.19 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 63.32 110.358 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.605 ' HB2' HG13 ' A' ' 398' ' ' VAL . 18.9 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 74.209999999999994 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 36.1 mt-30 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.275 -0.269 . . . . 74.439999999999998 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.539 ' CG ' ' CD2' ' A' ' 448' ' ' HIS . 7.1 t0 -67.39 -28.51 67.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 73.329999999999998 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 398' ' ' VAL . . . -72.79 -5.75 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 72.239999999999995 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.546 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 8.6 mt -104.37 -21.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.54 ' OD1' ' CG ' ' A' ' 448' ' ' HIS . 3.8 p-10 -103.66 -12.38 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 62.219999999999999 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.54 ' CG ' ' OD1' ' A' ' 447' ' ' ASP . 5.3 m-70 -115.39 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 109.576 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.453 ' OG ' ' CA ' ' A' ' 397' ' ' PHE . 0.1 OUTLIER -70.92 163.31 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 64.209999999999994 109.989 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -75.68 -76.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 72.25 109.397 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 1.4 m-85 -123.72 136.16 54.28 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.449 1.093 . . . . 64.120000000000005 110.978 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 445' ' ' ALA . 2.7 mm -77.17 138.6 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 75.239999999999995 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.548 HG21 HG12 ' A' ' 399' ' ' ILE . 5.9 mt -111.93 113.8 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 465' ' ' SER . 0.7 OUTLIER -92.7 93.03 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 63.329999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 489' ' ' PHE . 9.6 tp -63.47 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 60.409999999999997 109.242 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 488' ' ' PRO . 7.6 mt -62.34 84.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 75.549999999999997 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.476 HG22 ' CD ' ' A' ' 491' ' ' PRO . 37.7 p -123.99 150.83 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 110.482 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -15.46 36.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 72.349999999999994 110.069 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.77 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 50.4 m-20 -89.27 -18.32 27.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 62.119999999999997 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.917 ' CE1' HD22 ' A' ' 400' ' ' LEU . 50.7 t80 -115.54 168.97 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 73.450000000000003 111.063 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.569 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 5.5 t0 -107.76 130.17 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 53.5 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.92 -53.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 43.299999999999997 108.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -38.88 -45.74 1.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.083 . . . . 71.319999999999993 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.1 tm? -73.1 -57.88 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 62.509999999999998 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.916 ' HB2' HD12 ' A' ' 454' ' ' LEU . 6.7 p -38.84 -62.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 64.540000000000006 110.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.506 HD13 ' CG ' ' A' ' 470' ' ' ASN . 2.3 tm? -52.32 -39.23 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 63.450000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.0 t60 -58.44 -45.98 87.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 75.450000000000003 109.646 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.498 ' OE1' HD11 ' A' ' 400' ' ' LEU . 10.5 mt-30 -60.15 -70.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 64.319999999999993 110.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.006 HG21 HG22 ' A' ' 486' ' ' VAL . 8.7 p -45.01 -40.23 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 73.25 109.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.506 ' CG ' HD13 ' A' ' 466' ' ' LEU . 3.4 m-20 -59.62 -74.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 73.430000000000007 109.28 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.55 ' O ' ' HE3' ' A' ' 474' ' ' MET . 4.3 mm100 -38.26 -47.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 25.43 110.29 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -56.41 -51.92 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 54.109999999999999 109.313 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.74 ' HE1' HG23 ' A' ' 486' ' ' VAL . 19.9 mtt -54.93 -74.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 74.129999999999995 111.01 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.617 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -46.93 -23.59 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.441 1.088 . . . . 73.099999999999994 111.065 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 15.0 t -77.92 -37.31 48.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 72.230000000000004 110.045 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 473' ' ' MET . 2.4 t-20 -137.41 92.73 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 65.120000000000005 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.0 mt -106.77 -25.66 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 72.439999999999998 109.256 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.2 t -61.63 -12.82 17.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 62.039999999999999 110.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -99.33 -69.81 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 72.219999999999999 110.242 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.546 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 0.0 OUTLIER -91.07 -51.11 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 65.430000000000007 110.292 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 51.64 23.66 10.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 42.32 111.008 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.7 m -120.91 102.08 44.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 70.430000000000007 110.062 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -74.95 0.38 8.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 75.140000000000001 111.049 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.94 -4.34 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.604 1.19 . . . . 74.439999999999998 109.339 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 29.5 m -62.23 -19.89 63.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.400000000000006 108.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 1.006 HG22 HG21 ' A' ' 469' ' ' VAL . 39.3 t -74.41 123.51 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 62.329999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.5 mm -127.12 93.65 41.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.030000000000001 109.331 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.461 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.97 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 74.420000000000002 110.975 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.608 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.2 t80 -84.55 158.17 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 70.400000000000006 110.966 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.9 tm? -140.66 105.63 6.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 63.119999999999997 109.322 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.06 172.24 16.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 71.049999999999997 110.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -75.69 -32.22 60.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.409999999999997 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.46 -37.67 83.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 71.319999999999993 110.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 0.7 OUTLIER -105.06 166.11 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 72.239999999999995 110.009 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.524 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.12 167.11 14.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 45.210000000000001 109.964 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.28 3.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.556 1.819 . . . . 73.310000000000002 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.76 -27.9 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 70.030000000000001 109.307 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.12 -13.31 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 70.209999999999994 110.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.737 ' CB ' HG21 ' A' ' 503' ' ' THR . 6.7 mt -93.06 169.87 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 63.039999999999999 109.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.2 t -63.3 -175.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 72.439999999999998 109.978 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -30.54 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.530000000000001 110.033 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 505' ' ' SER . 43.9 m-20 -76.54 -33.37 58.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.214 . . . . 72.319999999999993 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.892 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -45.0 -25.95 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 65.239999999999995 110.388 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.66 47.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.356 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -78.15 -15.8 58.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 110.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.7 mt -71.59 -28.3 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 63.520000000000003 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.0 pp -109.53 9.71 25.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 72.010000000000005 109.379 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.0 t -62.65 105.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 64.209999999999994 110.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.6 -22.19 12.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 110.95 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.37 -174.37 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 0.713 . . . . 74.109999999999999 109.3 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 511' ' ' VAL . 13.8 t -111.19 92.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.426 ' NE ' ' OD1' ' A' ' 514' ' ' ASP . 1.1 tmm_? -59.74 102.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.219999999999999 110.345 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 513' ' ' LEU . 6.7 tp -81.84 145.87 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 73.510000000000005 109.252 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.7 m-20 -140.38 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.294 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.3 tp10 -111.07 -30.0 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 61.109999999999999 110.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.17 21.84 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.400000000000006 109.578 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.3 t -106.04 135.37 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 75.310000000000002 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.69 -1.44 46.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 63.340000000000003 110.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.747 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.49 -25.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 73.409999999999997 109.29 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.2 t80 -40.17 -35.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 63.109999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.33 76.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 53.039999999999999 109.289 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.1 -19.37 60.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 70.099999999999994 110.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.747 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.8 mmmt -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 73.219999999999999 109.267 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.695 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -73.97 -40.6 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 73.150000000000006 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.54 -4.58 34.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 70.099999999999994 109.318 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 7.7 m-20 -95.12 -41.37 9.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 64.129999999999995 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.6 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 13.2 t -94.3 -53.45 3.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 71.120000000000005 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 65.0 m-85 -88.53 54.94 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.450000000000003 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.873 ' O ' HD23 ' A' ' 533' ' ' LEU . 23.1 mttt -64.88 153.73 87.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 44.119999999999997 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.98 11.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 71.25 110.987 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.652 ' CD2' ' CD ' ' A' ' 532' ' ' ARG . 52.8 p-80 -84.74 -12.86 52.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.430000000000007 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.652 ' CD ' ' CD2' ' A' ' 531' ' ' HIS . 0.7 OUTLIER -94.05 -19.19 21.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 110.231 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 5.5 m-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.515 0.198 . . . . 62.329999999999998 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.639 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 1.4 m120 -107.31 -5.48 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 71.109999999999999 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.6 p90 -177.75 156.93 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 75.25 110.932 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.834 ' HB ' ' HB1' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -118.71 112.48 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.22 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 397' ' ' PHE . 76.7 mt -88.66 101.46 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.594 1.184 . . . . 71.140000000000001 109.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.627 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -88.4 97.69 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 70.140000000000001 109.258 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 14.9 p80 -128.48 165.3 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 74.5 109.647 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.661 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -59.93 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.307 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -100.22 -9.63 22.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.340000000000003 110.309 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.67 17.16 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.227 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -128.21 36.57 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 73.140000000000001 109.318 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 25.6 tt0 -69.82 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 51.409999999999997 110.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.455 ' CE1' HG13 ' A' ' 408' ' ' ILE . 3.1 p-80 -38.21 -35.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.608 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 407' ' ' HIS . 75.9 mt -58.06 -55.61 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 71.329999999999998 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.83 -48.31 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 60.240000000000002 109.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.2 mt -52.94 -22.26 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 65.530000000000001 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -82.71 -29.63 29.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.592 1.183 . . . . 62.420000000000002 110.161 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 489' ' ' PHE . 11.5 t -78.07 -52.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 73.040000000000006 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 6.5 mtm180 -37.52 -50.69 1.13 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 110.201 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 417' ' ' GLU . 81.7 mt-10 -66.73 -52.98 38.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 74.340000000000003 110.334 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -29.49 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 64.129999999999995 109.351 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.885 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.4 mt -71.49 -37.94 71.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 63.240000000000002 109.289 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.2 mt-10 -72.05 -8.17 53.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 74.5 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.78 -6.88 55.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.010000000000005 109.333 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.8 mt -118.76 -44.92 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 73.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.03 -72.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 110.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -45.24 141.58 3.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.544 0.791 . . . . 65.5 109.335 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.94 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 75.420000000000002 111.061 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.458 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 1.1 p30 -65.92 -19.11 65.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 61.140000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.701 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.58 -95.83 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 73.150000000000006 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.03 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.786 . . . . 71.219999999999999 109.323 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.2 p -152.13 134.15 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 53.299999999999997 110.399 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.46 ' O ' HD23 ' A' ' 400' ' ' LEU . 8.6 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 71.109999999999999 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.507 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 19.7 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.297 -0.26 . . . . 63.240000000000002 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.3 m-20 -70.74 -41.3 72.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.834 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -74.26 -3.64 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 70.219999999999999 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 4.1 mt -88.79 -39.08 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.409999999999997 109.341 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.484 ' OD1' ' CE1' ' A' ' 448' ' ' HIS . 7.9 p30 -104.48 -9.65 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 63.119999999999997 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 2.1 m-70 -115.14 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 50.539999999999999 109.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.69 159.85 27.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -66.99 -72.53 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.566 1.166 . . . . 25.210000000000001 109.245 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 450' ' ' ALA . 13.0 m-85 -134.19 136.32 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 64.400000000000006 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.697 HG23 HG12 ' A' ' 398' ' ' VAL . 36.1 mm -69.41 128.6 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 70.209999999999994 109.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.825 HD12 ' CD1' ' A' ' 397' ' ' PHE . 98.2 mt -107.1 122.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 109.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 465' ' ' SER . 0.6 OUTLIER -109.06 104.38 13.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.314 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 457' ' ' THR . 7.1 tp -68.78 79.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 462' ' ' CYS . 8.6 mt -64.62 90.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 73.120000000000005 109.206 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 455' ' ' LEU . 11.6 p -126.39 156.33 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.0 t -63.97 -12.19 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 65.150000000000006 109.969 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.4 m120 -97.12 -14.8 21.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.627 ' CE1' HD22 ' A' ' 400' ' ' LEU . 55.6 t80 -115.48 172.66 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 71.329999999999998 110.944 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.474 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.8 OUTLIER -114.72 132.07 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 65.329999999999998 109.354 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.551 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.3 p -93.89 -42.4 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 51.450000000000003 108.337 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.48 ' HD3' HD11 ' A' ' 506' ' ' LEU . 20.1 mmm-85 -50.21 -35.4 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 75.049999999999997 110.388 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 465' ' ' SER . 2.5 tm? -76.6 -74.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.257 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.947 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.0 OUTLIER -38.05 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 110.006 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' LEU . 9.7 tt -77.79 -54.41 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 75.219999999999999 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 0.6 OUTLIER -51.54 -49.68 61.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 62.43 109.674 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.465 ' HG3' HD22 ' A' ' 464' ' ' LEU . 32.2 mt-30 -58.01 -74.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 64.239999999999995 110.23 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 466' ' ' LEU . 3.3 p -39.96 -36.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.430000000000007 109.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -63.4 -74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 62.530000000000001 109.243 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.593 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 6.9 mm-40 -39.34 -38.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 70.219999999999999 110.269 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -65.52 -50.41 65.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 74.099999999999994 109.203 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 470' ' ' ASN . 1.5 mmt -59.17 -53.14 61.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 73.120000000000005 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.644 ' HA ' HD21 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -72.3 -3.17 22.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 73.140000000000001 111.013 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.6 t -90.18 -34.42 15.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 110.046 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.447 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 31.3 p-10 -124.65 65.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.383 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 474' ' ' MET . 12.6 mt -72.0 -32.14 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 109.367 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.2 t -74.44 -2.41 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.530000000000001 110.439 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 4.9 mmm180 -95.95 -71.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.7 pp0? -119.49 -35.22 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.209999999999994 110.361 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.552 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 41.59 33.83 1.05 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 53.130000000000003 111.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 473' ' ' MET . 2.1 m -110.15 99.65 40.58 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 62.219999999999999 109.994 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.55 8.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 34.520000000000003 110.916 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -94.67 13.41 24.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 71.329999999999998 109.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.65 37.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 108.37 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.839 ' O ' HD13 ' A' ' 487' ' ' ILE . 29.8 t -129.46 141.69 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 63.109999999999999 109.373 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 486' ' ' VAL . 7.3 mm -142.86 97.3 5.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 73.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.485 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.5 1.789 . . . . 74.319999999999993 111.006 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.1 165.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 111.046 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.1 tm? -149.47 103.14 3.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 71.129999999999995 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.492 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 170.26 20.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.452 1.764 . . . . 74.409999999999997 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -76.23 -24.94 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.408 ' CB ' ' CD1' ' A' ' 408' ' ' ILE . 42.5 mm-40 -64.02 -35.86 82.08 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.495 1.122 . . . . 64.140000000000001 110.286 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 15.6 m -121.48 175.3 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 62.340000000000003 110.025 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.452 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -143.96 166.05 21.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 110.067 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.482 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.94 -34.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 73.120000000000005 111.072 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.33 -27.72 68.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 42.240000000000002 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.93 -9.32 58.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.851 HD12 HG21 ' A' ' 503' ' ' THR . 9.2 mt -94.03 161.81 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 70.109999999999999 109.361 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 52.2 m -62.64 162.43 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.132 . . . . 51.210000000000001 110.02 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 66.6 m -67.41 -9.52 42.48 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.029 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.1 OUTLIER -83.73 -33.74 25.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.29 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.851 HG21 HD12 ' A' ' 499' ' ' LEU . 3.4 m -45.25 -31.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 54.299999999999997 110.357 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 109.222 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 502' ' ' ASP . 27.7 t -80.78 -15.37 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 55.149999999999999 109.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.2 mt -77.22 -36.68 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.140000000000001 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.6 pp -111.36 16.92 20.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 71.239999999999995 109.325 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.1 p -64.16 105.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 44.409999999999997 109.987 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 112.07 -19.56 22.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 73.409999999999997 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.67 -175.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 0.83 . . . . 71.140000000000001 109.244 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 40.7 t -115.47 94.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 75.25 109.291 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.497 ' NH1' HD21 ' A' ' 507' ' ' LEU . 14.1 tpp180 -53.93 121.88 8.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 74.329999999999998 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.599 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -109.66 128.18 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.25 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -118.9 167.62 11.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 75.540000000000006 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 18.5 tt0 -118.61 5.96 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.510000000000005 110.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -121.24 1.4 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 70.239999999999995 109.698 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.23 136.87 32.83 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 72.129999999999995 109.995 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -78.5 2.0 20.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 71.109999999999999 110.294 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.92 -27.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.239999999999995 109.301 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.92 -35.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 110.985 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.533 ' CB ' HD22 ' A' ' 419' ' ' LEU . . . -56.5 -47.2 79.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.045 . . . . 64.420000000000002 109.298 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.732 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.8 mpt_? -73.33 -20.32 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.09 . . . . 72.230000000000004 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.5 mmmt -74.07 -45.52 48.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 74.299999999999997 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.08 -40.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 63.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -72.66 -4.73 32.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.150000000000006 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -95.21 -40.23 9.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 75.230000000000004 109.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -94.0 -54.56 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 75.219999999999999 110.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 527' ' ' THR . 62.9 m-85 -85.36 54.57 3.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 65.420000000000002 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.777 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.6 mttt -67.87 154.36 93.72 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.401 1.063 . . . . 62.210000000000001 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.42 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 71.420000000000002 110.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.407 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.8 p-80 -70.21 -11.74 61.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 62.439999999999998 109.605 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 30.7 mmm180 -94.98 -43.32 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 110.292 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.423 0.154 . . . . 75.409999999999997 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.59 ' N ' ' ND2' ' A' ' 396' ' ' ASN . 0.0 OUTLIER -113.12 -31.38 6.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 109.353 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 416' ' ' LEU . 4.2 p90 -160.34 142.6 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 111.031 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.945 HG12 HG23 ' A' ' 452' ' ' ILE . 3.6 p -110.33 102.34 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.450000000000003 109.364 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.582 HG12 HG21 ' A' ' 453' ' ' ILE . 70.0 mt -70.29 96.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 73.010000000000005 109.269 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 454' ' ' LEU . 9.0 mt -78.48 109.44 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 71.519999999999996 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.662 ' CB ' HD23 ' A' ' 455' ' ' LEU . 22.2 p80 -135.97 -173.05 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.598 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -81.62 -159.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 53.43 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -98.84 -19.53 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 72.140000000000001 110.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.01 16.6 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 54.439999999999998 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.507 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -120.76 29.94 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 70.540000000000006 109.252 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.53 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 17.9 tt0 -72.41 -76.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.409999999999997 110.277 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.2 p-80 -39.09 -36.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 74.349999999999994 109.544 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 407' ' ' HIS . 54.1 mt -58.11 -53.83 40.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 70.239999999999995 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.24 -39.72 93.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.51 1.131 . . . . 62.350000000000001 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.9 mt -59.17 -27.56 65.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.229999999999997 109.326 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 411' ' ' ARG . 8.6 ttp-105 -81.42 -14.61 56.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.519999999999996 110.278 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 3.5 t -90.47 -52.66 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 73.049999999999997 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 6.9 mtm180 -38.22 -54.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 73.209999999999994 110.358 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 415' ' ' LYS . 7.8 mt-10 -60.25 -59.25 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 71.239999999999995 110.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 44.310000000000002 109.273 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.959 ' HB3' HG13 ' A' ' 421' ' ' VAL . 79.1 mt -47.46 -61.29 1.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 75.329999999999998 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 42.4 mt-10 -38.42 -29.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 110.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.47 -54.38 33.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 65.129999999999995 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.928 HD13 HG11 ' A' ' 524' ' ' VAL . 1.0 OUTLIER -68.28 -45.68 72.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 109.376 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.15 -70.02 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 111.033 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.959 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.7 OUTLIER -39.63 142.61 0.62 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.531 0.783 . . . . 64.5 109.3 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.05 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 75.209999999999994 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.3 OUTLIER -68.85 -22.23 64.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 51.25 109.268 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.47 -94.92 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 110.998 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.4 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 72.219999999999999 109.244 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.0 p -153.0 143.71 22.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 74.310000000000002 110.414 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.684 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 2.4 m-30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 74.510000000000005 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.537 ' HB3' ' HB2' ' A' ' 472' ' ' ALA . 1.6 pt20 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.282 -0.266 . . . . 55.329999999999998 110.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.651 ' O ' ' CE1' ' A' ' 448' ' ' HIS . 1.4 t70 -75.24 -3.11 31.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 75.450000000000003 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.508 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -102.18 -45.17 5.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 42.130000000000003 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.733 HD12 HG23 ' A' ' 469' ' ' VAL . 1.7 tt -55.91 -18.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 72.340000000000003 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -82.7 -40.79 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.450000000000003 109.224 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.651 ' CE1' ' O ' ' A' ' 444' ' ' ASP . 0.1 OUTLIER -123.67 49.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 74.239999999999995 109.556 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 4.3 t -157.89 122.82 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 73.439999999999998 110.001 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -40.16 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 63.420000000000002 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 2.1 m-85 -127.76 125.58 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 70.540000000000006 110.982 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.945 HG23 HG12 ' A' ' 398' ' ' VAL . 13.4 mm -71.95 129.58 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 74.409999999999997 109.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.827 HD11 ' CE2' ' A' ' 528' ' ' PHE . 20.1 mt -100.72 140.0 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.010000000000005 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.51 HD13 ' OG ' ' A' ' 465' ' ' SER . 11.6 mt -117.67 104.31 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 70.430000000000007 109.218 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.662 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.4 tp -69.72 91.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.274 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 488' ' ' PRO . 6.1 mt -73.49 94.54 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.109999999999999 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.593 HG22 ' CD ' ' A' ' 491' ' ' PRO . 15.7 p -133.63 152.73 51.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.422 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 29.8 t -61.43 -14.71 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 74.5 109.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 73.1 m-20 -90.16 -18.62 25.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 73.510000000000005 109.357 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 81.6 t80 -114.34 172.97 6.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 64.450000000000003 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.505 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 25.4 t0 -126.02 131.08 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 65.319999999999993 109.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 464' ' ' LEU . 5.1 t -93.95 -44.23 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 70.239999999999995 108.352 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' A' ' 502' ' ' ASP . 7.3 mmt180 -38.79 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 73.209999999999994 110.309 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -86.04 -69.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 109.319 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.51 ' OG ' HD13 ' A' ' 454' ' ' LEU . 3.9 p -40.78 -61.28 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 43.240000000000002 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 466' ' ' LEU . 3.2 tm? -49.31 -37.9 25.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.281 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.6 OUTLIER -72.27 -28.56 63.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.430000000000007 109.565 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 465' ' ' SER . 27.2 mt-30 -81.11 -69.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 72.109999999999999 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 446' ' ' ILE . 5.5 p -40.38 -50.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 72.420000000000002 109.266 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.488 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.2 m120 -42.65 -55.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.609 1.193 . . . . 74.319999999999993 109.321 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.89 -31.25 71.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 73.299999999999997 110.233 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 443' ' ' GLN . . . -62.81 -17.59 61.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 109.311 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.771 ' HE3' HG23 ' A' ' 486' ' ' VAL . 7.7 mtt -90.32 -52.15 5.07 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.473 1.108 . . . . 72.329999999999998 111.034 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -8.27 30.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 71.439999999999998 110.991 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -106.17 -21.83 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 479' ' ' ARG . 28.2 t-20 -112.29 56.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 109.218 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 4.1 mt -95.36 -18.09 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 54.200000000000003 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.3 t -82.73 3.07 30.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 53.530000000000001 110.398 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 447' ' ' ASP . 10.2 tpt180 -112.56 -72.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 50.399999999999999 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 481' ' ' GLY . 3.7 pt20 -119.3 -36.71 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 110.338 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.24 49.78 66.12 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.47 1.106 . . . . 33.25 110.97 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.7 m -117.29 103.17 51.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.578 0.81 . . . . 53.219999999999999 109.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.98 1.16 8.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.434 1.755 . . . . 71.439999999999998 111.056 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -109.2 42.47 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 71.329999999999998 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 446' ' ' ILE . 27.7 p -118.29 37.19 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 71.340000000000003 108.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.946 ' O ' HD13 ' A' ' 487' ' ' ILE . 43.6 t -125.39 134.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 73.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.946 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.6 mm -139.98 96.74 8.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 73.040000000000006 109.374 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.571 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.94 102.53 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 73.409999999999997 111.007 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 5.4 t80 -77.89 169.58 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.415 1.072 . . . . 74.109999999999999 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.5 HD11 ' CD ' ' A' ' 496' ' ' PRO . 2.5 tt -156.93 104.26 1.93 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 55.5 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.593 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.92 171.59 18.0 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.465 1.771 . . . . 71.230000000000004 110.98 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.5 mp -77.86 -22.59 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.263 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.15 -40.28 97.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 64.329999999999998 110.337 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 4.1 m -109.72 -178.63 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.019999999999996 110.023 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -145.8 165.42 21.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 73.510000000000005 109.996 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.5 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -74.91 -31.39 6.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.373 1.723 . . . . 73.120000000000005 111.018 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.83 67.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.7 mt-30 -72.98 -9.16 58.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 52.399999999999999 110.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 503' ' ' THR . 3.2 mt -97.87 164.14 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 109.249 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 66.7 m -66.45 158.65 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 64.219999999999999 110.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.8 m -67.15 -9.57 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 72.019999999999996 109.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.555 ' CG ' HH21 ' A' ' 463' ' ' ARG . 5.0 m-20 -80.96 -37.35 29.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 63.140000000000001 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.967 HG22 HD21 ' A' ' 507' ' ' LEU . 20.0 m -41.21 -52.61 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 73.049999999999997 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.3 13.98 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 71.510000000000005 109.361 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.3 t -78.04 -27.28 48.71 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 54.43 109.989 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 503' ' ' THR . 60.4 mt -67.27 -29.7 69.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.304 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.967 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.03 27.12 7.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 55.210000000000001 109.291 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 61.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 74.319999999999993 109.997 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 162.8 -30.17 0.27 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 63.420000000000002 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 486' ' ' VAL . 15.2 mt -73.07 -173.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 74.019999999999996 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.672 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.0 t -118.19 99.06 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 73.25 109.311 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 512' ' ' ARG . 8.9 ttp-105 -67.58 121.04 15.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 72.319999999999993 110.35 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.2 mp -85.73 130.86 34.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.340000000000003 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -129.38 138.92 51.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 73.400000000000006 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.6 tp10 -84.95 -21.46 29.57 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.115 . . . . 74.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.447 ' CD2' ' HG ' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -97.38 12.66 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 70.319999999999993 109.643 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -97.52 139.14 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 62.219999999999999 110.001 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -5.45 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 61.409999999999997 110.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.771 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.75 -26.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 42.240000000000002 109.339 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.3 OUTLIER -39.7 -36.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 61.43 110.995 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.29 -47.38 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 64.209999999999994 109.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.7 mpt_? -74.13 -19.07 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 72.340000000000003 110.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.771 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.1 mmmt -76.39 -41.46 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 73.530000000000001 109.246 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.928 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -77.17 -39.35 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 71.409999999999997 109.421 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -74.92 -3.3 31.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 62.32 109.294 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.14 -37.7 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 70.200000000000003 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.1 t -93.92 -53.8 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 110.412 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.827 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.2 m-85 -87.62 51.19 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.219999999999999 111.055 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 26.7 mttt -63.36 154.87 77.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 54.229999999999997 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.58 5.3 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.448 1.762 . . . . 62.210000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.9 p-80 -73.7 -6.94 49.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 72.25 109.591 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 49.5 mmm-85 -100.14 -41.92 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.195 . . . . 72.420000000000002 110.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 533' ' ' LEU . 2.2 mt . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 63.329999999999998 109.266 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.521 0.2 . . . . 74.099999999999994 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.613 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 0.0 OUTLIER -112.28 -27.63 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.219999999999999 109.345 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 1.01 ' CD2' HD12 ' A' ' 453' ' ' ILE . 34.2 p90 -173.26 137.79 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 72.5 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.998 HG12 HG23 ' A' ' 452' ' ' ILE . 0.5 OUTLIER -103.95 119.21 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.120000000000005 109.33 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.517 ' C ' HD23 ' A' ' 400' ' ' LEU . 30.1 mt -79.69 137.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 70.329999999999998 109.304 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 399' ' ' ILE . 10.9 mt -111.59 99.75 8.43 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.459 1.1 . . . . 54.32 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.693 ' HB3' HD23 ' A' ' 455' ' ' LEU . 15.4 p80 -141.42 168.7 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.588 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.461 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -72.37 -159.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 64.040000000000006 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -98.96 -11.38 21.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.176 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.7 16.75 24.1 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.589 1.181 . . . . 25.010000000000002 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.41 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.06 25.39 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 70.150000000000006 109.376 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.502 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.2 tt0 -64.81 -76.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.465 1.103 . . . . 62.340000000000003 110.319 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.432 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.3 p-80 -38.06 -32.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.519999999999996 109.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 406' ' ' GLU . 35.5 mt -63.03 -57.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 75.310000000000002 109.248 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -62.77 -50.25 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 61.100000000000001 109.257 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.5 mt -49.13 -29.8 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 65.5 109.405 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -77.03 -31.58 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 73.030000000000001 110.285 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.9 t -73.78 -53.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 109.366 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.2 mtm180 -38.17 -52.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 63.229999999999997 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 417' ' ' GLU . 27.7 mt-10 -66.05 -51.78 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.200000000000003 110.308 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.564 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -47.83 -31.83 5.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.285 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.901 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.7 mt -73.25 -37.54 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 61.240000000000002 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.4 mt-10 -65.93 -8.7 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 75.420000000000002 110.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -95.78 -2.55 47.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 65.310000000000002 109.279 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 524' ' ' VAL . 2.7 mt -118.24 -44.37 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.58 -74.97 0.08 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.589 1.181 . . . . 54.539999999999999 110.99 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.901 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -46.72 140.4 5.96 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.586 0.815 . . . . 72.200000000000003 109.33 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.6 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.0 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 54.299999999999997 111.02 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.75 -45.46 74.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 72.239999999999995 109.257 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.54 -96.47 1.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 53.109999999999999 111.052 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 179.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 64.140000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 6.4 p -151.57 109.97 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 61.119999999999997 110.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.562 ' HB3' HG22 ' A' ' 398' ' ' VAL . 2.0 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 72.230000000000004 111.083 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.367 -0.234 . . . . 65.530000000000001 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -5.13 39.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.574 1.171 . . . . 75.530000000000001 109.273 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.827 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -102.92 -31.46 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 23.34 109.301 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.623 ' N ' HD11 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -71.97 -19.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 109.23 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 448' ' ' HIS . 4.6 p-10 -103.44 -48.62 3.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' A' ' 447' ' ' ASP . 5.9 t-160 -75.74 -55.67 5.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 72.219999999999999 109.551 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -72.26 150.29 43.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 109.997 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -59.23 -75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 71.510000000000005 109.344 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.54 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 19.4 m-85 -127.18 132.41 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.443 1.09 . . . . 74.439999999999998 110.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.998 HG23 HG12 ' A' ' 398' ' ' VAL . 21.4 mm -74.6 131.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 74.150000000000006 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 1.01 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.7 mt -103.97 120.14 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.200000000000003 109.223 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 454' ' ' LEU . 1.5 mt -96.03 92.94 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 401' ' ' HIS . 11.2 tp -63.45 79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.277 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.48 HD22 ' SG ' ' A' ' 462' ' ' CYS . 12.5 mt -64.56 95.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 73.219999999999999 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.463 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 76.5 p -131.67 148.94 52.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 110.368 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.0 p -56.14 -19.04 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.0 -25.06 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.395 1.06 . . . . 64.409999999999997 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 465' ' ' SER . 40.6 t80 -103.01 166.47 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 110.973 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 5.9 t0 -111.79 135.02 52.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 70.230000000000004 109.266 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.807 ' O ' HD12 ' A' ' 466' ' ' LEU . 3.2 m -93.9 -51.44 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 41.450000000000003 108.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' CYS . 34.5 mtp180 -37.4 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 72.019999999999996 110.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 462' ' ' CYS . 2.3 tm? -92.94 -52.17 4.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 109.274 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 460' ' ' PHE . 1.2 t -40.34 -51.75 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 110.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 462' ' ' CYS . 3.5 mp -71.33 -55.16 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 109.16 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -45.04 -26.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 72.420000000000002 109.591 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.438 ' CD ' ' CD1' ' A' ' 464' ' ' LEU . 73.8 mt-30 -79.92 -74.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 53.340000000000003 110.266 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 465' ' ' SER . 3.9 m -40.18 -51.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 62.109999999999999 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.481 ' N ' HG23 ' A' ' 469' ' ' VAL . 1.9 m-80 -40.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 43.399999999999999 109.32 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.552 ' HA ' ' HE3' ' A' ' 474' ' ' MET . 27.6 mm-40 -47.74 -47.48 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 74.430000000000007 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -49.96 -47.1 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 55.229999999999997 109.267 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.532 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 18.2 mtt -58.15 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 73.450000000000003 110.962 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.804 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.7 -16.72 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 71.530000000000001 110.979 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 23.5 m -82.71 -27.98 30.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 42.43 110.013 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.52 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 13.2 t-20 -142.3 91.72 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.804 HD11 ' HA ' ' A' ' 474' ' ' MET . 5.9 mt -114.2 -16.79 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 63.200000000000003 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 479' ' ' ARG . 0.7 OUTLIER -74.69 -3.2 29.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 61.509999999999998 110.367 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.52 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 8.5 mmp_? -107.23 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.129999999999995 110.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.512 ' NE2' ' HB2' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -116.34 -35.86 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 72.25 110.281 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 41.07 51.43 4.23 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.503 1.127 . . . . 73.409999999999997 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.39 99.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.796 . . . . 53.539999999999999 110.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.501 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -75.05 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.569 1.826 . . . . 51.409999999999997 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.21 22.55 14.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 54.420000000000002 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.5 m -95.21 32.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.119999999999997 108.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 454' ' ' LEU . 3.1 t -119.64 113.17 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 71.319999999999993 109.211 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.722 HG22 HD22 ' A' ' 513' ' ' LEU . 2.1 mm -119.88 93.2 47.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 64.129999999999995 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 17.9 Cg_endo -75.02 106.63 2.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.47 1.774 . . . . 73.230000000000004 110.965 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.553 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.1 t80 -83.64 165.09 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 73.109999999999999 110.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -145.32 97.52 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 61.420000000000002 109.276 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.46 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -75.06 159.93 40.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 65.209999999999994 110.985 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 516' ' ' HIS . 1.6 mt -69.86 -10.08 57.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 74.040000000000006 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -80.64 -26.29 37.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 110.282 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.414 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.8 m -124.43 178.8 5.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.444 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.22 165.31 19.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 43.140000000000001 109.992 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.4 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 75.340000000000003 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.18 -24.13 67.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 109.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 1.1 mt-30 -74.9 -9.64 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 110.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 499' ' ' LEU . 3.5 mt -98.47 163.3 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.369 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.1 m -64.77 152.11 43.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 54.299999999999997 109.998 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.8 t -62.63 -13.33 30.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 64.150000000000006 110.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 505' ' ' SER . 40.2 m-20 -84.86 -35.43 22.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.623 1.202 . . . . 44.240000000000002 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.808 ' O ' HD13 ' A' ' 507' ' ' LEU . 28.5 m -42.84 -48.66 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 110.372 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ALA . . . . . 0.434 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -51.63 -39.08 57.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 63.43 109.356 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 502' ' ' ASP . 15.5 t -80.89 -22.87 39.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 75.140000000000001 109.943 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.0 mt -69.2 -40.73 77.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 62.399999999999999 109.278 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.11 25.8 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.057 . . . . 73.209999999999994 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 508' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.3 OUTLIER -56.92 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.566 1.166 . . . . 64.420000000000002 110.059 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 116.58 -45.8 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 52.350000000000001 110.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 507' ' ' LEU . 44.2 mt -40.65 131.99 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 60.350000000000001 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 511' ' ' VAL . 3.4 t -61.46 90.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 75.25 109.341 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 8.7 ttp-105 -66.32 126.29 28.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.010000000000005 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.722 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -92.87 140.56 29.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 45.210000000000001 109.291 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.563 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.6 m-20 -142.85 148.46 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 74.409999999999997 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -84.58 -30.55 24.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 61.210000000000001 110.322 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.512 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -85.94 5.47 32.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.387 1.054 . . . . 65.129999999999995 109.544 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 517' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 514' ' ' ASP . 7.1 t -94.67 118.96 32.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.635 1.21 . . . . 64.400000000000006 109.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -74.92 -1.95 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 73.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.795 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -110.07 -27.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.510000000000005 109.386 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.4 t80 -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.113 . . . . 75.349999999999994 110.98 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.8 81.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 74.519999999999996 109.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.6 mpt_? -73.36 -23.78 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.25 110.326 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.795 ' CD ' HD11 ' A' ' 519' ' ' ILE . 22.2 mmmt -70.94 -45.21 64.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 109.335 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.87 -43.01 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 62.119999999999997 109.252 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -68.95 -9.03 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -87.25 -53.15 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.200000000000003 109.238 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.0 t -77.21 -53.25 7.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.540000000000006 110.406 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.3 m-85 -88.18 54.87 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 110.894 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.0 mttm -63.37 158.81 54.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 54.310000000000002 109.335 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -36.36 2.6 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.549 1.815 . . . . 73.530000000000001 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -78.59 -1.64 35.09 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.552 1.158 . . . . 51.229999999999997 109.62 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 11.2 mmm180 -97.54 -43.29 7.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 75.400000000000006 110.209 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.9 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 71.519999999999996 109.345 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.528 0.204 . . . . 45.240000000000002 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.67 ' CG ' HD11 ' A' ' 533' ' ' LEU . 4.6 t30 -113.61 -11.28 13.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.451 1.094 . . . . 65.540000000000006 109.286 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.857 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.6 p90 -174.85 147.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.988 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 427' ' ' PHE . 2.4 t -112.89 108.88 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 47.3 mt -73.42 91.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 72.409999999999997 109.316 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 400' ' ' LEU . 0.3 OUTLIER -76.01 99.49 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.203 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.478 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 20.0 p80 -132.19 -167.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 75.5 109.575 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -85.05 -166.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 73.040000000000006 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.5 -9.69 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 110.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.52 16.87 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.340000000000003 109.244 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.422 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -127.26 29.24 5.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 55.329999999999998 109.249 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 407' ' ' HIS . 27.9 tt0 -62.68 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 63.549999999999997 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 408' ' ' ILE . 25.6 p-80 -36.02 -45.05 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 73.409999999999997 109.573 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.532 HG13 ' CE1' ' A' ' 407' ' ' HIS . 65.4 mt -53.23 -59.0 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 61.509999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -55.78 -49.73 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 70.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.94 -14.52 35.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 74.340000000000003 109.219 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.432 HH21 HD13 ' A' ' 492' ' ' LEU . 25.1 ttp85 -81.38 -18.83 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 110.333 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 489' ' ' PHE . 6.6 t -95.03 -53.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.342 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.65 -38.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 75.25 110.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 415' ' ' LYS . 83.9 mt-10 -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 40.310000000000002 110.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -39.38 -54.11 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 51.439999999999998 109.259 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.2 mt -39.84 -54.51 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.109999999999999 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 416' ' ' LEU . 10.9 mt-10 -36.81 -45.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.450000000000003 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.82 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 62.140000000000001 109.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.955 HD13 HG11 ' A' ' 524' ' ' VAL . 2.5 mt -65.96 -45.97 79.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.386 1.054 . . . . 73.540000000000006 109.239 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 163.85 -68.63 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 110.97 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.17 137.34 0.96 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 0.718 . . . . 75.310000000000002 109.35 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 63.039999999999999 110.989 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.442 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.9 p30 -59.48 -43.93 93.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 72.439999999999998 109.345 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 80.38 -97.96 1.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 72.329999999999998 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.91 -176.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 63.149999999999999 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 6.9 p -151.19 149.15 29.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 61.210000000000001 110.37 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.46 ' HB2' ' CG1' ' A' ' 398' ' ' VAL . 5.3 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.25 110.953 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.732 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 38.9 mt-30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.303 -0.258 . . . . 63.350000000000001 110.303 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.545 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.2 p-10 -52.47 -34.43 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.641 1.213 . . . . 75.140000000000001 109.336 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.807 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -82.05 -29.57 31.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 74.329999999999998 109.23 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 469' ' ' VAL . 34.8 mt -77.26 -20.32 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 443' ' ' GLN . 19.8 t0 -103.75 -64.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.8 OUTLIER -56.11 -61.55 2.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 44.5 109.606 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 162.2 29.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 43.229999999999997 109.955 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -76.46 -73.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.318 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 7.1 m-85 -122.25 135.8 54.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.807 HD11 ' C ' ' A' ' 445' ' ' ALA . 9.4 mm -77.53 136.01 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 74.5 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.857 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.2 mt -111.48 122.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 73.420000000000002 109.261 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.787 HD13 ' OG ' ' A' ' 465' ' ' SER . 3.3 mt -104.72 110.81 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.366 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 455' ' ' LEU . 7.0 tp -74.48 81.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 70.120000000000005 109.27 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 488' ' ' PRO . 6.1 mt -68.84 88.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 71.420000000000002 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.582 HG22 ' CD ' ' A' ' 491' ' ' PRO . 24.7 p -125.73 158.78 34.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 75.299999999999997 110.419 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.6 p -62.14 -13.5 27.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 109.937 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.636 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.4 m120 -97.5 13.36 30.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.337 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 400' ' ' LEU . 40.5 t80 -150.21 164.98 34.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 51.119999999999997 111.033 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 14.2 t0 -114.64 128.71 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 55.240000000000002 109.28 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 503' ' ' THR . 19.3 p -82.83 -41.73 18.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 108.201 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -39.22 -29.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 63.310000000000002 110.196 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 468' ' ' GLN . 1.8 tm? -87.23 -57.49 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 63.450000000000003 109.25 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.787 ' OG ' HD13 ' A' ' 454' ' ' LEU . 5.0 p -38.52 -35.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 71.219999999999999 110.042 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' A' ' 469' ' ' VAL . 2.6 tt -76.81 -59.69 2.67 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 64.519999999999996 109.341 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.422 ' O ' ' ND1' ' A' ' 467' ' ' HIS . 1.4 t60 -45.65 -28.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.619 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.7 ' HG3' HD13 ' A' ' 464' ' ' LEU . 4.1 mm100 -76.57 -75.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 110.395 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 486' ' ' VAL . 9.6 p -40.14 -30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.129999999999995 109.266 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.8 m120 -74.59 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.310000000000002 109.256 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.7 OUTLIER -44.6 -26.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 110.251 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.732 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -87.52 -40.74 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.566 ' SD ' HG22 ' A' ' 469' ' ' VAL . 12.7 mtt -61.97 -60.72 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 72.019999999999996 110.945 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.739 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -61.39 -12.99 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 74.140000000000001 110.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 14.0 t -85.76 -26.37 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.583 1.177 . . . . 73.400000000000006 109.973 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.439 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 45.0 t30 -142.41 88.69 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 72.439999999999998 109.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.739 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -110.58 -21.59 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 64.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 4.4 t -73.99 -2.0 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 60.329999999999998 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.439 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 15.2 mmt-85 -104.65 -66.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 71.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.427 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -111.69 -33.93 6.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.32 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.67 37.08 0.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 62.32 111.033 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.9 m -111.92 96.97 36.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 74.349999999999994 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.549 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 74.510000000000005 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.66 20.4 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 52.130000000000003 109.223 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.66 21.17 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 64.239999999999995 108.245 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 469' ' ' VAL . 5.7 t -103.54 123.65 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 65.420000000000002 109.362 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.619 ' CG2' HD22 ' A' ' 513' ' ' LEU . 6.1 mm -125.47 94.52 42.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.215 . . . . 55.140000000000001 109.265 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 93.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 71.099999999999994 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 412' ' ' VAL . 8.1 t80 -77.93 151.63 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 71.200000000000003 111.017 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.588 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.6 tm? -138.72 107.15 7.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 72.329999999999998 109.364 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.588 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -75.01 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 74.150000000000006 110.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.7 mp -76.71 -23.0 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.200000000000003 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.48 -35.68 80.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.209999999999994 110.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.487 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 6.3 m -121.59 174.79 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 75.310000000000002 110.033 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.575 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -140.32 164.83 34.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 73.299999999999997 109.994 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.41 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.3 Cg_endo -74.99 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.573 1.828 . . . . 75.409999999999997 111.007 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.15 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 109.277 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -13.52 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 73.430000000000007 110.342 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.741 ' CD1' HG21 ' A' ' 503' ' ' THR . 7.9 mt -89.32 166.79 13.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 51.439999999999998 109.251 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.8 t -64.63 162.42 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 70.549999999999997 110.068 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 45.9 m -69.5 -8.53 47.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 44.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 12.6 m-20 -84.57 -36.93 21.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.230000000000004 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 506' ' ' LEU . 98.3 m -41.62 -43.86 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 110.449 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.67 75.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 63.210000000000001 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.6 m -75.7 -17.85 59.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 75.209999999999994 110.073 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 503' ' ' THR . 65.4 mt -77.76 -37.24 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 109.292 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.7 pp -109.85 15.99 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.229 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.6 p -64.47 104.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.41 1.069 . . . . 65.519999999999996 110.059 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 114.3 -30.34 7.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 70.409999999999997 111.041 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.689 HD13 ' HB ' ' A' ' 486' ' ' VAL . 3.5 mt -63.06 -173.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 73.420000000000002 109.331 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.622 HG13 ' HE2' ' A' ' 523' ' ' LYS . 30.3 t -114.91 86.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 73.530000000000001 109.281 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 3.3 tmm_? -52.04 110.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 110.234 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 489' ' ' PHE . 7.9 tp -89.71 132.27 35.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.549999999999997 109.226 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.2 m-20 -120.79 167.68 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 73.109999999999999 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 489' ' ' PHE . 11.3 tp10 -121.0 6.74 10.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 73.120000000000005 110.264 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.43 10.29 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.56 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 33.3 t -88.55 162.32 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 73.299999999999997 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -100.41 -7.6 24.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 72.319999999999993 110.212 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.775 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 71.329999999999998 109.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.553 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.4 t80 -39.59 -35.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 75.219999999999999 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.446 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.56 -47.51 76.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.386 1.054 . . . . 53.32 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.734 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.6 mpt_? -73.45 -19.57 60.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.382 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -75.57 -43.04 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.073 . . . . 62.450000000000003 109.361 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.955 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -75.72 -38.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 72.230000000000004 109.351 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.87 -3.21 30.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.310000000000002 109.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -99.56 -42.63 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.230000000000004 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.606 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 3.6 t -87.35 -51.41 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.120000000000005 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 453' ' ' ILE . 57.7 m-85 -92.84 64.5 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 75.239999999999995 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.639 ' O ' HD23 ' A' ' 533' ' ' LEU . 27.9 mttt -71.22 157.05 90.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 73.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -42.33 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 111.02 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.6 ' CE1' ' NE ' ' A' ' 532' ' ' ARG . 6.3 p80 -61.9 -13.02 20.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.605 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.6 ' NE ' ' CE1' ' A' ' 531' ' ' HIS . 12.7 mmt180 -102.03 -25.47 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.266 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.67 HD11 ' CG ' ' A' ' 396' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 61.140000000000001 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.562 0.22 . . . . 74.420000000000002 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.679 ' OD1' HD12 ' A' ' 533' ' ' LEU . 39.7 m-80 -113.46 -9.02 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 73.099999999999994 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.94 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.8 p90 -178.65 128.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.983 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.849 HG12 HG23 ' A' ' 452' ' ' ILE . 0.4 OUTLIER -88.59 114.67 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 71.530000000000001 109.386 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 39.9 mt -84.99 90.22 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.977 HD12 ' CZ ' ' A' ' 460' ' ' PHE . 0.1 OUTLIER -63.31 97.6 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.556 1.16 . . . . 64.340000000000003 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.641 ' CB ' HD23 ' A' ' 455' ' ' LEU . 2.4 p80 -130.23 -178.75 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 63.32 109.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.555 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -104.01 156.62 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 71.299999999999997 109.202 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 403' ' ' ARG . . . . . 0.767 ' NE ' ' HB2' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -61.03 -11.81 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.767 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . . . -107.03 18.24 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.2 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.642 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.8 OUTLIER -134.21 25.23 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 71.340000000000003 109.355 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.528 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 21.5 tt0 -62.34 -74.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 74.540000000000006 110.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 406' ' ' GLU . 35.8 p-80 -36.44 -33.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 73.129999999999995 109.595 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 405' ' ' ASP . 30.2 mt -65.29 -60.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 109.337 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -57.64 -52.18 66.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 64.340000000000003 109.307 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 410' ' ' LEU . 1.8 mt -47.79 -24.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 409' ' ' ALA . 19.9 ttp180 -79.17 -36.7 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 71.540000000000006 110.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -70.73 -53.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 71.120000000000005 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.4 mtm180 -37.25 -49.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 74.120000000000005 110.294 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 417' ' ' GLU . 44.3 mt-10 -69.2 -51.73 35.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -25.93 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 71.019999999999996 109.37 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.848 ' HB3' HG13 ' A' ' 421' ' ' VAL . 69.3 mt -76.78 -35.75 57.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 422' ' ' PRO . 5.9 mt-10 -74.02 -8.46 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.030000000000001 110.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.57 -8.41 52.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 51.539999999999999 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.595 HD13 HG11 ' A' ' 524' ' ' VAL . 1.2 mt -117.01 -44.84 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 71.109999999999999 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 35.219999999999999 110.941 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.848 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -43.9 138.94 3.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 63.219999999999999 109.306 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.7 Cg_endo -74.86 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 75.230000000000004 111.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.447 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -60.59 -43.71 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 74.540000000000006 109.343 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.5 -93.46 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.23 178.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 74.400000000000006 109.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.488 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 1.4 p -152.59 140.37 19.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 73.349999999999994 110.345 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.636 ' CB ' HD22 ' A' ' 400' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.617 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 29.5 mt-30 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.405 -0.22 . . . . 62.329999999999998 110.405 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -69.71 -41.07 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 54.539999999999999 109.331 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -71.47 -26.49 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 44.100000000000001 109.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.422 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.2 mt -57.9 -26.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 109.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 -57.17 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 74.030000000000001 109.24 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -59.55 -57.24 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 64.430000000000007 109.644 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.457 ' HB3' ' HB1' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -73.43 156.64 38.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.400000000000006 109.944 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -71.03 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 65.530000000000001 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.567 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 6.1 m-85 -118.51 128.1 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 72.209999999999994 111.062 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.849 HG23 HG12 ' A' ' 398' ' ' VAL . 42.6 mm -69.26 127.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.120000000000005 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.94 HD12 ' CD2' ' A' ' 397' ' ' PHE . 8.3 mt -104.07 112.8 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 65.120000000000005 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 486' ' ' VAL . 1.8 mm? -92.46 97.86 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 75.040000000000006 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.641 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.7 tp -65.72 80.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 52.119999999999997 109.286 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 488' ' ' PRO . 13.6 mt -68.47 98.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 65.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.1 p -132.83 159.64 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 71.540000000000006 110.393 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 2.7 p -59.53 -15.31 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 52.119999999999997 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -100.9 19.87 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 71.239999999999995 109.249 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.977 ' CZ ' HD12 ' A' ' 400' ' ' LEU . 33.0 t80 -154.23 165.78 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 74.150000000000006 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.43 142.19 40.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 75.340000000000003 109.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.8 m -93.96 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 73.400000000000006 108.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 462' ' ' CYS . 40.1 mtp180 -38.16 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 73.349999999999994 110.291 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 465' ' ' SER . 1.4 tm? -82.96 -62.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 71.150000000000006 109.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.939 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.5 p -38.53 -42.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 109.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 469' ' ' VAL . 7.0 tt -69.92 -57.78 4.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 73.319999999999993 109.31 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 471' ' ' GLN . 2.1 t60 -42.9 -59.03 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 70.319999999999993 109.636 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.512 ' HG3' HD22 ' A' ' 464' ' ' LEU . 8.5 mt-30 -46.13 -33.9 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 73.239999999999995 110.362 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 465' ' ' SER . 39.1 t -78.06 -67.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 63.530000000000001 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 472' ' ' ALA . 2.7 m120 -43.13 -67.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 75.040000000000006 109.316 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 467' ' ' HIS . 1.1 pp0? -38.25 -30.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.617 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -79.44 -53.23 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 61.32 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.665 ' HE3' ' CG1' ' A' ' 469' ' ' VAL . 9.2 mtt -47.67 -58.96 3.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 74.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -58.28 -15.34 9.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 110.989 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.2 t -90.9 -21.05 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 71.040000000000006 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 47.4 t30 -141.72 86.92 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.2 mt -110.43 -20.85 12.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.32 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.5 t -76.19 0.19 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 70.329999999999998 110.418 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 12.0 mmt85 -103.44 -73.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 70.219999999999999 110.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.492 ' NE2' ' ND2' ' A' ' 476' ' ' ASN . 0.7 OUTLIER -117.28 -36.45 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 44.99 41.06 7.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 51.229999999999997 110.967 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.3 m -111.34 98.13 38.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 42.450000000000003 109.983 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.532 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.5 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 72.450000000000003 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -94.3 16.77 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 50.32 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.2 m -92.48 17.76 9.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 74.120000000000005 108.274 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 1.023 ' O ' HD13 ' A' ' 487' ' ' ILE . 85.7 t -104.63 130.21 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 1.023 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.1 mm -133.42 91.62 26.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 64.319999999999993 109.315 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.49 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.8 Cg_endo -74.98 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.477 1.778 . . . . 72.310000000000002 111.057 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 412' ' ' VAL . 5.6 t80 -90.75 168.83 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 73.519999999999996 110.959 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -152.89 98.73 2.79 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.422 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.06 166.41 29.19 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.543 1.812 . . . . 51.229999999999997 111.045 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 492' ' ' LEU . 4.0 mp -69.72 -34.95 74.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 51.140000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 408' ' ' ILE . 30.4 mm-40 -54.38 -35.35 62.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 70.329999999999998 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 8.7 m -119.06 179.29 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 53.009999999999998 109.956 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.455 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.88 165.85 18.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.405 1.066 . . . . 71.329999999999998 110.04 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.681 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.95 -35.27 3.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 61.210000000000001 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.7 71.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 55.399999999999999 109.343 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.34 -14.72 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 70.140000000000001 110.32 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 462' ' ' CYS . 1.3 mt -101.39 170.62 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.129999999999995 109.372 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.0 m -64.38 154.39 35.67 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.41 1.069 . . . . 64.129999999999995 109.973 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 17.5 m -67.74 -9.25 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.5 m-20 -81.41 -35.39 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.540000000000006 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.812 ' O ' HD13 ' A' ' 507' ' ' LEU . 26.8 m -43.0 -50.03 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 71.25 110.414 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -51.15 -38.01 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 54.420000000000002 109.277 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.0 t -81.61 -23.7 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.25 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 503' ' ' THR . 90.0 mt -67.49 -39.35 85.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.265 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.53 25.25 9.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.349999999999994 109.323 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.96 -31.68 71.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 55.119999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -90.6 -21.53 36.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 32.100000000000001 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' ' 507' ' ' LEU . 9.2 mt -80.84 -171.75 3.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 64.239999999999995 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 513' ' ' LEU . 55.3 t -116.73 103.95 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 109.22 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -71.56 100.51 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 73.409999999999997 110.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.799 HD22 ' CG2' ' A' ' 487' ' ' ILE . 2.3 mp -71.91 137.14 47.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 62.210000000000001 109.36 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.4 m-20 -122.73 167.7 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 75.140000000000001 109.36 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.9 tt0 -123.43 5.91 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 54.310000000000002 110.324 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.434 ' NE2' ' OD2' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -122.96 -0.22 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 72.150000000000006 109.528 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.74 163.24 14.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 70.209999999999994 110.039 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.92 -0.55 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 63.009999999999998 110.23 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.67 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 64.5 109.364 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.9 t80 -40.07 -35.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.400000000000006 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -55.17 -47.39 75.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.548 1.155 . . . . 62.439999999999998 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.722 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.2 mpt_? -73.74 -21.18 60.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 75.310000000000002 110.339 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.2 mmmt -74.18 -40.87 62.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 50.32 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 513' ' ' LEU . 1.2 p -79.24 -45.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 74.430000000000007 109.287 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.28 -10.95 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.129999999999995 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.1 m-20 -86.34 -53.64 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.526 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.2 t -77.37 -55.2 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 73.420000000000002 110.507 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.88 56.21 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 75.409999999999997 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.985 ' O ' HD23 ' A' ' 533' ' ' LEU . 76.9 mttt -64.75 160.82 50.81 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.28 17.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.739 . . . . 35.530000000000001 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.42 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 7.2 p-80 -90.43 -11.79 39.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.499 1.125 . . . . 64.319999999999993 109.561 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.42 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 26.6 mmm180 -101.91 -7.28 22.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.430000000000007 110.275 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.5 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 72.219999999999999 109.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 11.8 m-30 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.545 0.212 . . . . 73.430000000000007 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.883 ' OD1' HD13 ' A' ' 533' ' ' LEU . 20.2 m-80 -115.9 -1.93 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.364 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 1.09 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.5 p90 -178.03 160.99 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 74.0 111.033 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 445' ' ' ALA . 2.3 t -122.81 105.36 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 60.409999999999997 109.365 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 453' ' ' ILE . 46.0 mt -71.84 91.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.8 HD22 ' HB3' ' A' ' 427' ' ' PHE . 0.0 OUTLIER -69.86 103.38 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.675 ' CB ' HD23 ' A' ' 455' ' ' LEU . 25.1 p80 -137.87 -168.97 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.555 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.833 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.75 141.79 29.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 51.43 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -54.77 -15.8 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 54.340000000000003 110.249 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.409 ' C ' ' OD2' ' A' ' 405' ' ' ASP . . . -94.55 17.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 53.340000000000003 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.833 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -139.31 36.34 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 64.150000000000006 109.32 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.551 ' HG3' HD13 ' A' ' 410' ' ' LEU . 18.8 tt0 -64.94 -71.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 73.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.497 ' CE1' HG13 ' A' ' 408' ' ' ILE . 24.9 p-80 -36.81 -39.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.349999999999994 109.623 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.497 HG13 ' CE1' ' A' ' 407' ' ' HIS . 67.3 mt -58.23 -60.74 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 53.200000000000003 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -54.25 -49.34 69.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 73.140000000000001 109.309 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 406' ' ' GLU . 10.1 mp -60.76 -15.11 26.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.279 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 408' ' ' ILE . 11.0 ttp180 -80.62 -21.71 41.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 73.519999999999996 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 413' ' ' ARG . 3.6 t -96.72 -51.65 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 74.109999999999999 109.309 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 412' ' ' VAL . 9.7 mtm180 -31.01 -58.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 74.049999999999997 110.297 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 15.6 mt-10 -66.32 -52.86 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 63.32 110.273 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.24 -34.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.049999999999997 109.372 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 1.007 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -69.61 -50.84 40.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 71.129999999999995 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 62.8 mt-10 -40.02 -28.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.357 1.036 . . . . 60.149999999999999 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 416' ' ' LEU . . . -74.87 -50.89 15.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.179 . . . . 65.209999999999994 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -61.12 -46.27 91.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.11 -65.91 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.968 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 1.007 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.6 p -55.11 144.14 50.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 72.530000000000001 109.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.779 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.02 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 71.239999999999995 111.042 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.483 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.4 OUTLIER -56.89 -42.37 79.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 63.310000000000002 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.711 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.47 -91.02 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.404 1.065 . . . . 61.520000000000003 111.01 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.42 179.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 0.717 . . . . 32.5 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.7 p -152.42 160.56 43.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 110.437 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.8 ' HB3' HD22 ' A' ' 400' ' ' LEU . 5.8 t80 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 64.530000000000001 110.99 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 446' ' ' ILE . 2.7 mt-30 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.29 -0.263 . . . . 75.420000000000002 110.29 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.12 -8.84 49.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 72.030000000000001 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.605 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -81.48 -9.55 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 43.299999999999997 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 tt -92.54 -16.29 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 74.120000000000005 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.06 -33.76 8.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 51.439999999999998 109.208 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -78.73 1.0 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.606 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 26.4 m -148.74 160.39 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 41.420000000000002 109.958 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -65.29 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.605 1.191 . . . . 54.43 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 485' ' ' CYS . 16.5 m-30 -119.07 147.03 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 73.140000000000001 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CG1' HG13 ' A' ' 446' ' ' ILE . 2.1 mm -85.63 140.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.200000000000003 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 1.09 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.9 mt -110.74 128.31 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 65.040000000000006 109.264 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 453' ' ' ILE . 6.6 mt -101.22 99.28 9.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 73.019999999999996 109.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 489' ' ' PHE . 14.9 tp -76.27 89.97 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.353 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.4 mt -71.24 99.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 62.039999999999999 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 46.8 p -131.94 149.26 52.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.413 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 24.2 p -58.6 -16.22 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 53.210000000000001 109.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -90.47 -24.5 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 74.400000000000006 109.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.763 ' CE1' HD12 ' A' ' 400' ' ' LEU . 58.1 t80 -109.99 170.09 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 60.539999999999999 110.935 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.561 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.9 m-20 -116.58 142.07 47.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.400000000000006 109.326 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.27 -56.61 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 52.049999999999997 108.263 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 0.1 OUTLIER -39.51 -32.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.510000000000005 110.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.0 OUTLIER -70.5 -65.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.239999999999995 109.365 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.494 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -50.01 -59.75 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 54.140000000000001 110.002 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.5 OUTLIER -51.68 -23.11 4.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 75.209999999999994 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 27.5 t60 -90.46 -26.73 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.662 1.226 . . . . 62.420000000000002 109.578 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 464' ' ' LEU . 5.9 mt-30 -80.63 -61.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 110.392 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.615 HG22 ' HE3' ' A' ' 473' ' ' MET . 13.7 p -49.96 -54.07 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.266 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.626 ' OD1' HD22 ' A' ' 466' ' ' LEU . 2.6 m120 -47.03 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 65.040000000000006 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.639 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 26.6 mm-40 -39.24 -46.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 53.350000000000001 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 52.25 109.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.615 ' HE3' HG22 ' A' ' 469' ' ' VAL . 6.2 mtt -59.91 -71.69 0.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.544 1.153 . . . . 73.140000000000001 110.979 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.639 ' HE2' ' HA ' ' A' ' 471' ' ' GLN . 1.2 ptm -50.25 -21.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 64.5 110.938 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 5.0 t -74.14 -48.13 31.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 476' ' ' ASN . 53.0 p-10 -122.11 70.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 70.230000000000004 109.362 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 474' ' ' MET . 14.2 mt -72.54 -33.43 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 74.219999999999999 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 12.7 t -69.54 -6.65 32.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 72.230000000000004 110.366 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -77.04 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.768 ' NE2' ' H ' ' A' ' 482' ' ' SER . 0.0 OUTLIER -115.54 -31.84 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 74.219999999999999 110.257 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 37.38 45.06 1.26 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.49 1.119 . . . . 62.520000000000003 111.009 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' SER . . . . . 0.768 ' H ' ' NE2' ' A' ' 480' ' ' GLN . 74.0 m -115.73 87.67 18.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 72.329999999999998 110.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.55 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.89 0.44 8.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.478 1.778 . . . . 74.209999999999994 111.076 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.85 32.33 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 72.010000000000005 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 451' ' ' PHE . 13.3 p -113.27 8.85 18.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 62.219999999999999 108.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.405 HG22 ' HE3' ' A' ' 473' ' ' MET . 2.1 t -87.33 109.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.639 HG22 HD22 ' A' ' 513' ' ' LEU . 2.5 mm -114.67 97.37 46.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.354 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 18.4 Cg_endo -74.93 103.95 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.551 1.816 . . . . 74.439999999999998 110.979 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.781 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.2 t80 -84.61 166.51 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 111.003 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.5 tm? -149.69 102.06 3.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 74.25 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.0 Cg_endo -75.05 158.26 42.09 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.42 1.747 . . . . 74.239999999999995 110.938 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.808 HD11 ' CD ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -67.2 -21.43 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 75.5 109.254 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.89 -34.45 76.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 110.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 22.3 m -117.18 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 50.409999999999997 110.004 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.05 165.55 18.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 109.954 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -33.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.575 1.829 . . . . 52.340000000000003 110.987 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.95 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.324 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 2.7 mt-30 -66.45 -9.69 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 110.361 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' A' ' 503' ' ' THR . 6.9 mt -104.04 169.94 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 63.439999999999998 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 501' ' ' SER . 2.2 t -65.49 175.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.230000000000004 109.985 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 500' ' ' SER . 68.4 m -81.66 -13.38 57.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.040000000000006 109.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 505' ' ' SER . 1.4 p30 -79.19 -38.96 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 73.349999999999994 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.859 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.2 m -42.44 -28.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 74.209999999999994 110.497 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.125 . . . . 71.549999999999997 109.259 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.9 m -72.19 -22.74 61.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.540000000000006 110.012 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 503' ' ' THR . 47.1 mt -69.88 -32.43 70.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.430000000000007 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.56 14.99 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 62.5 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.3 t -74.24 106.48 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.409 1.068 . . . . 74.299999999999997 109.936 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.57 11.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.41 -172.33 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 0.716 . . . . 74.25 109.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.58 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.2 t -113.32 99.59 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.248 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 11.4 ttp-105 -72.88 128.7 36.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.341 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.639 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -97.1 138.61 34.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 65.439999999999998 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.434 ' OD2' ' NE2' ' A' ' 516' ' ' HIS . 0.9 OUTLIER -142.82 143.37 32.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 70.439999999999998 109.34 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.808 ' CD ' HD11 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -78.88 -35.22 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 53.520000000000003 110.292 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.7 ' ND1' HD23 ' A' ' 492' ' ' LEU . 0.3 OUTLIER -88.33 14.45 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 75.140000000000001 109.674 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -97.86 118.27 34.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 74.239999999999995 110.012 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -74.68 -1.87 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 74.200000000000003 110.401 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.98 -28.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 63.229999999999997 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.502 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 0.2 OUTLIER -39.72 -35.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 73.340000000000003 111.032 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.44 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.43 -47.27 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.425 1.078 . . . . 51.329999999999998 109.36 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.8 mpt_? -73.15 -20.1 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 73.040000000000006 110.197 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 21.4 mmmt -74.66 -47.03 34.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 419' ' ' LEU . 1.8 p -72.95 -32.56 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.248 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.54 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.342 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 14.2 m-20 -98.84 -28.74 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.349999999999994 109.311 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 2.7 t -101.53 -51.07 3.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 110.382 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.742 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.2 m-85 -96.65 62.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 73.099999999999994 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 32.8 mttt -70.21 155.64 93.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 74.120000000000005 110.962 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.455 ' ND1' ' CD ' ' A' ' 532' ' ' ARG . 9.6 p80 -72.43 -5.5 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 109.563 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.455 ' CD ' ' ND1' ' A' ' 531' ' ' HIS . 1.6 mpt_? -101.11 -49.71 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 110.302 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.883 HD13 ' OD1' ' A' ' 396' ' ' ASN . 1.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 64.200000000000003 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 6.9 m-30 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.49 0.186 . . . . 72.209999999999994 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 17.8 m120 -119.97 -3.2 10.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 63.229999999999997 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.833 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.1 p90 -177.95 149.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 75.310000000000002 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.911 ' CG1' HG23 ' A' ' 452' ' ' ILE . 1.6 p -113.78 109.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.150000000000006 109.306 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.552 HG13 ' CD1' ' A' ' 397' ' ' PHE . 61.3 mt -83.71 96.24 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 52.409999999999997 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 8.2 mt -75.39 133.44 41.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 73.040000000000006 109.282 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -162.71 -174.19 3.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.451 1.095 . . . . 74.209999999999994 109.571 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.458 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -84.63 -158.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 73.340000000000003 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -99.18 -19.04 17.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 110.318 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -103.56 17.1 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.281 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.52 26.34 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 64.340000000000003 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.641 ' HG3' HD13 ' A' ' 410' ' ' LEU . 14.3 tt0 -65.36 -74.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.540000000000006 110.223 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 408' ' ' ILE . 10.1 p-80 -39.26 -43.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 74.230000000000004 109.565 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.502 HG13 ' CE1' ' A' ' 407' ' ' HIS . 68.7 mt -52.43 -49.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 55.219999999999999 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.67 -49.28 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 45.299999999999997 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.641 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.9 mp -62.38 -13.87 33.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.420000000000002 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 407' ' ' HIS . 13.6 ttp85 -85.1 -16.39 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.706 HG21 ' CE2' ' A' ' 489' ' ' PHE . 19.0 t -96.39 -51.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 64.340000000000003 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.5 mtm180 -36.71 -40.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 75.219999999999999 110.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.24 -54.04 10.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -23.68 6.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 54.100000000000001 109.296 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 16.5 mt -73.98 -35.4 64.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.3 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.58 -8.15 56.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 110.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -94.5 -5.32 46.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 53.229999999999997 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.673 HD13 HG11 ' A' ' 524' ' ' VAL . 4.1 mt -117.38 -44.89 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.244 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 173.03 -68.68 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 75.319999999999993 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.0 OUTLIER -48.78 144.45 7.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 71.230000000000004 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.789 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.1 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.528 1.804 . . . . 73.430000000000007 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.8 OUTLIER -70.06 -18.35 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.520000000000003 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 59.33 -97.33 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 62.009999999999998 110.963 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 164.02 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 44.43 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -152.07 153.57 34.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 72.239999999999995 110.375 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.702 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 1.9 m-30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 44.240000000000002 111.07 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.782 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 29.5 mt-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.546 0.212 . . . . 61.049999999999997 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.649 ' OD1' ' CD2' ' A' ' 448' ' ' HIS . 0.8 OUTLIER -68.14 -14.31 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.409999999999997 109.339 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -103.84 -34.56 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.425 HG13 HD11 ' A' ' 452' ' ' ILE . 66.9 mt -69.33 -19.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 43.520000000000003 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -104.03 -58.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 75.540000000000006 109.354 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.649 ' CD2' ' OD1' ' A' ' 444' ' ' ASP . 0.6 OUTLIER -68.23 -62.58 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 72.040000000000006 109.603 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -70.66 157.58 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 63.399999999999999 110.056 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -65.57 -78.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 62.109999999999999 109.371 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.04 146.96 48.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 111.015 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.911 HG23 ' CG1' ' A' ' 398' ' ' VAL . 8.8 mm -79.3 138.69 19.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.299999999999997 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 397' ' ' PHE . 95.4 mt -113.42 113.56 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 465' ' ' SER . 11.8 mt -89.56 106.66 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 72.349999999999994 109.323 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 399' ' ' ILE . 6.9 tp -75.2 79.48 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 53.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 488' ' ' PRO . 6.2 mt -62.12 92.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 74.310000000000002 109.214 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.507 HG22 ' CG ' ' A' ' 491' ' ' PRO . 82.4 p -131.86 149.8 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 64.239999999999995 110.418 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.2 t -59.53 -15.68 19.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.065 . . . . 73.400000000000006 109.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.0 m-20 -90.0 -21.7 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.219999999999999 109.212 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 401' ' ' HIS . 32.6 t80 -112.68 172.34 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 75.349999999999994 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 36.6 t0 -112.63 135.6 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 65.230000000000004 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.464 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.5 m -94.03 -50.13 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 108.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -38.56 -41.3 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 75.140000000000001 110.302 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' A' ' 468' ' ' GLN . 1.7 tm? -77.81 -44.54 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 72.349999999999994 109.231 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.551 ' HB2' HD22 ' A' ' 454' ' ' LEU . 78.4 p -49.36 -27.3 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.010000000000005 109.974 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 506' ' ' LEU . 6.2 tt -88.92 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.37 1.044 . . . . 64.420000000000002 109.235 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -45.69 -28.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.430000000000007 109.547 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.466 ' HG3' HD22 ' A' ' 464' ' ' LEU . 68.9 mt-30 -75.62 -76.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.306 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 486' ' ' VAL . 8.8 p -39.95 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 468' ' ' GLN . 3.9 m120 -74.88 -72.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.400000000000006 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER -41.94 -27.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.430000000000007 110.286 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.782 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -82.79 -52.54 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 65.150000000000006 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.687 ' HE2' HG22 ' A' ' 469' ' ' VAL . 5.9 mtt -50.36 -54.0 24.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.430000000000007 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 471' ' ' GLN . 0.0 OUTLIER -66.89 -8.38 28.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 1.3 t -76.1 -50.3 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 110.014 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -138.1 92.37 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 75.540000000000006 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 473' ' ' MET . 13.9 mt -90.78 -38.06 13.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 75.230000000000004 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.1 t -64.73 -11.14 32.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 73.510000000000005 110.407 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.406 ' HG2' ' NE2' ' A' ' 480' ' ' GLN . 0.0 OUTLIER -77.5 -74.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 74.25 110.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 446' ' ' ILE . 0.1 OUTLIER -110.26 -27.37 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 110.323 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 40.62 67.51 0.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.555 1.16 . . . . 74.040000000000006 111.077 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.0 t -127.77 91.59 44.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 70.340000000000003 109.954 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.44 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -75.08 0.61 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.513 1.796 . . . . 65.140000000000001 111.0 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 43.36 2.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 29.2 p -111.53 30.3 7.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 51.539999999999999 108.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 469' ' ' VAL . 2.2 t -123.13 123.14 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 60.43 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.3 mm -132.59 96.84 18.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.388 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.517 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -75.0 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.381 1.727 . . . . 72.230000000000004 110.967 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.706 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.01 161.72 27.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.329999999999998 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LEU . 0.7 OUTLIER -141.52 97.96 6.61 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.402 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.507 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -74.96 150.58 38.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 75.209999999999994 111.014 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.634 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.2 mt -64.08 -17.13 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -73.19 -24.12 60.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 110.236 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.41 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.3 m -124.39 -178.5 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 63.32 109.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.18 159.14 43.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 70.319999999999993 110.009 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.422 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.0 -27.4 10.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.464 1.77 . . . . 72.109999999999999 110.978 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.25 72.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.57 -11.22 59.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 110.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.47 HD12 HG21 ' A' ' 503' ' ' THR . 2.3 mt -98.23 165.11 12.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 51.409999999999997 109.289 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.86 159.41 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 65.209999999999994 109.939 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.4 m -69.45 -11.53 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 505' ' ' SER . 24.9 m-20 -82.47 -34.05 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 72.430000000000007 109.332 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.884 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.8 m -45.32 -25.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 72.349999999999994 110.4 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -71.56 -44.42 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 63.32 109.316 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 502' ' ' ASP . 5.5 t -79.59 -13.36 59.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 62.140000000000001 110.041 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 503' ' ' THR . 34.0 mt -79.84 -32.15 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 71.230000000000004 109.311 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.8 pp -109.88 14.01 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.409999999999997 109.38 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 7.7 p -56.64 101.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 72.040000000000006 110.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 110.45 -25.56 15.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.446 1.091 . . . . 75.140000000000001 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 510' ' ' LEU . 14.5 mt -58.05 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 64.099999999999994 109.239 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 513' ' ' LEU . 50.5 t -116.14 92.14 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 61.240000000000002 109.39 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.57 128.93 37.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 110.284 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.671 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -110.39 145.53 37.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.271 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.481 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.5 m-20 -145.27 133.19 21.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 61.299999999999997 109.37 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.56 ' HB2' HD21 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -76.07 -1.15 24.55 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.536 1.148 . . . . 54.25 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.634 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.4 p-80 -121.3 44.12 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 64.25 109.535 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 520' ' ' PHE . 2.7 t -138.72 126.88 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 70.329999999999998 109.985 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -74.23 -2.78 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 110.411 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.35 -28.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 72.239999999999995 109.353 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.417 ' CB ' ' HB3' ' A' ' 517' ' ' SER . 1.6 t80 -40.51 -34.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 74.030000000000001 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.53 85.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 43.240000000000002 109.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.13 -22.8 60.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 110.302 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.742 ' CD ' HD11 ' A' ' 519' ' ' ILE . 24.0 mmmt -70.8 -43.16 69.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 42.439999999999998 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.673 HG11 HD13 ' A' ' 419' ' ' LEU . 2.7 p -79.4 -41.26 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 52.299999999999997 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -69.7 -9.82 55.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 72.319999999999993 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -85.88 -50.46 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 73.519999999999996 109.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -80.38 -53.99 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 55.539999999999999 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.527 ' CZ ' HD11 ' A' ' 453' ' ' ILE . 60.2 m-85 -86.86 58.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 111.048 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 533' ' ' LEU . 12.4 mmtt -59.86 157.57 28.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -36.44 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.299999999999997 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' CB ' ' A' ' 529' ' ' LYS . 55.8 p-80 -61.83 -16.73 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 72.310000000000002 109.614 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.422 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 31.6 mmm-85 -99.36 -55.67 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 65.299999999999997 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.8 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 109.257 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 15.8 m-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.506 0.194 . . . . 74.430000000000007 110.964 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.791 ' OD1' HD13 ' A' ' 533' ' ' LEU . 9.6 m-80 -115.41 -9.38 12.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.109999999999999 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.808 ' CD2' HD12 ' A' ' 453' ' ' ILE . 10.8 p90 -169.38 145.69 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 445' ' ' ALA . 2.9 t -112.22 108.75 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 63.329999999999998 109.357 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.496 ' CG2' HD22 ' A' ' 455' ' ' LEU . 35.0 mt -72.87 92.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.226 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.582 HD21 ' HD2' ' A' ' 427' ' ' PHE . 2.6 mt -72.07 100.66 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 72.349999999999994 109.248 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.786 ' CB ' HD23 ' A' ' 455' ' ' LEU . 18.1 p-80 -140.32 173.38 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.56 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.719 ' O ' ' CD2' ' A' ' 401' ' ' HIS . . . -65.58 -171.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 52.299999999999997 109.358 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.03 -4.96 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.75 17.17 22.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 72.239999999999995 109.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.627 ' HB3' HD12 ' A' ' 408' ' ' ILE . 0.0 OUTLIER -133.35 36.73 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.439999999999998 109.301 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 410' ' ' LEU . 20.3 tt0 -62.12 -72.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 72.219999999999999 110.261 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 23.7 p-80 -42.32 -36.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 71.420000000000002 109.555 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 405' ' ' ASP . 57.8 mt -58.07 -47.82 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 65.25 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.85 -56.1 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 109.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.0 mp -53.64 -20.42 5.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 109.345 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 18.7 ttp180 -77.09 -32.08 56.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 74.099999999999994 110.309 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.7 t -80.24 -49.68 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.299999999999997 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.481 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.9 mtm180 -36.55 -44.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.329999999999998 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.8 mm-40 -72.33 -57.27 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 61.030000000000001 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.866 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.9 mt -70.42 -44.31 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 75.030000000000001 109.23 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.2 mt-10 -64.3 -11.13 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 110.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.62 -6.27 59.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 72.310000000000002 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.499 ' CD1' HG11 ' A' ' 524' ' ' VAL . 3.5 mt -120.8 -45.12 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 60.200000000000003 109.188 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 178.56 -76.21 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 74.140000000000001 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.866 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -41.13 137.61 1.53 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 74.030000000000001 109.257 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -74.94 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 65.200000000000003 111.078 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.535 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.3 p-10 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 52.130000000000003 109.213 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.73 -96.73 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.15 . . . . 51.25 111.042 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.68 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 0.799 . . . . 64.010000000000005 109.216 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.8 p -152.4 152.56 32.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.441 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.582 ' HD2' HD21 ' A' ' 400' ' ' LEU . 7.7 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.957 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 10.5 tp60 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.559 0.219 . . . . 72.019999999999996 110.419 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.539 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.4 t0 -79.63 -3.3 46.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 75.340000000000003 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.831 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -101.69 -31.3 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 61.25 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 1.018 ' CD1' HG23 ' A' ' 469' ' ' VAL . 1.2 tt -78.88 -15.76 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 73.430000000000007 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.55 -43.29 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 70.329999999999998 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.7 OUTLIER -78.33 -64.61 1.13 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.616 1.197 . . . . 64.010000000000005 109.519 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.4 OUTLIER -70.96 154.0 42.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.420000000000002 109.917 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -61.93 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.107 . . . . 44.520000000000003 109.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 21.7 m-85 -117.75 138.32 52.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 73.400000000000006 111.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.831 HD11 ' C ' ' A' ' 445' ' ' ALA . 6.1 mm -82.22 137.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.18 . . . . 65.010000000000005 109.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.808 HD12 ' CD2' ' A' ' 397' ' ' PHE . 60.4 mt -110.77 122.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 62.420000000000002 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 465' ' ' SER . 12.3 mt -94.81 107.54 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 55.210000000000001 109.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.8 tp -73.09 96.73 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 72.109999999999999 109.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 488' ' ' PRO . 5.5 mt -74.99 97.68 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 71.519999999999996 109.273 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.558 HG22 ' CD ' ' A' ' 491' ' ' PRO . 6.6 p -143.57 147.18 34.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 73.319999999999993 110.427 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -15.5 18.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.987 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 16.2 m120 -85.64 -23.54 27.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 75.120000000000005 109.226 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 461' ' ' ASP . 50.0 t80 -108.11 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 110.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 19.8 m-20 -133.78 105.08 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 74.010000000000005 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 464' ' ' LEU . 8.2 p -63.64 -38.62 91.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 72.450000000000003 108.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -38.63 -31.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 64.040000000000006 110.389 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' A' ' 468' ' ' GLN . 0.8 OUTLIER -83.36 -66.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 70.400000000000006 109.352 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.777 ' HB2' HD22 ' A' ' 454' ' ' LEU . 59.8 p -39.35 -62.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.058 . . . . 73.450000000000003 109.991 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.72 -40.24 27.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.400000000000006 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.2 OUTLIER -68.55 -29.59 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 75.120000000000005 109.615 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 464' ' ' LEU . 79.8 mt-30 -75.03 -70.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.618 1.199 . . . . 71.209999999999994 110.28 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 446' ' ' ILE . 2.8 p -44.91 -51.45 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 61.340000000000003 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -40.23 -50.6 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 64.019999999999996 109.32 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 474' ' ' MET . 14.0 mm-40 -70.89 -41.2 71.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 62.210000000000001 110.335 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 446' ' ' ILE . . . -60.38 -19.92 57.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 52.299999999999997 109.182 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.497 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 35.5 mtt -84.03 -54.12 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.049999999999997 111.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.42 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.7 OUTLIER -71.6 -3.87 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 70.010000000000005 111.033 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.436 ' OG ' ' NE2' ' A' ' 443' ' ' GLN . 76.4 p -80.86 -53.55 6.37 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.55 1.156 . . . . 73.219999999999999 110.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.444 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 11.2 p-10 -134.93 92.93 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 473' ' ' MET . 17.4 mt -89.94 -39.28 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.8 t -65.73 -10.08 33.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.474 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -78.52 -73.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 110.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.1 OUTLIER -113.21 -26.12 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.355 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 37.56 63.0 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 64.439999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.86 95.16 19.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 110.049 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.454 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.464 1.771 . . . . 75.510000000000005 110.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.21 43.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 63.329999999999998 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' CYS . . . . . 0.416 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 26.0 p -111.89 23.58 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 61.310000000000002 108.275 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.852 HG22 HG21 ' A' ' 469' ' ' VAL . 3.7 t -119.02 119.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 70.25 109.25 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.795 ' CG2' HD22 ' A' ' 513' ' ' LEU . 0.4 OUTLIER -120.33 101.34 46.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.430000000000007 109.253 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.0 97.2 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 70.430000000000007 111.077 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 412' ' ' VAL . 4.9 t80 -77.69 169.74 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 111.046 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 496' ' ' PRO . 1.8 tt -157.07 103.42 1.9 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 51.32 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.558 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -75.02 174.13 13.33 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.568 1.826 . . . . 74.430000000000007 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.6 mp -79.43 -25.68 41.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.642 1.214 . . . . 44.229999999999997 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.34 -33.45 75.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 55.25 110.397 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -111.65 -179.58 3.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.485 1.116 . . . . 44.100000000000001 109.977 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.24 162.23 33.37 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 70.030000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.505 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 -25.28 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 64.030000000000001 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -72.13 -24.55 61.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 60.43 109.205 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 499' ' ' LEU . 1.5 mt-30 -73.6 -8.24 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 71.140000000000001 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 499' ' ' LEU . 2.2 mt -100.34 163.73 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 70.019999999999996 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.5 t -74.4 161.18 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.581 1.176 . . . . 72.010000000000005 109.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 75.2 m -68.2 -8.76 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 62.200000000000003 109.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 505' ' ' SER . 9.1 m-20 -84.07 -34.26 24.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 64.409999999999997 109.306 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 506' ' ' LEU . 15.7 m -44.35 -47.99 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.162 . . . . 64.409999999999997 110.402 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.6 -35.59 65.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 22.449999999999999 109.21 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.4 m -84.1 -22.03 31.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.340000000000003 110.05 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 503' ' ' THR . 97.4 mt -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 63.43 109.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.68 24.2 9.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.319999999999993 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.64 99.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 131.38 -24.12 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 44.240000000000002 111.095 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 486' ' ' VAL . 39.5 mt -74.98 179.65 4.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.579 0.811 . . . . 65.049999999999997 109.309 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.78 102.09 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.7 125.31 24.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.607 1.192 . . . . 73.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.795 HD22 ' CG2' ' A' ' 487' ' ' ILE . 0.6 OUTLIER -96.1 129.08 43.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 70.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.68 133.58 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 72.340000000000003 109.359 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 14.8 tp10 -82.11 -23.33 35.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 62.32 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.2 OUTLIER -91.44 5.68 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 73.430000000000007 109.588 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.5 t -89.66 149.4 22.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 74.099999999999994 110.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -8.24 33.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 70.120000000000005 110.284 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.777 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.62 -25.53 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 52.119999999999997 109.276 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.4 OUTLIER -40.13 -35.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 64.510000000000005 110.989 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.02 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.129999999999995 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.735 ' HB2' HD12 ' A' ' 519' ' ' ILE . 9.6 mpt_? -74.7 -19.52 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 110.205 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -76.04 -40.06 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 75.299999999999997 109.229 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 513' ' ' LEU . 1.4 p -80.16 -45.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 73.25 109.223 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.45 -11.43 42.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 73.519999999999996 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.8 m-20 -88.97 -57.05 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.226 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 487' ' ' ILE . 5.9 t -69.98 -54.58 12.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 71.099999999999994 110.401 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.6 m-85 -86.9 41.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 65.019999999999996 111.019 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.682 ' O ' HD23 ' A' ' 533' ' ' LEU . 17.3 mttm -40.44 154.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 74.340000000000003 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 63.43 111.063 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -59.27 -15.89 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 72.239999999999995 109.656 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -42.71 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.25 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.791 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.44 0.162 . . . . 63.5 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 533' ' ' LEU . 0.0 OUTLIER -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 109.36 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.88 ' CG ' HD12 ' A' ' 453' ' ' ILE . 4.7 p90 -173.8 -177.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 71.120000000000005 111.066 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 398' ' ' VAL . 1.6 t -135.14 93.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 73.010000000000005 109.35 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 397' ' ' PHE . 93.6 mt -69.05 97.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.358 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 427' ' ' PHE . 5.6 mt -80.54 95.06 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.519999999999996 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.5 p80 -123.15 173.14 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.566 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.452 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.47 -160.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 44.119999999999997 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -98.92 -15.01 19.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 73.319999999999993 110.294 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.4 16.58 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 61.119999999999997 109.351 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.562 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.1 OUTLIER -120.27 28.01 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 72.340000000000003 109.375 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.486 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 24.7 tt0 -65.76 -77.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.230000000000004 110.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 408' ' ' ILE . 2.5 p-80 -39.46 -34.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 63.009999999999998 109.61 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 407' ' ' HIS . 64.7 mt -59.44 -53.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 74.230000000000004 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -67.37 -52.24 42.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 54.530000000000001 109.279 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.0 mt -47.8 -24.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 53.399999999999999 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -77.86 -38.86 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.1 t -68.35 -54.63 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 72.409999999999997 109.368 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 416' ' ' LEU . 9.7 mtm180 -37.04 -47.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 110.303 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.4 mm-40 -74.74 -49.22 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.450000000000003 110.285 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -24.86 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.219999999999999 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.943 ' HB3' HG13 ' A' ' 421' ' ' VAL . 13.8 mt -75.68 -35.53 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.019999999999996 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 3.6 mt-10 -66.7 -8.37 27.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -92.06 -6.03 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 53.299999999999997 109.315 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 524' ' ' VAL . 5.9 mt -117.73 -45.01 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 74.120000000000005 109.247 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 172.42 -71.79 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 65.230000000000004 111.026 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.943 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.8 OUTLIER -46.73 137.64 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.606 0.827 . . . . 64.099999999999994 109.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.579 ' HG2' HD22 ' A' ' 396' ' ' ASN . 18.5 Cg_endo -74.96 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.431 1.753 . . . . 71.430000000000007 111.062 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 7.1 p-10 -50.87 -47.75 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 86.45 -101.55 2.63 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.601 1.188 . . . . 72.340000000000003 111.015 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 169.03 173.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 64.140000000000001 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 4.9 p -151.29 120.67 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 73.409999999999997 110.402 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.867 ' O ' HD23 ' A' ' 400' ' ' LEU . 2.3 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 63.299999999999997 111.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 472' ' ' ALA . 47.1 mt-30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.267 -0.271 . . . . 54.109999999999999 110.267 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.1 t70 -72.06 -13.73 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 72.049999999999997 109.279 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.654 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -87.38 -11.76 48.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 75.450000000000003 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 469' ' ' VAL . 5.2 mt -98.03 -21.51 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.264 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -104.03 -43.82 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.197 . . . . 71.120000000000005 109.283 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 4.5 t-160 -78.7 -56.68 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 75.230000000000004 109.658 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -70.91 153.05 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 60.030000000000001 109.997 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.11 -69.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 41.149999999999999 109.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.571 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 14.7 m-85 -134.99 133.93 39.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.129999999999995 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.654 HD11 ' C ' ' A' ' 445' ' ' ALA . 13.2 mm -69.06 131.63 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 74.349999999999994 109.296 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.88 HD12 ' CG ' ' A' ' 397' ' ' PHE . 82.9 mt -105.92 125.12 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 75.030000000000001 109.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.863 ' CD2' HG13 ' A' ' 486' ' ' VAL . 0.6 OUTLIER -107.28 91.28 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 64.329999999999998 109.206 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 457' ' ' THR . 9.1 tp -62.63 80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 70.140000000000001 109.326 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.66 HD22 ' SG ' ' A' ' 462' ' ' CYS . 8.5 mt -62.49 92.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.349999999999994 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 455' ' ' LEU . 31.5 p -124.76 145.18 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.633 1.208 . . . . 71.140000000000001 110.345 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -18.67 5.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 65.319999999999993 110.051 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.7 -26.67 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.343 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 58.5 t80 -100.97 171.78 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 75.099999999999994 111.085 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 6.2 m-20 -123.97 127.16 47.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 62.229999999999997 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.66 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.3 m -79.05 -50.15 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.020000000000003 108.376 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 16.7 mtp180 -38.73 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 110.411 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.2 tm? -74.26 -75.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 73.209999999999994 109.222 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 400' ' ' LEU . 0.2 OUTLIER -41.77 -59.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 55.109999999999999 110.049 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -49.42 -36.36 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 72.129999999999995 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 6.7 t60 -76.11 -27.88 57.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 65.549999999999997 109.654 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 3.7 mt-30 -77.0 -66.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 1.052 HG23 HD11 ' A' ' 446' ' ' ILE . 7.1 p -47.36 -52.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.371 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.482 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.2 m120 -40.4 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 73.209999999999994 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 17.8 mm-40 -48.87 -46.82 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 74.400000000000006 110.259 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -52.18 -40.19 61.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 54.210000000000001 109.228 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 3.4 mmt -70.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.040000000000006 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.538 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -58.97 -14.53 9.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 73.209999999999994 111.047 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 41.9 t -91.94 -19.83 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.140000000000001 109.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.731 HD22 ' HD3' ' A' ' 479' ' ' ARG . 3.0 t-20 -143.58 87.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 64.450000000000003 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.7 mt -111.02 -20.96 12.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.226 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.0 t -72.42 -4.13 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 73.219999999999999 110.361 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.731 ' HD3' HD22 ' A' ' 476' ' ' ASN . 0.1 OUTLIER -102.39 -74.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.549999999999997 110.285 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -116.17 -30.61 5.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 110.321 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 37.67 44.62 1.35 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 111.019 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.8 m -111.51 97.81 37.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.434 0.726 . . . . 53.420000000000002 109.979 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.442 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 17.9 Cg_endo -75.09 0.3 9.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 63.039999999999999 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.5 15.78 20.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.12 37.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.863 HG13 ' CD2' ' A' ' 454' ' ' LEU . 13.6 t -121.58 141.56 41.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 72.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.863 HD13 ' O ' ' A' ' 486' ' ' VAL . 5.4 mm -142.43 94.93 6.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 62.109999999999999 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.514 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.564 1.823 . . . . 70.530000000000001 110.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.4 t80 -77.95 169.05 18.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 75.540000000000006 110.953 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.547 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.8 tm? -152.88 103.39 2.66 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.464 1.103 . . . . 70.010000000000005 109.211 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.547 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.01 159.88 40.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 63.310000000000002 110.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 1.025 HD21 ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -69.89 -27.74 65.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 53.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.1 -28.24 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.42 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 29.7 m -117.61 175.73 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 62.43 110.016 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.32 165.56 18.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 51.020000000000003 110.038 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.77 6.87 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.435 1.755 . . . . 62.200000000000003 111.023 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.97 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.01 -6.09 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 75.549999999999997 110.394 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 12.6 mt -98.98 163.66 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 64.299999999999997 109.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 9.9 m -55.41 -179.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 72.319999999999993 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 7.4 t -86.21 -23.24 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 64.310000000000002 110.047 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 505' ' ' SER . 21.3 t0 -77.02 -33.38 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -43.64 -44.94 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.403 1.065 . . . . 75.109999999999999 110.358 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 504' ' ' ALA . . . . . 0.483 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -58.53 -37.25 75.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 42.310000000000002 109.304 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.6 t -82.31 -18.94 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 41.009999999999998 109.965 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 503' ' ' THR . 88.7 mt -71.71 -39.35 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 73.129999999999995 109.3 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -125.97 25.47 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 62.100000000000001 109.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 508' ' ' SER . . . . . 0.483 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.1 OUTLIER -54.44 -31.68 55.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.200000000000003 110.034 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.5 -30.87 5.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 71.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.03 150.04 21.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 51.32 109.363 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 29.4 t -76.04 107.43 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 55.240000000000002 109.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.51 119.19 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 72.349999999999994 110.357 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.755 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.9 tp -102.06 142.88 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 2.2 m-20 -144.59 167.44 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.030000000000001 109.291 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 1.025 ' CD ' HD21 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -106.76 -4.75 19.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 70.0 110.239 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -110.09 31.43 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.439999999999998 109.541 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.9 t -122.56 129.95 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 53.530000000000001 109.99 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -76.9 -1.95 31.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.193 . . . . 73.219999999999999 110.231 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.766 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.8 -27.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 61.310000000000002 109.329 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.91 -35.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 72.439999999999998 111.033 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 419' ' ' LEU . . . -56.29 -47.19 79.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 65.010000000000005 109.285 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.73 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.61 -20.16 60.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 60.229999999999997 110.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.766 ' CD ' HD11 ' A' ' 519' ' ' ILE . 27.9 mmmt -74.34 -44.4 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 41.25 109.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 419' ' ' LEU . 1.3 p -76.34 -43.09 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -68.57 -8.78 44.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 71.010000000000005 109.34 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 7.4 m-20 -89.37 -50.25 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.252 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.554 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.0 t -85.19 -54.35 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 61.009999999999998 110.384 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 67.6 m-85 -86.3 55.77 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 73.430000000000007 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.808 ' O ' HD23 ' A' ' 533' ' ' LEU . 59.4 mttt -64.87 159.63 61.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 109.278 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 73.319999999999993 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -76.27 -3.16 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 71.450000000000003 109.639 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -101.9 -28.85 12.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 110.305 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.1 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 71.109999999999999 109.215 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.605 0.24 . . . . 73.319999999999993 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.746 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.5 m-80 -111.54 -14.11 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 64.25 109.243 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.838 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.4 p90 -171.7 124.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.065 . . . . 72.439999999999998 111.02 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 452' ' ' ILE . 1.2 p -88.55 112.24 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.030000000000001 109.361 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.769 HD11 ' HE2' ' A' ' 397' ' ' PHE . 47.4 mt -83.4 105.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 74.510000000000005 109.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -86.49 121.84 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 74.150000000000006 109.344 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.1 p80 -152.56 -173.17 4.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 64.310000000000002 109.605 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -85.54 -159.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 64.219999999999999 109.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -99.25 -14.88 19.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.51 17.11 23.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 74.129999999999995 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.82 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.5 OUTLIER -124.45 27.67 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 109.307 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.588 ' HG2' HD13 ' A' ' 410' ' ' LEU . 33.0 tt0 -64.46 -72.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 6.1 p80 -41.44 -36.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.019999999999996 109.6 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 405' ' ' ASP . 56.6 mt -59.11 -49.69 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 52.420000000000002 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -70.4 -57.27 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.439999999999998 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 406' ' ' GLU . 9.5 mp -52.46 -21.4 3.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 72.409999999999997 109.294 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 6.6 ttt85 -79.11 -31.94 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.253 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 416' ' ' LEU . 3.3 t -79.32 -47.94 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.450000000000003 109.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.478 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.5 mtm180 -37.86 -49.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 72.040000000000006 110.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 417' ' ' GLU . 8.0 mm-40 -73.28 -52.59 13.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.617 1.198 . . . . 65.150000000000006 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.1 OUTLIER -48.77 -23.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 73.329999999999998 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.871 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.8 mt -78.84 -39.44 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.459 ' CD ' ' HA ' ' A' ' 422' ' ' PRO . 2.8 mt-10 -65.78 -9.31 27.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.540000000000006 110.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -87.74 -6.73 58.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 24.239999999999998 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.503 ' CD1' HG11 ' A' ' 524' ' ' VAL . 4.0 mt -119.34 -45.11 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.396 1.06 . . . . 74.219999999999999 109.263 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 179.13 -78.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 111.016 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.82 138.06 1.08 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 54.43 109.232 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.99 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 70.340000000000003 110.927 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.516 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 10.2 p-10 -62.22 -42.84 99.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 73.219999999999999 109.308 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.684 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.77 -96.84 1.32 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.44 1.088 . . . . 71.140000000000001 111.042 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.05 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 0.822 . . . . 72.219999999999999 109.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.0 p -152.18 117.63 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 71.209999999999994 110.384 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.634 ' O ' HD23 ' A' ' 400' ' ' LEU . 1.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 44.049999999999997 111.018 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.573 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 27.9 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.285 -0.265 . . . . 74.120000000000005 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.24 -44.78 95.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 60.229999999999997 109.344 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -66.28 -28.64 68.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 61.399999999999999 109.297 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.469 HG13 ' CG1' ' A' ' 452' ' ' ILE . 19.2 mt -78.57 -7.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.245 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -104.21 -42.96 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.378 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -96.6 -54.87 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 61.399999999999999 109.62 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.7 OUTLIER -70.62 148.35 48.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 70.430000000000007 109.968 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.39 -76.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.267 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -119.9 132.33 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.239999999999995 110.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 398' ' ' VAL . 33.2 mm -69.24 127.52 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.219999999999999 109.341 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.5 mt -103.49 112.58 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 71.420000000000002 109.239 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 465' ' ' SER . 1.0 OUTLIER -94.61 103.91 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 75.150000000000006 109.374 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 457' ' ' THR . 6.7 tp -69.76 79.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 71.099999999999994 109.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.1 mt -58.93 93.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 74.239999999999995 109.351 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 455' ' ' LEU . 27.6 p -127.22 148.0 50.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 71.540000000000006 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.8 p -57.77 -16.57 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 65.25 110.016 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.99 -23.28 20.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.368 1.043 . . . . 75.519999999999996 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.594 ' CE2' ' OG ' ' A' ' 465' ' ' SER . 38.1 t80 -110.19 166.33 11.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 53.119999999999997 111.005 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 41.9 m-20 -104.23 137.76 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 74.430000000000007 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 456' ' ' LEU . 19.2 p -94.07 -46.3 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 64.420000000000002 108.408 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 463' ' ' ARG . 19.7 mtm105 -45.19 -59.84 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 110.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.593 HD11 ' CD ' ' A' ' 468' ' ' GLN . 2.9 tm? -49.79 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 55.210000000000001 109.243 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.0 OUTLIER -36.97 -54.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 74.439999999999998 109.963 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.7 tm? -54.98 -50.3 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 72.219999999999999 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 464' ' ' LEU . 3.4 m-70 -49.44 -57.23 7.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 71.299999999999997 109.649 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.593 ' CD ' HD11 ' A' ' 464' ' ' LEU . 82.1 mt-30 -50.0 -63.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.292 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.96 HG11 HG22 ' A' ' 486' ' ' VAL . 20.0 t -43.74 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.049999999999997 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLN . 2.6 m120 -40.39 -68.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.387 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 475' ' ' SER . 3.0 mm100 -37.48 -45.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.231 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.573 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 53.240000000000002 109.197 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.805 ' HE1' HG23 ' A' ' 486' ' ' VAL . 2.6 mtt -51.74 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.532 1.145 . . . . 53.350000000000001 111.089 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.731 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -47.77 -22.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 65.150000000000006 111.006 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 14.5 t -82.17 -34.59 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.319999999999993 110.042 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 473' ' ' MET . 52.7 t30 -129.55 89.81 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 74.030000000000001 109.312 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 474' ' ' MET . 9.9 mt -112.36 -20.55 11.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.445 HG23 ' CD ' ' A' ' 479' ' ' ARG . 8.9 t -74.36 -1.75 22.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.5 1.125 . . . . 63.149999999999999 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.445 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.3 OUTLIER -103.79 -74.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 72.519999999999996 110.308 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -116.15 -31.04 5.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 64.109999999999999 110.187 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 41.58 44.96 4.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.054 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.7 m -110.32 99.29 39.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 72.340000000000003 110.038 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.459 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -74.98 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.411 1.743 . . . . 71.209999999999994 110.956 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -94.89 20.64 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.439999999999998 109.285 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 74.7 m -93.6 21.32 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 61.210000000000001 108.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 11.1 t -112.73 126.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.1 mm -137.3 90.38 15.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.083 . . . . 75.450000000000003 109.357 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 103.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 75.400000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.502 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -77.86 164.99 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.040000000000006 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -141.93 98.79 6.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.299 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -74.98 149.08 36.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 63.130000000000003 111.0 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 492' ' ' LEU . 1.7 mt -61.79 -21.31 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 64.409999999999997 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -18.58 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 110.313 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.0 m -130.37 177.98 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 53.229999999999997 110.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.36 162.42 32.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 70.129999999999995 109.979 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.409 ' HB3' ' NH1' ' A' ' 512' ' ' ARG . 18.5 Cg_endo -74.89 -31.9 6.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 70.120000000000005 111.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.89 70.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 109.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 3.0 mt-30 -67.58 -11.64 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 72.540000000000006 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 503' ' ' THR . 1.6 mt -98.82 167.73 10.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.7 m -64.55 156.48 29.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 42.039999999999999 109.96 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 37.4 t -65.96 -10.53 40.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 73.129999999999995 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -80.96 -30.02 35.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 40.299999999999997 109.24 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.717 HG22 HD21 ' A' ' 507' ' ' LEU . 29.8 m -48.15 -49.82 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 74.319999999999993 110.443 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -45.45 -32.46 2.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 64.140000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 10.8 t -90.04 -29.98 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 70.239999999999995 110.047 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 503' ' ' THR . 92.7 mt -57.03 -38.32 72.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 65.129999999999995 109.366 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.717 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -100.3 16.94 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.288 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 12.4 t -51.89 105.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 61.399999999999999 110.025 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 89.88 -31.57 5.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 73.340000000000003 111.049 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 507' ' ' LEU . 9.8 mt -47.42 172.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 0.748 . . . . 70.150000000000006 109.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 487' ' ' ILE . 75.6 t -108.7 99.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 64.510000000000005 109.216 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.481 ' HD3' HD13 ' A' ' 507' ' ' LEU . 12.0 ttp180 -94.71 133.95 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.609 1.193 . . . . 63.140000000000001 110.295 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.64 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -105.29 161.24 14.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 109.179 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.6 m-20 -145.38 133.75 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 492' ' ' LEU . 5.3 tp10 -79.38 3.43 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 110.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.672 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.2 p-80 -124.67 38.57 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.601 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.7 t -133.51 126.54 31.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 60.240000000000002 109.947 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -75.76 -0.85 22.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.312 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.768 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.59 -27.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 70.329999999999998 109.32 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 513' ' ' LEU . 1.4 t80 -40.24 -34.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.549999999999997 110.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 54.100000000000001 109.335 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.743 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.71 -21.84 60.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.019999999999996 110.238 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.768 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.2 mmmt -72.73 -46.1 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 73.040000000000006 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -74.79 -45.79 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 52.229999999999997 109.309 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -65.11 -10.85 33.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 72.409999999999997 109.287 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.9 m-20 -86.23 -53.0 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.634 1.209 . . . . 72.450000000000003 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.4 t -78.98 -55.44 5.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 73.109999999999999 110.413 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.32 56.93 3.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 111.059 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.544 ' O ' HD23 ' A' ' 533' ' ' LEU . 41.6 mttt -72.94 158.51 87.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 75.420000000000002 109.228 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -33.94 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 74.010000000000005 111.061 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 532' ' ' ARG . 8.9 p-80 -69.42 -11.49 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.439999999999998 109.641 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 531' ' ' HIS . 19.3 mmm180 -101.74 -38.2 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.746 HD12 ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.409999999999997 109.218 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.398 0.142 . . . . 74.049999999999997 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.595 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.1 m-80 -114.72 -11.79 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 65.109999999999999 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.714 ' HE2' HD11 ' A' ' 399' ' ' ILE . 27.9 p90 -179.84 113.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 71.409999999999997 111.051 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.6 t -81.09 109.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 64.140000000000001 109.332 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.714 HD11 ' HE2' ' A' ' 397' ' ' PHE . 87.7 mt -77.95 95.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 70.25 109.358 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 427' ' ' PHE . 15.7 tp -78.24 112.21 14.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 20.1 p80 -138.08 -162.51 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.456 1.097 . . . . 74.129999999999995 109.707 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -93.55 -159.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 74.519999999999996 109.205 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 -23.36 15.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 61.439999999999998 110.385 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -102.59 17.07 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 109.285 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.478 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.7 OUTLIER -123.27 28.32 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 109.28 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 34.2 tt0 -66.12 -76.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 72.420000000000002 110.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 406' ' ' GLU . 3.8 p80 -38.22 -37.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 109.611 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 455' ' ' LEU . 28.4 mt -56.25 -54.82 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 109.334 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.42 -44.52 90.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.526 1.141 . . . . 64.349999999999994 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 11.5 mt -60.91 -25.14 66.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 61.32 109.279 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -79.2 -12.75 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.372 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -96.32 -52.89 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 72.010000000000005 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.485 ' CZ ' HD22 ' A' ' 410' ' ' LEU . 10.3 mtm180 -36.71 -42.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.335 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 415' ' ' LYS . 29.6 mt-10 -73.03 -60.67 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 55.310000000000002 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.78 -48.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 65.439999999999998 109.245 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.913 ' HB3' HG13 ' A' ' 421' ' ' VAL . 98.5 mt -47.94 -57.2 6.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 64.430000000000007 109.359 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 5.8 mt-10 -38.53 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 110.262 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.04 -54.1 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.378 1.048 . . . . 64.140000000000001 109.241 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.972 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.77 -45.26 75.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.317 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.36 -67.77 0.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 54.049999999999997 111.063 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.913 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.09 138.15 0.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 54.350000000000001 109.255 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.04 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 63.350000000000001 110.944 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.585 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -64.35 -42.03 96.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.510000000000005 109.267 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.17 -95.38 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 45.130000000000003 111.002 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.77 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 73.150000000000006 109.317 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -151.98 139.87 20.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 64.099999999999994 110.463 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 400' ' ' LEU . 24.1 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 110.989 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 447' ' ' ASP . 29.8 mm-40 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.289 -0.263 . . . . 73.010000000000005 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -71.62 -5.61 34.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 72.319999999999993 109.296 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 1.053 ' HB1' HD12 ' A' ' 452' ' ' ILE . . . -92.82 -36.34 12.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 63.420000000000002 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 473' ' ' MET . 0.1 OUTLIER -101.56 2.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 109.304 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 447' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 443' ' ' GLN . 80.9 m-20 -102.02 -48.97 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 51.130000000000003 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -138.53 67.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 64.439999999999998 109.557 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -162.07 114.95 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 110.045 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -39.26 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.476 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 14.3 m-85 -127.47 142.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 64.349999999999994 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 1.053 HD12 ' HB1' ' A' ' 445' ' ' ALA . 12.5 mm -79.46 131.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 109.369 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 528' ' ' PHE . 7.6 mt -109.14 113.72 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 109.333 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.629 ' CD2' HG13 ' A' ' 486' ' ' VAL . 1.2 mm? -97.81 106.39 18.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.483 HD21 HG22 ' A' ' 408' ' ' ILE . 11.5 tp -67.07 94.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 60.439999999999998 109.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 488' ' ' PRO . 4.8 mt -76.24 96.27 3.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 71.239999999999995 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.534 HG22 ' CD ' ' A' ' 491' ' ' PRO . 1.6 p -136.96 156.31 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 75.319999999999993 110.38 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -10.75 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.010000000000005 110.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.3 m120 -95.46 -4.64 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 65.150000000000006 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 400' ' ' LEU . 48.0 t80 -125.64 170.59 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 75.120000000000005 110.993 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 0.6 OUTLIER -120.39 117.56 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.283 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 463' ' ' ARG . 4.8 m -68.25 -48.52 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.450000000000003 108.225 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 467' ' ' HIS . 12.9 mtt-85 -38.35 -58.08 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 64.400000000000006 110.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 467' ' ' HIS . 1.7 tm? -58.5 -54.7 44.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 64.530000000000001 109.218 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 400' ' ' LEU . 0.6 OUTLIER -38.71 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 110.061 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.9 tm? -85.06 -50.49 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 61.43 109.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 463' ' ' ARG . 1.7 m-70 -51.79 -28.79 16.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.674 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.438 ' OE1' HD21 ' A' ' 400' ' ' LEU . 32.5 mt-30 -78.93 -77.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 53.130000000000003 110.249 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 466' ' ' LEU . 9.1 p -40.09 -30.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 71.530000000000001 109.377 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.441 ' CG ' HD13 ' A' ' 466' ' ' LEU . 2.1 m-20 -57.87 -74.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 64.040000000000006 109.223 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.547 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.4 mm100 -41.01 -47.17 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 110.367 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -52.94 -53.91 42.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 109.264 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.557 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 54.0 mtt -52.45 -70.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.400000000000006 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.81 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.17 -17.5 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 111.054 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.2 t -83.04 -28.28 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.016 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.2 t30 -139.08 88.56 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 53.030000000000001 109.286 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -111.55 -20.45 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 42.119999999999997 109.336 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.6 t -74.92 -1.4 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 73.319999999999993 110.353 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.418 ' HB2' ' ND2' ' A' ' 476' ' ' ASN . 15.6 mmm-85 -103.28 -73.5 0.66 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.332 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 0.4 OUTLIER -115.39 -33.58 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.200000000000003 110.253 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.08 44.8 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.909 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 66.8 m -109.93 99.77 40.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 74.530000000000001 110.079 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.557 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.08 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.598 1.841 . . . . 74.310000000000002 110.953 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -100.85 13.23 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.256 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 7.9 m -93.08 42.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 52.450000000000003 108.34 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 58.4 t -121.72 131.95 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 73.299999999999997 109.296 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.4 mm -136.01 98.06 11.94 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 75.049999999999997 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.5 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 74.540000000000006 111.005 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.455 ' HB2' HG23 ' A' ' 453' ' ' ILE . 6.5 t80 -77.74 169.22 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' A' ' 496' ' ' PRO . 2.8 tp -151.81 101.89 2.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 42.229999999999997 109.273 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.534 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 149.53 36.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 55.140000000000001 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.2 mp -56.71 -32.93 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.419 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.5 mm-40 -54.26 -33.35 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 74.519999999999996 110.295 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.436 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -116.26 -177.43 3.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 71.340000000000003 110.037 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.51 165.36 19.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 61.219999999999999 110.032 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.659 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -74.9 -31.18 6.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.578 1.831 . . . . 75.099999999999994 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.18 69.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 71.140000000000001 109.249 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 498' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 495' ' ' SER . 3.4 mt-30 -71.51 -5.18 31.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 65.25 110.273 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.91 163.75 12.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 70.349999999999994 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 7.1 p -71.08 154.97 41.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.209999999999994 110.001 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 8.3 t -65.76 -11.2 43.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 71.200000000000003 109.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.9 OUTLIER -84.72 -37.03 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 72.120000000000005 109.303 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.75 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -42.4 -27.52 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 72.209999999999994 110.433 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 504' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -71.56 -49.07 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 72.299999999999997 109.234 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 3.8 m -74.23 -17.72 60.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 64.150000000000006 109.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 503' ' ' THR . 62.0 mt -74.7 -33.05 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.618 1.199 . . . . 70.540000000000006 109.22 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.5 pp -111.55 16.31 20.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 63.119999999999997 109.284 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.1 t -50.58 100.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 62.409999999999997 109.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.68 -38.29 2.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 71.329999999999998 111.04 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 507' ' ' LEU . 28.7 mt -51.43 179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 71.430000000000007 109.334 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 38.5 t -112.75 92.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 71.150000000000006 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -52.95 107.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 72.329999999999998 110.24 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.769 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.7 tp -96.49 132.78 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.5 109.311 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.57 167.67 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.310000000000002 109.312 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 7.4 tp10 -113.75 -10.8 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 72.120000000000005 110.395 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -99.44 -12.81 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 72.510000000000005 109.55 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.35 133.0 38.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 110.02 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 518' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.4 pt20 -78.74 2.46 19.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 44.439999999999998 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 519' ' ' ILE . 0.1 OUTLIER -108.08 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 74.010000000000005 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.4 t80 -40.78 -34.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 111.036 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 521' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -54.9 -47.09 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 75.109999999999999 109.275 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 519' ' ' ILE . 8.8 mpt_? -75.18 -19.31 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 74.530000000000001 110.264 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.736 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.7 mmmt -74.56 -44.22 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.972 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -73.29 -40.68 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 109.328 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.73 -3.95 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 71.409999999999997 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.0 m-20 -95.22 -38.75 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 109.268 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.0 t -95.97 -54.21 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 55.32 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 453' ' ' ILE . 54.4 m-85 -85.92 50.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 63.020000000000003 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 30.7 mttt -61.37 160.05 26.92 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 62.439999999999998 109.23 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -32.71 5.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.587 1.835 . . . . 64.129999999999995 110.945 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.629 ' HE1' ' HD3' ' A' ' 532' ' ' ARG . 0.5 OUTLIER -70.33 -8.65 52.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 109.579 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.629 ' HD3' ' HE1' ' A' ' 531' ' ' HIS . 29.4 mmm180 -101.47 -54.42 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 51.439999999999998 110.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.595 HD12 ' OD1' ' A' ' 396' ' ' ASN . 1.6 mm? . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 109.345 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 1.1 m-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.198 . . . . 71.420000000000002 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 8.4 m-80 -112.61 -11.35 13.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 72.010000000000005 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.913 ' CD2' HD12 ' A' ' 453' ' ' ILE . 27.4 p90 -178.71 112.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 71.25 110.976 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 1.0 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -78.23 115.17 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.314 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.791 HD11 ' HE2' ' A' ' 397' ' ' PHE . 56.8 mt -87.09 121.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 55.329999999999998 109.263 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 427' ' ' PHE . 2.9 mm? -93.48 91.07 6.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.721 ' CB ' HD23 ' A' ' 455' ' ' LEU . 3.1 p80 -116.24 176.86 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.646 1.216 . . . . 73.200000000000003 109.593 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 401' ' ' HIS . . . -85.85 -158.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 109.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -98.6 -20.24 17.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 71.120000000000005 110.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.55 16.55 23.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 52.350000000000001 109.284 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 405' ' ' ASP . . . . . 0.476 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.9 OUTLIER -121.27 26.06 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 63.329999999999998 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.547 ' CG ' HD13 ' A' ' 410' ' ' LEU . 29.0 tt0 -61.06 -74.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 110.242 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 22.1 p-80 -42.2 -34.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 109.557 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.476 HD12 ' CG ' ' A' ' 405' ' ' ASP . 55.8 mt -60.53 -48.91 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 74.239999999999995 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.06 -58.14 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 73.120000000000005 109.258 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.547 HD13 ' CG ' ' A' ' 406' ' ' GLU . 8.7 mp -49.92 -23.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 74.25 109.236 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 1.3 tmm_? -76.26 -35.08 59.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 74.540000000000006 110.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.8 t -75.3 -54.76 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 73.5 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.0 mtm180 -33.09 -45.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -70.89 -61.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 74.310000000000002 110.274 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.649 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -38.78 -53.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.32 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 421' ' ' VAL . 87.8 mt -40.26 -57.14 1.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 72.129999999999995 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 417' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 416' ' ' LEU . 9.9 mt-10 -36.15 -43.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 74.209999999999994 110.378 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -51.8 -53.46 39.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 109.382 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 1.065 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.47 -45.98 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 61.039999999999999 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.84 -68.77 0.19 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 53.509999999999998 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.08 137.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 44.119999999999997 109.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.03 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 73.310000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.549 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 4.9 p-10 -65.48 -40.45 93.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.274 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.646 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 74.34 -96.28 0.9 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 65.409999999999997 110.974 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 166.44 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 72.140000000000001 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 399' ' ' ILE . 5.4 p -152.29 108.24 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 62.229999999999997 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' PHE . . . . . 0.815 ' O ' HD13 ' A' ' 400' ' ' LEU . 1.2 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.657 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 38.8 mt-30 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.294 -0.261 . . . . 74.310000000000002 110.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 0.2 OUTLIER -84.01 -15.93 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 64.219999999999999 109.328 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.654 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -83.0 -14.96 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.340000000000003 109.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.678 ' HA ' HD11 ' A' ' 452' ' ' ILE . 1.3 tt -82.11 -28.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.262 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.24 -27.54 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 109.307 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 5.3 t-160 -95.94 26.37 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.614 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -161.25 162.47 31.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 65.439999999999998 110.022 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -68.4 -72.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.200000000000003 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.423 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 11.9 m-85 -133.89 139.57 46.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 110.892 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 1.0 HG23 HG12 ' A' ' 398' ' ' VAL . 17.9 mm -78.7 130.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.913 HD12 ' CD2' ' A' ' 397' ' ' PHE . 77.0 mt -109.19 121.98 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.299999999999997 109.279 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 465' ' ' SER . 17.4 mt -97.48 98.7 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 65.409999999999997 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 401' ' ' HIS . 8.5 tp -69.83 79.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.572 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.9 mt -68.94 106.86 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.219999999999999 109.209 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 491' ' ' PRO . 70.6 p -137.9 154.19 49.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 60.030000000000001 110.38 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 39.9 p -59.21 -15.69 16.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.959 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.27 -20.08 20.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.233 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 51.6 t80 -114.45 171.59 7.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.592 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.6 m-20 -116.9 143.21 45.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.572 ' SG ' HD13 ' A' ' 456' ' ' LEU . 3.4 m -93.59 -54.37 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 63.109999999999999 108.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -38.88 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 73.25 110.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.0 tm? -75.34 -75.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.869 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -39.11 -52.68 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 110.032 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.5 tm? -54.9 -45.88 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 72.519999999999996 109.248 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.49 ' NE2' ' NE2' ' A' ' 471' ' ' GLN . 11.5 t-160 -57.63 -55.38 35.54 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 469' ' ' VAL . 3.8 mt-30 -57.99 -69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 74.299999999999997 110.306 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' A' ' 472' ' ' ALA . 0.7 OUTLIER -39.67 -49.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 54.240000000000002 109.344 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ASN . . . . . 0.501 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 2.3 m120 -48.34 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.420000000000002 109.302 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 475' ' ' SER . 21.0 mt-30 -39.51 -45.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 62.020000000000003 110.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -46.49 -57.07 5.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 64.230000000000004 109.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.546 ' HE3' HG22 ' A' ' 486' ' ' VAL . 57.1 mtt -45.87 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 71.109999999999999 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.76 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.01 -17.71 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 64.349999999999994 110.98 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 19.2 m -82.63 -28.4 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 73.510000000000005 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 472' ' ' ALA . 48.4 t30 -141.18 90.6 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 65.200000000000003 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.0 mt -112.52 -21.09 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 51.32 109.213 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.1 t -75.99 0.28 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 64.319999999999993 110.383 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.421 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 14.2 mmt-85 -107.03 -72.91 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 110.233 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.2 OUTLIER -116.63 -34.96 4.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 44.149999999999999 110.316 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.444 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 39.43 56.92 2.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.607 1.192 . . . . 41.409999999999997 111.062 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.1 t -111.21 98.15 38.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 72.040000000000006 110.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.468 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.05 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 72.200000000000003 110.991 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -113.84 38.34 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.0 m -112.31 22.52 14.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 53.009999999999998 108.254 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.0 t -107.69 114.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 53.310000000000002 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.727 ' CG2' HD22 ' A' ' 513' ' ' LEU . 1.4 mm -122.67 98.41 43.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 60.219999999999999 109.378 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.42 ' CG ' ' HB2' ' A' ' 507' ' ' LEU . 18.2 Cg_endo -75.02 102.67 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 74.209999999999994 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.513 ' HD2' HD23 ' A' ' 513' ' ' LEU . 6.8 t80 -86.74 149.94 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.200000000000003 110.955 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.53 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.8 tm? -139.7 103.74 6.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 63.340000000000003 109.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.05 171.81 17.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 73.540000000000006 110.998 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.0 mp -75.89 -29.44 58.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.329999999999998 109.235 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.422 ' HB2' HD13 ' A' ' 408' ' ' ILE . 53.2 mm-40 -62.07 -29.69 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 71.439999999999998 110.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 491' ' ' PRO . 4.5 m -123.94 174.33 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 72.439999999999998 110.019 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.53 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.2 164.17 24.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 53.030000000000001 109.935 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -34.76 3.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 110.999 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -57.45 -36.55 71.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 53.149999999999999 109.355 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.54 -20.94 66.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.271 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 503' ' ' THR . 4.7 mt -86.74 169.94 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 73.519999999999996 109.242 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.6 m -61.97 152.52 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 1.113 . . . . 52.140000000000001 109.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 68.1 m -61.06 -14.52 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 64.120000000000005 109.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 505' ' ' SER . 3.1 m-20 -78.02 -35.1 50.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.626 1.204 . . . . 62.140000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.757 ' HA ' HD12 ' A' ' 506' ' ' LEU . 7.5 m -43.23 -55.32 4.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 60.020000000000003 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.97 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 71.400000000000006 109.204 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 502' ' ' ASP . 23.1 t -84.23 -26.57 28.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 110.001 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 503' ' ' THR . 94.8 mt -62.62 -41.09 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -117.57 22.76 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 74.5 109.324 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 508' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -59.4 -32.91 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 73.030000000000001 109.981 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.08 -27.05 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.968 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 50.7 mt -69.55 165.65 20.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 64.150000000000006 109.345 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 73.0 t -83.75 87.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 32.450000000000003 109.296 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.424 ' CZ ' ' OD2' ' A' ' 514' ' ' ASP . 1.2 tmm_? -52.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 110.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.727 HD22 ' CG2' ' A' ' 487' ' ' ILE . 4.9 tp -73.24 131.67 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 75.319999999999993 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -120.33 167.85 11.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 515' ' ' GLU . 10.1 tp10 -123.72 8.54 8.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 72.040000000000006 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.84 10.66 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 75.140000000000001 109.581 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.9 t -93.06 146.9 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 73.25 109.955 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -85.59 -6.09 59.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.71 -26.81 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 109.375 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.67 -34.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.240000000000002 110.947 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.72 81.1 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 73.230000000000004 109.27 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.4 mpt_? -73.8 -20.72 60.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 73.299999999999997 110.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.772 ' HD3' HD11 ' A' ' 519' ' ' ILE . 12.2 mmmt -74.08 -47.2 38.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 74.219999999999999 109.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 1.065 HG11 HD13 ' A' ' 419' ' ' LEU . 2.5 p -74.08 -35.11 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.530000000000001 109.285 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.61 43.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 70.129999999999995 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 526' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 2.1 m-20 -95.63 -47.22 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 6.3 t -80.51 -51.42 8.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 73.450000000000003 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.1 m-85 -93.78 65.06 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.399 1.062 . . . . 74.430000000000007 111.057 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.787 ' O ' HD23 ' A' ' 533' ' ' LEU . 0.1 OUTLIER -71.64 164.96 53.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.323 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.59 5.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.4 1.737 . . . . 50.020000000000003 111.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.595 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 6.9 p80 -76.98 -23.0 52.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.530000000000001 109.524 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 532' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 532' ' ' ARG . 6.4 mmt180 -92.99 -13.52 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 64.409999999999997 110.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 529' ' ' LYS . 2.5 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.310000000000002 109.342 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 395' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 3.2 m-85 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.597 0.237 . . . . 75.409999999999997 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' ASN . . . . . 0.653 ' OD1' HD13 ' A' ' 533' ' ' LEU . 2.4 t30 -113.27 -13.55 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.549999999999997 109.277 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 397' ' ' PHE . . . . . 0.796 ' CD2' HD12 ' A' ' 453' ' ' ILE . 23.7 p90 -164.18 130.38 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.969 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 398' ' ' VAL . . . . . 0.859 ' CG1' HG23 ' A' ' 452' ' ' ILE . 9.8 p -98.87 115.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 73.230000000000004 109.288 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 92.9 mt -85.61 100.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 74.549999999999997 109.189 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 400' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 455' ' ' LEU . 0.2 OUTLIER -76.74 122.63 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 61.219999999999999 109.275 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 401' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.1 p80 -149.55 -176.51 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.498 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 402' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -82.79 -159.47 0.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.346 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.7 -16.58 18.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.019999999999996 110.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.88 16.8 23.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.17 26.84 8.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 55.219999999999999 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 406' ' ' GLU . . . . . 0.478 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.1 tt0 -61.87 -77.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 110.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 407' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.6 p-80 -39.72 -40.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 62.530000000000001 109.569 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 408' ' ' ILE . . . . . 0.47 HG13 ' CE1' ' A' ' 407' ' ' HIS . 81.7 mt -55.54 -51.13 61.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 71.030000000000001 109.316 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.52 -50.04 64.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.74 -13.56 34.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 65.129999999999995 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 411' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 407' ' ' HIS . 0.7 OUTLIER -84.96 -15.86 42.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 53.140000000000001 110.247 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 412' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 413' ' ' ARG . 4.2 t -96.38 -51.53 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.457 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.8 mtm180 -36.34 -40.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 72.430000000000007 110.323 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 414' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 415' ' ' LYS . 54.6 mt-10 -72.84 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -48.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 71.349999999999994 109.226 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 416' ' ' LEU . . . . . 0.903 ' HB3' HG13 ' A' ' 421' ' ' VAL . 88.4 mt -46.9 -60.17 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -38.68 -29.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 72.25 110.32 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -65.18 -53.65 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' LEU . . . . . 0.919 HD13 HG11 ' A' ' 524' ' ' VAL . 0.9 OUTLIER -68.51 -46.18 70.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 109.264 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 420' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 170.42 -70.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.32 137.19 1.02 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 73.120000000000005 109.346 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.02 -163.32 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.761 . . . . 74.450000000000003 110.976 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 423' ' ' ASP . . . . . 0.52 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 2.2 p-10 -62.04 -43.11 99.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 52.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.25 -96.99 1.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.435 1.084 . . . . 62.350000000000001 110.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.28 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.572 0.807 . . . . 74.439999999999998 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.7 p -152.03 158.75 43.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 70.5 110.394 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 75.310000000000002 110.969 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLN . . . . . 0.575 ' HB2' ' HB1' ' A' ' 472' ' ' ALA . 13.7 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.26 -0.274 . . . . 74.450000000000003 110.26 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 75.420000000000002 109.23 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' ALA . . . . . 0.814 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -76.46 -28.38 56.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 109.327 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' ILE . . . . . 0.716 HD11 HG23 ' A' ' 469' ' ' VAL . 6.9 mt -53.81 -33.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 109.294 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.78 -56.95 2.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 75.5 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -55.71 -50.21 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 72.010000000000005 109.601 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' SER . . . . . 0.646 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 1.1 m -84.88 137.01 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 51.210000000000001 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 396' ' ' ASN . . . -49.97 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 73.510000000000005 109.264 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' PHE . . . . . 0.576 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.9 m-85 -116.09 129.73 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 110.923 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' ILE . . . . . 0.859 HG23 ' CG1' ' A' ' 398' ' ' VAL . 19.8 mm -75.52 131.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.563 1.164 . . . . 75.030000000000001 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' ILE . . . . . 0.796 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.4 mt -105.8 116.81 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 486' ' ' VAL . 1.8 mp -95.52 109.88 22.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.362 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 457' ' ' THR . 8.3 tp -79.01 79.44 5.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' LEU . . . . . 0.773 HD12 HD22 ' A' ' 507' ' ' LEU . 3.9 mt -67.18 93.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.019999999999996 109.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 455' ' ' LEU . 15.8 p -128.57 153.85 46.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.340000000000003 110.405 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.4 p -59.23 -16.26 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.626 1.204 . . . . 65.329999999999998 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.3 m-20 -94.14 -18.97 21.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.361 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 46.7 t80 -111.0 160.45 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.540000000000006 111.044 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 11.1 t70 -106.41 131.07 54.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 71.430000000000007 109.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.94 -53.97 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 108.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -38.83 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 110.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 466' ' ' LEU . 1.5 tm? -72.88 -75.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 65.439999999999998 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 469' ' ' VAL . 1.5 p -38.62 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 72.340000000000003 109.966 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 466' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 464' ' ' LEU . 7.0 tt -73.05 -56.57 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.4 OUTLIER -52.85 -40.37 63.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 109.608 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 9.1 mt-30 -70.28 -74.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.214 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' VAL . . . . . 0.716 HG23 HD11 ' A' ' 446' ' ' ILE . 7.2 p -40.18 -32.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.219999999999999 109.214 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.98 -70.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 73.319999999999993 109.227 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' GLN . . . . . 0.619 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 35.3 mm-40 -48.84 -52.01 26.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 52.020000000000003 110.304 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 472' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 443' ' ' GLN . . . -50.95 -55.46 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.306 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' MET . . . . . 0.57 ' HE3' HG22 ' A' ' 486' ' ' VAL . 22.1 mtt -47.48 -71.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 65.099999999999994 111.032 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' MET . . . . . 0.716 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -57.42 -15.87 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 62.43 111.066 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 475' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 27.5 t -85.57 -24.52 27.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.569 1.168 . . . . 62.020000000000003 109.933 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 43.7 t30 -137.56 77.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 70.25 109.256 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 477' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -101.56 -21.71 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.509999999999998 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 5.9 t -72.2 -3.79 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 73.329999999999998 110.477 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 18.3 mmt-85 -101.21 -73.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 73.420000000000002 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -116.7 -35.01 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.200000000000003 110.259 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 481' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 38.49 58.07 1.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 71.530000000000001 111.048 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.09 94.44 43.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 73.519999999999996 110.084 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 483' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.87 0.18 9.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 62.030000000000001 111.044 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.91 15.15 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 65.200000000000003 109.224 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 4.7 m -93.9 20.99 7.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 61.130000000000003 108.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' VAL . . . . . 0.953 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.2 t -105.87 114.05 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.239999999999995 109.289 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.495 ' CG2' HD22 ' A' ' 513' ' ' LEU . 3.0 mm -115.61 95.12 42.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 65.239999999999995 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 488' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 97.54 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 74.319999999999993 111.012 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 489' ' ' PHE . . . . . 0.671 ' CD2' HD23 ' A' ' 513' ' ' LEU . 6.5 t80 -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 111.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 490' ' ' LEU . . . . . 0.557 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.4 tm? -152.44 103.92 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.450000000000003 109.274 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 491' ' ' PRO . . . . . 0.557 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.413 1.744 . . . . 75.420000000000002 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 492' ' ' LEU . . . . . 0.662 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.4 mp -78.07 -25.18 47.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 71.230000000000004 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.32 -36.23 83.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 52.399999999999999 110.371 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 494' ' ' SER . . . . . 0.439 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 23.1 m -120.5 170.95 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 72.010000000000005 110.025 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' SER . . . . . 0.414 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.6 OUTLIER -147.35 166.49 15.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.401 1.063 . . . . 72.230000000000004 109.996 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 496' ' ' PRO . . . . . 0.493 ' HB3' HH21 ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.01 -31.72 5.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 73.420000000000002 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.38 67.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 63.450000000000003 109.272 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -79.6 -12.81 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 72.409999999999997 110.237 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' LEU . . . . . 0.84 HD13 HG21 ' A' ' 503' ' ' THR . 12.0 mt -90.25 -174.76 4.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 74.219999999999999 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 500' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 501' ' ' SER . 3.0 t -80.85 173.24 12.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.046 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 501' ' ' SER . . . . . 0.402 ' N ' ' OG ' ' A' ' 500' ' ' SER . 8.4 t -79.91 -6.57 57.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 70.319999999999993 109.976 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 502' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 505' ' ' SER . 7.8 m-20 -97.21 -39.36 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 53.409999999999997 109.34 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' THR . . . . . 0.867 ' HA ' HD12 ' A' ' 506' ' ' LEU . 3.2 m -44.38 -26.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.164 . . . . 70.219999999999999 110.444 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.07 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 109.374 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.8 m -77.95 -10.64 59.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 110.038 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 63.1 mt -79.7 -27.71 40.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 51.240000000000002 109.251 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 456' ' ' LEU . 3.3 pp -111.14 -14.39 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.109999999999999 109.324 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 89.5 p -50.73 105.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.109999999999999 109.999 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 134.55 -23.69 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 71.409999999999997 110.98 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' LEU . . . . . 0.953 HD13 ' HB ' ' A' ' 486' ' ' VAL . 10.6 mt -104.62 136.93 43.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 72.439999999999998 109.26 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 511' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.5 t -53.42 108.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 64.340000000000003 109.34 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' ARG . . . . . 0.493 HH21 ' HB3' ' A' ' 496' ' ' PRO . 0.0 OUTLIER -70.45 134.37 47.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 513' ' ' LEU . . . . . 0.671 HD23 ' CD2' ' A' ' 489' ' ' PHE . 3.8 tp -104.84 149.49 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 61.43 109.372 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.0 t0 -145.32 167.72 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 60.020000000000003 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -112.26 -33.99 6.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 110.211 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 516' ' ' HIS . . . . . 0.45 ' CD2' ' OD2' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -95.83 29.4 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 75.030000000000001 109.549 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.1 t -105.61 156.99 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 73.329999999999998 110.004 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -102.88 -7.48 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 519' ' ' ILE . . . . . 0.786 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 71.409999999999997 109.302 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 520' ' ' PHE . . . . . 0.559 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.2 t80 -39.48 -35.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 75.340000000000003 111.045 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 62.350000000000001 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 522' ' ' ARG . . . . . 0.724 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -73.75 -19.18 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.430000000000007 110.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 523' ' ' LYS . . . . . 0.786 ' HD3' HD11 ' A' ' 519' ' ' ILE . 9.1 mmmt -77.06 -39.18 50.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 73.239999999999995 109.378 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 524' ' ' VAL . . . . . 0.919 HG11 HD13 ' A' ' 419' ' ' LEU . 0.5 OUTLIER -79.5 -46.64 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.340000000000003 109.319 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 525' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -64.48 -11.7 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 44.219999999999999 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -89.59 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.259 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 527' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 528' ' ' PHE . 7.7 t -74.99 -54.84 6.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 110.415 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 32.8 m-85 -86.31 46.35 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 73.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 529' ' ' LYS . . . . . 0.614 ' O ' HD23 ' A' ' 533' ' ' LEU . 46.7 mttt -45.69 152.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 65.540000000000006 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 71.129999999999995 110.945 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 531' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -54.51 -19.66 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.135 . . . . 74.340000000000003 109.545 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -87.95 -37.47 16.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 74.019999999999996 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 533' ' ' LEU . . . . . 0.653 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.382 1.051 . . . . 63.210000000000001 109.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 3.0 mtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.547 0.213 . . . . 65.319999999999993 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -169.62 134.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 71.150000000000006 110.318 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 88.1 p -98.45 99.38 10.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 64.219999999999999 109.993 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 31.0 p 41.37 46.32 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 1.052 . . . . 73.5 109.949 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 30.5 t -72.18 146.48 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.996 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.1 -178.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.287 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -83.42 115.27 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.510000000000005 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -117.13 134.97 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 55.310000000000002 109.284 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -158.01 141.78 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.374 1.046 . . . . 60.299999999999997 111.025 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 2.2 m-85 -102.15 169.24 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 65.340000000000003 111.034 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.981 ' OD1' HD13 ' A' ' 533' ' ' LEU . 14.8 m-80 -112.3 -14.29 13.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.219999999999999 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.843 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.0 p90 -164.69 153.12 12.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.953 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -109.67 115.51 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 71.030000000000001 109.262 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.702 HD11 ' HE2' ' A' ' 397' ' ' PHE . 54.0 mt -86.6 96.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 70.230000000000004 109.262 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.708 HD21 ' CD2' ' A' ' 427' ' ' PHE . 5.9 mt -80.74 118.68 22.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 63.549999999999997 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.622 ' CB ' HD23 ' A' ' 455' ' ' LEU . 11.2 p80 -155.0 158.24 38.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 64.099999999999994 109.589 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.616 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -56.97 -165.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 71.329999999999998 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -9.12 23.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 74.109999999999999 110.237 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.6 16.85 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 109.348 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.616 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -127.05 35.99 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 72.340000000000003 109.281 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 31.9 tt0 -66.43 -76.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 65.409999999999997 110.364 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 11.5 p-80 -38.19 -35.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 109.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 405' ' ' ASP . 47.9 mt -58.27 -54.95 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 109.297 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -65.45 -46.62 79.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.296 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -57.06 -25.54 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -80.91 -21.35 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 74.230000000000004 110.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.556 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 4.8 t -84.29 -52.53 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.069 . . . . 74.409999999999997 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.476 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.7 mtm180 -38.2 -51.47 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 64.430000000000007 110.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 67.4 mt-10 -67.12 -51.9 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.209999999999994 110.351 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.523 ' HA ' ' HZ2' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -50.06 -27.03 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 74.530000000000001 109.346 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -76.99 -33.8 57.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 62.340000000000003 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.443 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 4.9 mt-10 -76.19 -8.12 56.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 70.349999999999994 110.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -90.75 -9.35 46.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 63.299999999999997 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.612 HD13 HG11 ' A' ' 524' ' ' VAL . 0.8 OUTLIER -116.37 -44.96 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 73.010000000000005 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.14 -76.29 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 110.995 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -40.36 138.04 1.23 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 0.733 . . . . 74.219999999999999 109.363 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.95 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 64.329999999999998 111.048 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.441 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.9 p-10 -59.11 -44.46 91.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.02 -92.79 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 43.350000000000001 110.997 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.46 -175.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 0.76 . . . . 70.209999999999994 109.249 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.9 p -152.12 120.17 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.109999999999999 110.35 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.708 ' CD2' HD21 ' A' ' 400' ' ' LEU . 1.9 t80 -92.11 115.75 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 74.430000000000007 110.993 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 41.0 t -124.82 137.5 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 60.530000000000001 108.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -93.78 122.73 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 71.329999999999998 110.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -118.49 132.81 56.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 63.240000000000002 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -85.44 2.45 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 62.329999999999998 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -78.81 -37.67 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 61.329999999999998 110.284 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 11.3 m -84.61 178.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 63.539999999999999 109.398 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' HIS . . . . . 0.561 ' CE1' ' HA3' ' A' ' 437' ' ' GLY . 10.3 p-80 -71.36 -29.99 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 61.200000000000003 109.623 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 134.99 -64.07 0.59 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 71.099999999999994 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -93.03 42.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 75.319999999999993 110.283 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLY . . . . . 0.561 ' HA3' ' CE1' ' A' ' 434' ' ' HIS . . . -114.38 1.47 23.7 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.6 1.188 . . . . 71.510000000000005 111.103 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -105.52 -70.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 72.409999999999997 110.31 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.734 ' C ' HD12 ' A' ' 439' ' ' LEU . 1.2 pp -126.54 175.51 7.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 61.109999999999999 109.31 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.507 ' N ' HD12 ' A' ' 439' ' ' LEU . 12.6 t -66.94 -72.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.614 1.196 . . . . 73.099999999999994 110.009 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.55 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 1.7 m -157.6 -178.07 7.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 63.32 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.835 HD11 ' HA ' ' A' ' 469' ' ' VAL . 0.1 OUTLIER -82.94 -33.98 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 65.310000000000002 109.341 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.593 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 17.3 pt20 -73.39 -5.62 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 75.030000000000001 110.339 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -73.57 -48.24 34.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.264 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -67.04 -14.66 63.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 72.109999999999999 109.234 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.629 HD12 ' CB ' ' A' ' 472' ' ' ALA . 7.2 mt -79.93 -31.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 71.329999999999998 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.96 -12.02 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.219999999999999 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 444' ' ' ASP . 5.9 m-70 -106.42 -55.92 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 109.579 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.6 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 0.8 OUTLIER -79.94 143.03 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 72.019999999999996 110.003 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -53.26 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 485' ' ' CYS . 3.0 m-85 -121.71 130.53 53.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 74.040000000000006 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.953 HG23 HG12 ' A' ' 398' ' ' VAL . 26.0 mm -71.52 130.23 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.063 . . . . 72.540000000000006 109.222 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.843 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.8 mt -106.34 112.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 65.230000000000004 109.27 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.593 ' CD1' HG22 ' A' ' 452' ' ' ILE . 1.1 mp -95.41 107.55 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 71.219999999999999 109.396 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 457' ' ' THR . 7.2 tp -73.93 79.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 63.340000000000003 109.303 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 456' ' ' LEU . 5.6 mt -66.03 91.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.150000000000006 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.9 p -129.74 149.94 51.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.519999999999996 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 498' ' ' GLN . 0.4 OUTLIER -57.04 -17.57 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.014 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.585 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 6.7 m-20 -91.94 -22.84 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 73.299999999999997 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 48.6 t80 -104.37 165.25 11.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 73.420000000000002 110.959 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -106.62 124.15 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 55.100000000000001 109.259 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.4 m -92.2 -52.41 4.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 64.019999999999996 108.264 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -38.87 -59.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 54.25 110.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 464' ' ' LEU . 1.5 tm? -51.71 -61.49 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 75.25 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 464' ' ' LEU . 0.2 OUTLIER -39.29 -45.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 109.975 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 469' ' ' VAL . 1.9 tm? -59.84 -48.37 81.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 72.439999999999998 109.272 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 21.5 m-70 -56.86 -56.1 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 72.129999999999995 109.525 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.502 ' OE1' HD11 ' A' ' 464' ' ' LEU . 78.9 mt-30 -57.32 -69.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.835 ' HA ' HD11 ' A' ' 442' ' ' LEU . 0.6 OUTLIER -39.75 -45.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 109.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 473' ' ' MET . 2.5 m120 -56.55 -69.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 73.340000000000003 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.1 mm100 -40.67 -45.94 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 74.420000000000002 110.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.629 ' CB ' HD12 ' A' ' 446' ' ' ILE . . . -57.23 -46.09 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 50.420000000000002 109.196 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.527 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 32.7 mtt -64.64 -57.96 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.44 32.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 61.310000000000002 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.4 t -78.01 -53.08 7.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 75.450000000000003 109.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -133.08 94.66 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 63.200000000000003 109.346 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 473' ' ' MET . 10.0 mt -92.87 -37.23 12.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 74.349999999999994 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.4 t -56.56 -17.21 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 71.310000000000002 110.395 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -78.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.408 1.068 . . . . 73.230000000000004 110.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.51 -23.36 10.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 1.155 . . . . 74.430000000000007 110.405 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.4 43.8 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.416 1.072 . . . . 42.310000000000002 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.65 81.1 14.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 62.200000000000003 110.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.462 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.99 0.28 9.09 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.781 . . . . 70.019999999999996 111.022 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 34.1 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 50.520000000000003 109.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 451' ' ' PHE . 0.5 OUTLIER -106.49 20.38 19.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.439999999999998 108.31 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.939 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.9 t -92.5 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 109.211 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.939 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.1 mm -140.01 95.47 8.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.35 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 94.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 53.240000000000002 110.989 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.697 ' HD1' HD23 ' A' ' 513' ' ' LEU . 8.2 t80 -80.76 146.95 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 111.044 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.557 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.3 tm? -133.44 103.6 12.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 109.319 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 74.450000000000003 110.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.8 mp -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 109.222 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.485 ' HB2' HD13 ' A' ' 408' ' ' ILE . 3.5 mm-40 -58.89 -36.6 74.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.439999999999998 110.354 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -120.53 175.67 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 109.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.557 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.6 166.13 17.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 43.240000000000002 110.032 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.485 1.781 . . . . 73.219999999999999 110.994 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.06 -25.72 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.416 ' CB ' ' OG ' ' A' ' 458' ' ' SER . 2.0 mt-30 -75.97 -8.46 57.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 503' ' ' THR . 9.1 mt -97.66 161.92 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 109.377 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.3 m -61.45 162.11 8.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.587 1.18 . . . . 33.219999999999999 110.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 34.2 t -70.55 -6.53 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.140000000000001 110.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 505' ' ' SER . 83.2 m-20 -83.54 -36.13 24.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 65.010000000000005 109.193 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.895 HG22 ' CD2' ' A' ' 507' ' ' LEU . 67.9 m -42.51 -47.59 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 70.140000000000001 110.356 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.18 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 62.140000000000001 109.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 502' ' ' ASP . 43.4 t -78.71 -25.38 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 43.119999999999997 110.035 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 503' ' ' THR . 59.6 mt -69.44 -34.26 74.15 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.233 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.895 ' CD2' HG22 ' A' ' 503' ' ' THR . 0.4 OUTLIER -111.19 20.82 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 63.530000000000001 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 60.84 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.935 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 173.05 -38.45 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.168 . . . . 72.120000000000005 111.008 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 486' ' ' VAL . 13.2 mt -72.55 -179.65 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 73.540000000000006 109.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 70.4 t -104.66 99.46 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.394 1.059 . . . . 60.200000000000003 109.26 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 514' ' ' ASP . 2.4 tmm_? -52.04 113.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.371 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.697 HD23 ' HD1' ' A' ' 489' ' ' PHE . 9.0 tp -98.84 129.05 45.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.336 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 13.0 m-20 -116.01 167.48 10.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 5.2 tp10 -122.23 5.12 9.74 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.6 9.12 5.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 65.109999999999999 109.601 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.38 139.2 33.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 73.409999999999997 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' GLN . . . . . 0.407 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.2 pp0? -78.93 2.51 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.323 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.752 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.58 -27.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 65.400000000000006 109.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.0 t80 -40.01 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 55.530000000000001 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.41 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 34.539999999999999 109.315 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.22 -20.4 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.752 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.7 mmmt -73.65 -47.43 39.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 63.32 109.311 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.612 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -71.52 -45.5 67.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 74.140000000000001 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -66.51 -10.64 46.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 63.32 109.334 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.5 m-20 -87.91 -55.83 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 53.200000000000003 109.323 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -77.44 -54.05 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 62.409999999999997 110.359 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 58.4 m-85 -88.19 55.2 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 64.219999999999999 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 533' ' ' LEU . 47.9 mttt -60.66 159.91 22.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 72.209999999999994 109.295 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -31.62 6.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 73.209999999999994 111.056 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.48 ' NE2' ' NE ' ' A' ' 532' ' ' ARG . 3.6 p-80 -75.65 -13.9 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 74.400000000000006 109.56 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.48 ' NE ' ' NE2' ' A' ' 531' ' ' HIS . 25.3 mmt180 -98.16 -42.56 7.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 63.149999999999999 110.383 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.981 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER -56.3 -29.74 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 109.36 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 538' ' ' ALA . 28.7 mt-30 -91.85 -50.54 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 41.299999999999997 110.341 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.05 -16.09 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.439999999999998 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 15.2 tpt180 -90.99 -28.06 18.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 72.510000000000005 110.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -97.59 -10.61 24.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.27 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 541' ' ' ARG . . . -60.31 -15.92 29.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 73.109999999999999 109.322 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.419 ' CE ' ' HD2' ' A' ' 536' ' ' ARG . 76.6 mtm -85.79 -20.09 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.986 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -94.98 -41.01 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 73.140000000000001 108.01 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 538' ' ' ALA . 31.9 ptt180 -58.05 -22.57 50.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 70.140000000000001 110.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -42.26 -29.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 72.349999999999994 109.222 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 541' ' ' ARG . 56.7 mt-10 -60.92 -47.81 84.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 72.140000000000001 110.342 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 541' ' ' ARG . 72.3 mm-40 -78.01 -43.11 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.040000000000006 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 65.319999999999993 109.309 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 12.3 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.481 0.181 . . . . 73.120000000000005 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.87 132.58 49.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 70.340000000000003 110.311 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 27.7 t -123.76 17.15 9.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 1.173 . . . . 62.130000000000003 109.972 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 16.6 m -133.39 19.35 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 71.519999999999996 110.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.7 t 41.24 41.1 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 109.978 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -85.78 179.62 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 63.329999999999998 110.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -106.23 140.95 38.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 75.129999999999995 110.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -105.56 128.55 53.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -158.16 159.46 36.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 62.140000000000001 111.017 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -103.19 135.98 43.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 75.420000000000002 110.985 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.7 m-80 -112.39 -14.37 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 74.329999999999998 109.351 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 453' ' ' ILE . 11.0 p90 -170.7 136.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.815 HG12 HG23 ' A' ' 452' ' ' ILE . 3.9 p -100.01 105.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.261 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.764 HD11 ' HE2' ' A' ' 397' ' ' PHE . 22.3 mt -77.28 96.7 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.010000000000005 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 401' ' ' HIS . 0.7 OUTLIER -78.24 110.2 13.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 62.219999999999999 109.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 400' ' ' LEU . 19.7 p80 -144.82 174.2 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.450000000000003 109.587 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.476 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -67.59 -167.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 62.119999999999997 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -99.48 -11.23 21.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 62.109999999999999 110.33 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' A' ' 403' ' ' ARG . . . -104.3 16.88 25.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 74.129999999999995 109.278 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.698 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.88 26.98 6.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.281 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.552 ' HG3' HD13 ' A' ' 410' ' ' LEU . 23.2 tt0 -61.4 -75.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.394 1.059 . . . . 61.420000000000002 110.353 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 17.6 p-80 -41.91 -33.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 75.420000000000002 109.657 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.698 HD12 ' CG ' ' A' ' 405' ' ' ASP . 47.1 mt -62.24 -50.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -71.27 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 72.340000000000003 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 406' ' ' GLU . 8.2 mp -48.29 -24.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 64.409999999999997 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 0.0 OUTLIER -75.99 -36.5 59.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 72.040000000000006 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 489' ' ' PHE . 2.6 t -74.79 -52.32 19.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.45 1.093 . . . . 35.039999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 11.2 mtm180 -35.6 -45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.313 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 70.5 mt-10 -69.6 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 73.420000000000002 110.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.88 -52.45 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 65.349999999999994 109.314 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.932 ' HB3' HG13 ' A' ' 421' ' ' VAL . 94.5 mt -42.17 -57.52 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.416 1.073 . . . . 53.340000000000003 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 416' ' ' LEU . 8.9 mt-10 -36.61 -40.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 75.420000000000002 110.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -54.95 -53.59 53.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.0 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -66.9 -45.86 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.08 -70.68 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.092 . . . . 55.039999999999999 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.49 137.24 1.06 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 72.510000000000005 109.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.12 -166.15 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.389 1.731 . . . . 51.240000000000002 110.936 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.513 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 72.430000000000007 109.23 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.39 -95.67 1.69 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 71.310000000000002 110.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.38 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 74.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 11.2 p -151.68 145.2 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.474 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.863 ' CE1' HD21 ' A' ' 439' ' ' LEU . 8.7 t80 -107.22 163.75 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 62.149999999999999 111.064 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 1.8 p -136.47 154.38 50.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 73.140000000000001 108.373 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -47.11 170.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 110.242 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.1 OUTLIER -105.59 11.52 32.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 55.420000000000002 109.392 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 431' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 431' ' ' PHE . 25.9 t80 -110.65 21.75 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 111.082 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -108.57 -20.13 13.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 64.340000000000003 110.302 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 438' ' ' GLU . 2.0 m -106.52 174.14 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 75.319999999999993 109.246 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -57.78 -45.42 86.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 72.239999999999995 109.586 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 433' ' ' VAL . . . -152.9 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 62.020000000000003 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.04 30.82 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 74.230000000000004 110.302 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -96.43 26.6 20.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 24.510000000000002 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' GLU . . . . . 0.698 ' HG3' HG11 ' A' ' 433' ' ' VAL . 22.1 mm-40 -99.71 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 54.409999999999997 110.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.863 HD21 ' CE1' ' A' ' 427' ' ' PHE . 0.8 OUTLIER -122.44 158.55 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 60.240000000000002 109.268 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 49.6 m -44.97 -73.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.61 1.194 . . . . 74.439999999999998 110.004 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.597 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.6 p -175.74 173.33 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 73.430000000000007 108.317 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -68.07 -35.45 78.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 73.200000000000003 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.52 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 3.9 pt20 -64.21 -11.93 35.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 73.25 110.351 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -63.1 -20.54 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 74.129999999999995 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.532 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -88.26 -29.44 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.209999999999994 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.504 ' N ' HD11 ' A' ' 452' ' ' ILE . 2.5 mt -60.6 -22.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -56.49 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 75.120000000000005 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -65.55 -55.69 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.634 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -77.34 160.64 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 74.409999999999997 110.044 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.477 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -74.65 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 70.129999999999995 109.25 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 2.2 m-85 -118.43 129.06 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.815 HG23 HG12 ' A' ' 398' ' ' VAL . 14.3 mm -71.1 135.87 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 45.210000000000001 109.283 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.4 mt -110.79 120.99 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 63.219999999999999 109.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' A' ' 465' ' ' SER . 3.5 mt -100.96 106.85 18.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -73.57 79.6 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 71.349999999999994 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.4 mt -68.13 92.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 55.25 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 455' ' ' LEU . 17.3 p -127.22 158.4 37.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 62.310000000000002 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 p -64.25 -12.15 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.349999999999994 110.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.0 -11.32 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.239999999999995 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 461' ' ' ASP . 55.1 t80 -124.7 171.44 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 110.929 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 460' ' ' PHE . 29.8 p30 -120.14 126.23 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.25 109.233 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.689 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.0 p -83.15 -42.34 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 63.530000000000001 108.323 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -38.89 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.319999999999993 110.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.603 HD11 ' OE1' ' A' ' 468' ' ' GLN . 1.7 tm? -82.18 -54.95 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 70.030000000000001 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.844 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.75 -59.58 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 70.349999999999994 110.042 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 466' ' ' LEU . 3.4 tm? -52.34 -21.83 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 73.319999999999993 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 4.6 t60 -91.92 -25.72 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.010000000000005 109.591 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.603 ' OE1' HD11 ' A' ' 464' ' ' LEU . 48.2 mt-30 -86.21 -18.35 32.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 74.329999999999998 110.197 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.693 HG22 ' CE ' ' A' ' 473' ' ' MET . 0.5 OUTLIER -90.95 -49.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 65.109999999999999 109.332 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 2.9 m120 -56.12 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 71.010000000000005 109.304 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.622 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.1 mm100 -40.58 -46.24 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 65.140000000000001 110.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 468' ' ' GLN . . . -51.84 -53.71 37.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 63.409999999999997 109.27 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.693 ' CE ' HG22 ' A' ' 469' ' ' VAL . 8.4 mtt -53.01 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 74.239999999999995 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.807 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -53.08 -19.06 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 64.310000000000002 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.7 t -81.53 -30.83 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 61.020000000000003 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.526 ' ND2' HE22 ' A' ' 480' ' ' GLN . 47.7 t30 -137.76 90.63 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 44.539999999999999 109.326 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -112.75 -20.64 11.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 71.409999999999997 109.26 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.721 HG23 ' CD ' ' A' ' 479' ' ' ARG . 6.7 t -74.34 -1.51 21.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 54.32 110.473 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.721 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.4 OUTLIER -107.49 -72.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.543 1.152 . . . . 71.310000000000002 110.275 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.526 HE22 ' ND2' ' A' ' 476' ' ' ASN . 3.9 pm0 -116.49 -32.38 5.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 73.019999999999996 110.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 36.8 53.39 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 44.439999999999998 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.49 97.55 36.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.529 0.782 . . . . 71.329999999999998 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.85 0.92 8.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.558 1.82 . . . . 53.32 111.074 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.5 42.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.109999999999999 109.313 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 473' ' ' MET . 30.3 p -120.27 41.42 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 74.209999999999994 108.264 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.804 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.1 t -118.81 126.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 71.200000000000003 109.321 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.748 ' CG2' HD22 ' A' ' 513' ' ' LEU . 4.9 mm -133.04 93.05 23.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.222 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.05 95.34 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 64.430000000000007 110.978 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.5 t80 -78.3 158.06 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.239999999999995 111.034 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.588 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -145.75 104.13 4.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 61.509999999999998 109.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.5 Cg_endo -74.9 171.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 63.25 111.024 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -76.19 -27.43 56.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 109.361 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.97 -34.44 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 73.030000000000001 110.292 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.4 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 5.9 m -121.92 176.65 5.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 110.001 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.588 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.69 166.51 18.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 54.240000000000002 110.005 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.18 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.443 1.76 . . . . 74.329999999999998 111.0 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.48 -26.19 67.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -72.38 -11.86 60.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 43.329999999999998 110.255 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 503' ' ' THR . 7.5 mt -92.66 164.84 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 72.239999999999995 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 167.44 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.510000000000005 109.956 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -72.76 -5.44 37.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.5 OUTLIER -85.25 -38.14 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 71.010000000000005 109.269 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.853 ' HA ' HD12 ' A' ' 506' ' ' LEU . 54.3 m -42.13 -40.58 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 73.219999999999999 110.36 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.76 83.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 109.266 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -75.74 -14.29 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.040000000000006 109.954 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 503' ' ' THR . 46.3 mt -83.17 -35.32 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 53.539999999999999 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.5 pp -109.1 15.59 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 72.510000000000005 109.275 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 11.6 p -71.31 106.58 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 71.120000000000005 110.003 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 118.62 -29.67 6.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.101 . . . . 75.129999999999995 111.018 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.804 HD13 ' HB ' ' A' ' 486' ' ' VAL . 22.5 mt -76.81 -174.96 3.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 0.75 . . . . 72.439999999999998 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 511' ' ' VAL . 12.0 t -113.29 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 73.319999999999993 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.474 ' CZ ' ' OD1' ' A' ' 514' ' ' ASP . 0.0 OUTLIER -53.42 112.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 74.439999999999998 110.298 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -87.63 134.48 33.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 12.3 m-20 -121.03 167.63 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 109.335 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 412' ' ' VAL . 18.7 tt0 -122.07 5.5 9.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 75.450000000000003 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.25 12.07 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 70.25 109.513 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 517' ' ' SER . . . . . 0.405 ' OG ' HG23 ' A' ' 519' ' ' ILE . 5.5 t -95.86 139.12 32.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 61.350000000000001 110.032 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.96 -4.77 53.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.301 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.26 -26.34 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 109.212 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.7 OUTLIER -40.0 -35.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.140000000000001 110.993 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.35 -47.27 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.299999999999997 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.719 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.9 -20.35 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 12.9 mmmt -74.05 -44.04 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.310000000000002 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 1.0 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.32 -39.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 72.450000000000003 109.299 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -73.87 -3.94 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 24.309999999999999 109.339 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -96.54 -38.48 9.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.579 1.175 . . . . 74.120000000000005 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -92.3 -53.99 4.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 63.229999999999997 110.443 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.71 ' CE2' HD11 ' A' ' 453' ' ' ILE . 43.1 m-85 -85.99 44.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 53.310000000000002 111.028 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.2 mttm -48.52 157.94 0.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.349999999999994 109.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 530' ' ' PRO . . . . . 0.4 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.2 Cg_endo -74.95 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 72.200000000000003 111.014 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.0 OUTLIER -65.08 -11.62 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 62.439999999999998 109.624 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 536' ' ' ARG . 0.6 OUTLIER -84.86 -44.91 12.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 110.261 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.4 mm? -56.09 -58.19 8.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 538' ' ' ALA . 4.5 mt-30 -56.52 -53.08 61.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 75.329999999999998 110.283 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.56 51.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 64.310000000000002 109.263 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 18.3 tpp180 -95.01 -27.85 15.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 74.519999999999996 110.249 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -12.81 22.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 73.109999999999999 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 534' ' ' GLN . . . -54.0 -20.8 6.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.510000000000005 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 68.3 mtm -84.37 -29.03 26.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 51.229999999999997 111.04 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.584 ' CZ3' ' CD ' ' A' ' 544' ' ' GLN . 1.5 t90 -79.08 -55.62 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 55.310000000000002 108.018 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 544' ' ' GLN . 27.0 mtp180 -38.95 -37.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 65.120000000000005 110.253 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.02 -67.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -55.68 -27.44 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 73.310000000000002 110.33 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.584 ' CD ' ' CZ3' ' A' ' 540' ' ' TRP . 19.0 mm100 -73.68 -25.93 60.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 52.420000000000002 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 545' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 541' ' ' ARG . 10.3 t70 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 8.1 ttt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.53 0.205 . . . . 71.030000000000001 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -57.56 -174.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 75.420000000000002 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 8.3 t -127.16 40.52 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 71.310000000000002 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 3.8 t 71.02 56.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 70.239999999999995 110.019 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.3 m -51.53 115.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 74.129999999999995 109.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -89.61 177.38 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 74.329999999999998 110.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -108.84 148.47 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 65.209999999999994 110.282 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.471 ' HG2' ' CE1' ' A' ' 395' ' ' TYR . 1.6 tppp? -104.32 152.37 22.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 73.430000000000007 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.551 ' HB3' ' CE3' ' A' ' 540' ' ' TRP . 26.6 p90 -106.44 133.94 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 65.540000000000006 111.046 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 21.8 m-85 -136.36 169.08 18.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 72.109999999999999 111.02 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 1.2 m120 -112.68 -14.07 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.400000000000006 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 1.017 ' CD2' HD12 ' A' ' 453' ' ' ILE . 24.6 p90 -174.27 141.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 73.219999999999999 110.946 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -101.74 115.83 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.159 . . . . 73.120000000000005 109.326 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.848 HD12 HG22 ' A' ' 426' ' ' THR . 76.9 mt -80.19 119.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 65.299999999999997 109.278 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.698 HD23 HG13 ' A' ' 398' ' ' VAL . 0.7 OUTLIER -101.85 102.82 13.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.598 1.186 . . . . 74.010000000000005 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.666 ' HB3' HD23 ' A' ' 455' ' ' LEU . 16.4 p80 -134.1 -170.2 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.239999999999995 109.583 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -86.61 -162.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -16.73 18.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 72.400000000000006 110.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 17.0 23.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 74.439999999999998 109.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.847 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -123.17 27.67 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 64.340000000000003 109.26 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 41.2 tt0 -64.08 -74.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.395 1.059 . . . . 53.43 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 1.8 p80 -37.82 -34.78 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 62.219999999999999 109.609 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.847 HD12 ' CG ' ' A' ' 405' ' ' ASP . 24.3 mt -60.58 -56.08 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 109.324 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -62.72 -45.84 90.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 75.310000000000002 109.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 13.3 mt -61.43 -21.98 64.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 51.520000000000003 109.272 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -81.87 -13.1 58.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.510000000000005 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.483 HG21 ' CE2' ' A' ' 489' ' ' PHE . 6.1 t -96.51 -53.38 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 54.119999999999997 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.462 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -35.35 -43.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 74.450000000000003 110.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 415' ' ' LYS . 66.6 mm-40 -72.28 -61.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 74.430000000000007 110.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.51 -52.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 75.510000000000005 109.37 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.902 ' HB3' HG13 ' A' ' 421' ' ' VAL . 80.5 mt -45.34 -60.12 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.074 . . . . 75.040000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 2.9 mt-10 -36.54 -33.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.549999999999997 110.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -63.2 -55.59 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.934 HD13 HG11 ' A' ' 524' ' ' VAL . 1.7 mt -64.57 -45.69 85.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 71.230000000000004 109.379 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.34 -70.64 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 52.149999999999999 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.61 137.77 1.05 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 71.519999999999996 109.256 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -74.99 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 72.409999999999997 110.956 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.505 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 5.8 p-10 -59.15 -44.53 92.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 74.230000000000004 109.266 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.693 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.14 -94.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.585 1.178 . . . . 73.540000000000006 111.041 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 50.340000000000003 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.848 HG22 HD12 ' A' ' 399' ' ' ILE . 3.0 p -152.54 108.02 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.764 ' CE1' HD23 ' A' ' 439' ' ' LEU . 1.0 OUTLIER -95.96 93.96 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.430000000000007 110.995 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.443 ' HG ' ' CE1' ' A' ' 401' ' ' HIS . 27.3 p -130.61 134.16 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 62.020000000000003 108.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -176.46 112.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.040000000000006 110.308 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.95 71.23 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 71.129999999999995 109.352 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -108.71 44.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 64.310000000000002 111.036 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 60.16 18.24 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 64.420000000000002 110.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.478 HG21 ' OE1' ' A' ' 438' ' ' GLU . 30.0 m -51.09 -179.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 64.349999999999994 109.345 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 437' ' ' GLY . 3.6 p80 -93.23 -56.07 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 74.450000000000003 109.508 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -179.94 -62.17 0.08 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 64.420000000000002 110.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' ARG . . . . . 0.426 ' O ' ' CD ' ' A' ' 436' ' ' ARG . 0.0 OUTLIER -113.45 59.97 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.425 0.721 . . . . 71.040000000000006 110.267 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 434' ' ' HIS . . . -127.85 9.03 6.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.464 1.103 . . . . 63.439999999999998 111.085 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' GLU . . . . . 0.478 ' OE1' HG21 ' A' ' 433' ' ' VAL . 5.2 mt-10 -106.67 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 75.310000000000002 110.242 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 427' ' ' PHE . 1.6 pp -134.03 179.86 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.241 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.585 ' N ' HD12 ' A' ' 439' ' ' LEU . 72.0 p -47.68 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 43.240000000000002 110.075 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 444' ' ' ASP . 1.7 m -159.25 153.46 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 43.030000000000001 108.328 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.903 ' O ' HD12 ' A' ' 442' ' ' LEU . 0.2 OUTLIER -64.19 -48.09 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.030000000000001 109.344 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER -54.76 -18.75 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 53.340000000000003 110.243 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.448 ' O ' ' ND1' ' A' ' 448' ' ' HIS . 15.8 t70 -53.45 -35.57 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 75.420000000000002 109.27 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -75.76 -26.39 57.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 41.450000000000003 109.322 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 469' ' ' VAL . 1.1 mt -77.34 -10.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 42.450000000000003 109.332 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.13 -49.35 3.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.310000000000002 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.651 ' CD2' ' N ' ' A' ' 449' ' ' SER . 5.5 p-80 -88.32 -53.77 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.109999999999999 109.633 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.651 ' N ' ' CD2' ' A' ' 448' ' ' HIS . 0.1 OUTLIER -70.77 151.37 44.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 63.149999999999999 109.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -67.11 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 109.336 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 485' ' ' CYS . 19.3 m-30 -120.02 134.43 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 111.001 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.9 HG23 HG12 ' A' ' 398' ' ' VAL . 16.4 mm -70.99 134.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 62.450000000000003 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 1.017 HD12 ' CD2' ' A' ' 397' ' ' PHE . 6.1 mt -108.34 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.299999999999997 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 465' ' ' SER . 6.7 mt -88.89 107.42 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 61.130000000000003 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 401' ' ' HIS . 7.5 tp -75.33 79.5 2.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 75.230000000000004 109.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 456' ' ' LEU . 4.3 mt -63.59 91.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 71.209999999999994 109.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.475 HG22 ' CG ' ' A' ' 491' ' ' PRO . 77.5 p -127.84 150.38 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.063 . . . . 75.510000000000005 110.379 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 77.5 p -59.84 -15.38 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 72.519999999999996 109.953 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.565 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.9 m120 -91.09 -20.61 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 61.539999999999999 109.259 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 79.6 t80 -111.43 172.42 6.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 65.420000000000002 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.495 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -125.72 131.29 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.200000000000003 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 456' ' ' LEU . 12.2 t -94.03 -42.42 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 108.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 462' ' ' CYS . 42.0 mtp180 -38.61 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -84.64 -71.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 71.109999999999999 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.5 OUTLIER -41.53 -59.42 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 64.049999999999997 110.02 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 466' ' ' LEU . 1.6 tm? -48.24 -37.92 17.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 44.350000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.9 OUTLIER -73.54 -31.0 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 62.020000000000003 109.541 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.853 ' HB3' HD23 ' A' ' 442' ' ' LEU . 6.5 mt-30 -77.74 -69.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 110.364 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 446' ' ' ILE . 5.2 p -41.75 -50.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 63.200000000000003 109.326 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.487 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.1 m120 -43.39 -48.9 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 71.239999999999995 109.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -68.63 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 52.210000000000001 110.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.545 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -66.06 -27.17 67.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.209999999999994 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.712 ' HE3' HG23 ' A' ' 486' ' ' VAL . 16.2 mtt -72.75 -57.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.988 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -66.47 -8.35 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.100000000000001 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -108.47 -1.12 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.519999999999996 110.003 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.556 ' O ' ' ND2' ' A' ' 476' ' ' ASN . 12.2 t30 -130.46 52.42 2.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 74.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 3.7 mt -96.82 -15.8 21.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.4 t -85.9 1.82 48.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 71.099999999999994 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 4.1 mmt-85 -111.35 -72.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 72.430000000000007 110.207 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 481' ' ' GLY . 5.2 pt20 -119.4 -36.82 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.417 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.43 55.5 29.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.0 m -127.76 107.69 20.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 53.340000000000003 109.983 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.97 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.566 1.824 . . . . 74.340000000000003 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.45 33.61 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 451' ' ' PHE . 26.2 p -107.02 34.55 3.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 62.420000000000002 108.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.892 ' O ' HD13 ' A' ' 487' ' ' ILE . 45.9 t -129.98 136.38 58.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 65.209999999999994 109.24 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.7 mm -141.46 101.52 6.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 65.219999999999999 109.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.456 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.532 1.806 . . . . 74.099999999999994 110.991 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.483 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.4 t80 -80.08 158.42 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 73.5 110.971 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.464 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -143.0 101.14 5.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.319999999999993 109.361 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.475 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.56 1.821 . . . . 74.230000000000004 110.99 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.646 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.8 mp -76.78 -27.75 55.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.439999999999998 109.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.06 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 110.257 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.6 m -118.99 173.08 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 61.329999999999998 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.8 165.27 23.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 70.200000000000003 109.948 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.464 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.0 -32.95 4.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 72.329999999999998 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.82 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 64.019999999999996 109.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.37 -9.61 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 110.26 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.886 HD12 HG21 ' A' ' 503' ' ' THR . 4.2 mt -97.3 163.0 13.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 50.0 m -66.26 161.32 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 74.120000000000005 110.016 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 44.0 t -65.17 -11.18 37.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 42.509999999999998 109.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.4 m-20 -81.39 -40.01 24.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 73.439999999999998 109.251 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.886 HG21 HD12 ' A' ' 499' ' ' LEU . 1.4 m -41.96 -38.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 70.430000000000007 110.418 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.68 89.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.471 1.107 . . . . 62.549999999999997 109.248 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 30.5 t -73.98 -18.52 60.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.956 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 58.4 mt -76.22 -35.33 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.210000000000001 109.225 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.8 pp -110.42 16.3 21.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 70.140000000000001 109.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 107.4 6.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 74.439999999999998 109.997 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.29 -24.31 7.78 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 70.340000000000003 111.077 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.46 -178.81 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 0.718 . . . . 63.350000000000001 109.275 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 76.1 t -108.97 99.68 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.209999999999994 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 496' ' ' PRO . 4.1 ttm180 -66.89 121.56 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 73.450000000000003 110.376 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 524' ' ' VAL . 4.4 tp -83.25 153.2 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 62.450000000000003 109.364 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 3.4 m-20 -135.88 167.54 21.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 72.400000000000006 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 11.7 tt0 -126.33 1.78 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 70.349999999999994 110.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.7 11.65 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 55.240000000000002 109.591 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 517' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 519' ' ' ILE . 2.0 t -99.25 137.3 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 74.239999999999995 110.062 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.75 -2.24 38.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 110.308 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.58 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.29 -35.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.985 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.706 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.99 -47.17 74.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 40.119999999999997 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.709 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -74.21 -21.53 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 65.439999999999998 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.7 mmmt -72.99 -42.33 63.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.934 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -77.84 -44.4 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 63.43 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.67 -9.15 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 63.210000000000001 109.324 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.4 m-20 -86.72 -49.9 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 70.310000000000002 109.378 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.9 t -85.15 -54.97 4.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.439999999999998 110.368 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 453' ' ' ILE . 41.9 m-85 -84.03 47.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 111.041 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.625 ' O ' HD23 ' A' ' 533' ' ' LEU . 66.0 mttt -54.92 159.36 3.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.066 . . . . 75.140000000000001 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 54.009999999999998 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 7.6 p80 -56.77 -18.1 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 74.310000000000002 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 1.3 mpt_? -99.51 -42.0 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 65.329999999999998 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 529' ' ' LYS . 0.3 OUTLIER -55.92 -43.11 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.328 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -73.11 -44.81 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 72.430000000000007 110.286 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -52.48 -22.07 4.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 64.209999999999994 109.336 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -96.85 -24.32 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 70.310000000000002 110.288 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 541' ' ' ARG . 33.6 mmtt -83.86 -6.01 59.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 54.020000000000003 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 54.100000000000001 109.274 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 8.6 mtm -77.77 -50.86 11.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 74.25 110.989 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.551 ' CE3' ' HB3' ' A' ' 394' ' ' PHE . 10.6 m95 -59.85 -32.83 71.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 75.200000000000003 108.077 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 537' ' ' LYS . 4.7 mtp-105 -59.22 -15.64 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 63.409999999999997 110.241 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -71.39 -32.26 68.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 72.040000000000006 109.299 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 543' ' ' GLU . 16.5 mp0 -91.63 -18.74 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 42.240000000000002 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -85.47 -37.17 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 71.349999999999994 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 54.350000000000001 109.267 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 3.6 mmm . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.522 0.201 . . . . 44.520000000000003 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.22 126.72 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 74.409999999999997 110.281 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 28.1 t -94.09 15.79 16.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 74.420000000000002 110.046 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 4.8 p -130.64 19.38 5.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 33.420000000000002 109.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 t -67.14 99.78 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 62.350000000000001 110.042 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -176.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 51.25 110.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -90.22 162.28 15.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 74.319999999999993 110.256 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -149.47 135.36 18.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 44.43 109.331 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 155.1 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.175 . . . . 54.020000000000003 110.993 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 8.2 m-30 -116.29 145.88 42.83 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.928 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.5 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.8 m-80 -111.58 -14.22 13.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 51.409999999999997 109.253 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.776 ' CD2' HD12 ' A' ' 453' ' ' ILE . 3.2 p90 -165.5 147.82 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -106.4 114.61 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 72.209999999999994 109.322 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.774 HD11 ' HE2' ' A' ' 397' ' ' PHE . 41.3 mt -89.48 101.41 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 63.340000000000003 109.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 427' ' ' PHE . 2.3 mm? -79.81 122.71 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.299999999999997 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.5 p80 -157.32 165.14 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.618 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.69 -162.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.150000000000006 109.277 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.12 -11.54 21.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 75.150000000000006 110.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.52 16.63 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.708 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.3 OUTLIER -123.89 26.44 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.5 109.264 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 22.4 tt0 -66.89 -76.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 110.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 408' ' ' ILE . 8.5 p-80 -38.34 -31.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 71.129999999999995 109.536 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 407' ' ' HIS . 22.8 mt -63.65 -57.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.310000000000002 109.35 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -63.45 -50.43 69.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.019999999999996 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.4 mt -49.55 -24.96 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.439999999999998 109.379 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -80.35 -33.13 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 62.200000000000003 110.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.7 t -74.12 -54.27 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 62.549999999999997 109.262 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.466 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 8.5 mtm180 -36.56 -49.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 61.020000000000003 110.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 415' ' ' LYS . 95.0 mt-10 -66.53 -59.01 4.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 54.439999999999998 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.69 -50.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 75.140000000000001 109.298 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 97.0 mt -48.92 -57.3 6.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 74.420000000000002 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 34.2 mt-10 -38.52 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 63.32 110.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -66.02 -54.5 25.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.48 1.112 . . . . 51.299999999999997 109.358 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.855 HD13 HG11 ' A' ' 524' ' ' VAL . 1.9 mt -65.91 -45.72 80.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 62.219999999999999 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.63 -71.75 0.13 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.444 1.09 . . . . 70.219999999999999 110.936 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.62 137.53 1.08 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 71.040000000000006 109.297 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' A' ' 417' ' ' GLU . 18.2 Cg_endo -74.91 -167.9 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 73.420000000000002 111.04 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.503 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -55.11 -45.49 75.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.329 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.713 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.22 -94.93 1.81 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 52.329999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.76 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 71.519999999999996 109.262 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 7.1 p -151.82 142.9 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 54.539999999999999 110.393 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.991 ' CE2' HD13 ' A' ' 439' ' ' LEU . 3.3 m-30 -116.14 146.16 42.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.319999999999993 110.953 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 28.4 p -139.25 109.08 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 63.420000000000002 108.421 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -41.13 143.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 72.340000000000003 110.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -42.8 113.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 61.100000000000001 109.332 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.45 75.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 72.230000000000004 110.933 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 61.09 14.91 5.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 74.400000000000006 110.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 -176.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 74.430000000000007 109.232 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' HIS . . . . . 0.554 ' CE1' ' HG2' ' A' ' 438' ' ' GLU . 18.2 p80 -57.59 -44.87 85.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 62.219999999999999 109.543 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -179.55 -165.85 34.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.58 1.175 . . . . 72.219999999999999 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.88 11.3 18.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 0.806 . . . . 55.149999999999999 110.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -82.07 6.88 65.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 40.399999999999999 110.952 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 434' ' ' HIS . 22.9 mt-10 -65.41 -61.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 75.140000000000001 110.352 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.991 HD13 ' CE2' ' A' ' 427' ' ' PHE . 2.4 pp -134.01 142.14 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 60.32 109.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.69 -71.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.409999999999997 110.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.515 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.6 p -161.85 155.38 21.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 55.219999999999999 108.357 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.903 HD13 ' N ' ' A' ' 443' ' ' GLN . 0.0 OUTLIER -58.4 -34.04 70.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 65.439999999999998 109.351 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.903 ' N ' HD13 ' A' ' 442' ' ' LEU . 21.2 pt20 -73.9 -14.64 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 62.420000000000002 110.361 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 23.3 t70 -60.99 -15.41 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 74.510000000000005 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 72.219999999999999 109.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.46 HG22 ' OE1' ' A' ' 480' ' ' GLN . 6.2 mt -56.61 -31.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 74.329999999999998 109.368 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.588 ' OD2' ' CE1' ' A' ' 448' ' ' HIS . 4.8 p-10 -96.77 -56.73 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.230000000000004 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.588 ' CE1' ' OD2' ' A' ' 447' ' ' ASP . 1.6 m-70 -60.87 -62.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 109.591 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 445' ' ' ALA . 1.1 p -71.31 157.68 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 64.439999999999998 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 533' ' ' LEU . . . -71.85 -78.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 53.409999999999997 109.255 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.2 m-85 -116.38 129.1 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 72.109999999999999 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 398' ' ' VAL . 27.4 mm -69.17 129.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 397' ' ' PHE . 2.9 mt -106.96 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.526 HD12 ' CB ' ' A' ' 465' ' ' SER . 2.6 mm? -102.93 104.85 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 457' ' ' THR . 8.6 tp -69.85 86.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 73.409999999999997 109.323 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 488' ' ' PRO . 7.8 mt -65.57 92.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 63.310000000000002 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.708 HG21 ' OD2' ' A' ' 405' ' ' ASP . 16.5 p -129.96 145.2 51.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 110.37 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 82.1 p -56.87 -18.11 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.129999999999995 109.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -86.31 -25.75 25.28 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 62.210000000000001 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 49.3 t80 -107.38 172.59 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 63.439999999999998 110.995 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -115.4 141.26 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.662 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.4 m -92.09 -54.85 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 31.34 108.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.3 OUTLIER -38.64 -57.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.209999999999994 110.37 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.437 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 1.4 tm? -44.67 -65.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.030000000000001 109.313 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.526 ' CB ' HD12 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.0 -62.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 53.310000000000002 109.9 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.3 OUTLIER -51.66 -23.08 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.321 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 463' ' ' ARG . 0.2 OUTLIER -86.57 -28.96 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 71.019999999999996 109.582 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 465' ' ' SER . 9.0 mt-30 -83.06 -62.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 62.530000000000001 110.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.3 p -42.12 -43.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.499 ' OD1' HD22 ' A' ' 466' ' ' LEU . 3.0 m120 -61.45 -67.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 1.184 . . . . 72.319999999999993 109.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.0 mm100 -38.63 -46.46 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 54.009999999999998 110.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -61.96 -51.69 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 44.149999999999999 109.355 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.492 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 4.4 mtt -51.5 -68.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 111.056 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.785 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -55.59 -17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 74.129999999999995 110.934 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 4.4 m -84.49 -27.24 27.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 54.310000000000002 109.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 48.7 t30 -137.81 86.88 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 54.340000000000003 109.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.785 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.6 mt -111.03 -20.71 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.109999999999999 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.4 t -77.01 0.8 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 61.439999999999998 110.389 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 7.6 mmt85 -103.2 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 110.324 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.46 ' OE1' HG22 ' A' ' 446' ' ' ILE . 5.8 pt20 -116.7 -35.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 75.099999999999994 110.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 42.26 54.56 4.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 53.520000000000003 110.975 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 4.7 m -113.13 94.76 31.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.120000000000005 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.478 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -75.01 1.17 8.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.55 1.816 . . . . 70.230000000000004 111.042 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.57 26.58 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 63.210000000000001 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.446 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 32.0 p -107.01 24.41 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 65.209999999999994 108.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 1.029 ' O ' HD13 ' A' ' 487' ' ' ILE . 4.4 t -111.12 124.82 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.219999999999999 109.365 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 1.029 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.0 mm -137.55 94.89 11.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.200000000000003 109.224 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.659 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 100.9 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 74.230000000000004 110.993 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 454' ' ' LEU . 6.1 t80 -78.06 168.49 19.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 61.049999999999997 110.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -151.31 100.42 2.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 54.200000000000003 109.346 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -74.93 147.57 34.43 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.405 1.74 . . . . 72.340000000000003 111.038 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.4 mp -53.65 -39.18 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 73.140000000000001 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.94 -28.6 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.439999999999998 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -114.91 177.74 4.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 71.340000000000003 110.049 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.39 159.33 42.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 54.119999999999997 110.061 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.658 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.96 -25.9 11.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 72.439999999999998 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -68.4 -22.62 64.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 54.420000000000002 109.241 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 5.0 mt-30 -77.14 -10.37 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.662 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.5 mt -96.88 160.29 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 109.294 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 158.73 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.591 1.182 . . . . 42.119999999999997 110.02 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 12.4 t -67.79 -10.14 50.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 42.350000000000001 109.944 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 505' ' ' SER . 27.1 m-20 -80.82 -37.34 30.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.379 1.049 . . . . 74.439999999999998 109.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 507' ' ' LEU . 19.5 m -41.35 -53.31 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 72.140000000000001 110.385 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.11 -39.99 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 75.019999999999996 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 502' ' ' ASP . 67.2 m -79.07 -27.17 43.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 64.019999999999996 110.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.7 mt -66.44 -26.45 67.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.483 1.114 . . . . 74.030000000000001 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.83 24.77 7.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 73.409999999999997 109.292 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -31.73 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.088 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -104.94 -29.38 5.25 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 61.420000000000002 110.944 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.85 -178.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 72.140000000000001 109.294 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.2 t -119.7 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 72.319999999999993 109.323 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 507' ' ' LEU . 12.4 ttp180 -53.68 105.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 71.049999999999997 110.281 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.571 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.8 tp -83.55 130.34 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 54.530000000000001 109.342 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.54 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 14.6 m-20 -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.42 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 19.8 tp10 -114.91 -13.15 11.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.147 . . . . 74.239999999999995 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.453 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -97.12 -18.91 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 64.510000000000005 109.59 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.83 134.41 46.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 110.052 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.13 4.06 21.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 64.420000000000002 110.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.734 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.17 -25.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.296 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.0 t80 -40.16 -35.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 73.400000000000006 111.049 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.75 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.73 -47.35 73.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.265 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.705 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.46 -19.0 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 64.209999999999994 110.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.734 ' CD ' HD11 ' A' ' 519' ' ' ILE . 18.1 mmmt -75.19 -44.37 46.92 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 63.340000000000003 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -72.78 -40.53 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.378 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.66 -3.13 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 72.25 109.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -97.77 -33.96 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 73.439999999999998 109.296 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.7 t -100.99 -54.55 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 52.0 m-85 -84.91 56.76 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 111.049 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.9 mttt -72.03 154.57 92.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -10.59 21.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 64.099999999999994 110.965 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.56 -12.0 21.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 65.129999999999995 109.557 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 536' ' ' ARG . 19.3 mmt180 -97.62 -42.32 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 74.310000000000002 110.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.7 mm? -47.89 -37.42 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.035 . . . . 73.209999999999994 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -84.48 -46.33 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.329999999999998 110.306 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.819 ' HA ' ' HB3' ' A' ' 538' ' ' ALA . . . -61.3 -15.22 33.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 44.310000000000002 109.292 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.581 ' HA ' ' HE2' ' A' ' 539' ' ' MET . 8.8 mmt180 -61.91 -43.14 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 65.439999999999998 110.32 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -97.23 -6.15 35.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 75.239999999999995 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.819 ' HB3' ' HA ' ' A' ' 535' ' ' ALA . . . -84.9 -25.23 28.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 60.009999999999998 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.581 ' HE2' ' HA ' ' A' ' 536' ' ' ARG . 0.9 OUTLIER -78.44 -29.05 46.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 110.993 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.423 ' CE3' ' NH2' ' A' ' 541' ' ' ARG . 10.0 t90 -62.78 -24.61 67.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 73.230000000000004 107.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.423 ' NH2' ' CE3' ' A' ' 540' ' ' TRP . 0.0 OUTLIER -71.83 -12.85 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 73.209999999999994 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.458 ' HD3' ' CA ' ' A' ' 539' ' ' MET . 29.8 mtpt -64.29 -50.48 67.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 53.32 109.292 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 544' ' ' GLN . 4.7 pt-20 -53.07 -47.95 68.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 34.100000000000001 110.245 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 543' ' ' GLU . 0.6 OUTLIER -68.92 -34.46 75.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 74.109999999999999 110.316 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 61.420000000000002 109.325 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.454 0.169 . . . . 62.240000000000002 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -87.2 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 63.520000000000003 110.36 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.4 t -92.2 15.02 14.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 64.239999999999995 110.002 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.8 m -130.33 18.36 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 109.991 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.0 t -84.6 108.1 17.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.069 . . . . 53.439999999999998 110.002 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.34 178.67 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 73.340000000000003 110.296 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -151.36 152.24 32.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 64.200000000000003 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.472 ' HZ3' ' HB2' ' A' ' 393' ' ' LYS . 0.9 OUTLIER -84.72 122.87 29.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 75.530000000000001 109.293 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -149.99 168.56 23.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.436 1.085 . . . . 61.119999999999997 111.127 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 425' ' ' ALA . 14.4 m-85 -124.05 147.76 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 74.340000000000003 111.002 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.774 ' OD1' HD13 ' A' ' 533' ' ' LEU . 21.3 m-80 -113.36 -12.84 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 75.239999999999995 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.925 ' CD2' HD12 ' A' ' 453' ' ' ILE . 18.7 p90 -172.16 127.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.989 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.947 HG12 HG23 ' A' ' 452' ' ' ILE . 2.7 p -89.33 107.28 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 70.5 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.721 HD11 ' HE2' ' A' ' 397' ' ' PHE . 77.1 mt -74.22 98.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 62.450000000000003 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 427' ' ' PHE . 1.6 mt -80.88 103.89 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 75.420000000000002 109.361 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.606 ' CB ' HD23 ' A' ' 455' ' ' LEU . 18.2 p80 -136.61 172.45 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 62.43 109.534 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -66.9 -161.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.372 1.045 . . . . 72.530000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -27.42 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 72.430000000000007 110.349 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -95.6 16.84 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 35.229999999999997 109.323 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.4 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.6 OUTLIER -121.42 27.69 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 62.32 109.24 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.0 tt0 -65.59 -75.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 408' ' ' ILE . 9.9 p-80 -38.02 -36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.622 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.521 HG13 ' CE1' ' A' ' 407' ' ' HIS . 41.8 mt -58.26 -60.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.399 1.062 . . . . 75.420000000000002 109.259 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -60.65 -51.87 67.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 61.219999999999999 109.341 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -50.32 -27.76 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 71.420000000000002 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -78.23 -31.31 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 73.420000000000002 110.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -76.27 -55.14 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 64.209999999999994 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -34.57 -49.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 71.450000000000003 110.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 415' ' ' LYS . 68.0 mm-40 -68.15 -58.45 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 70.109999999999999 110.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -39.9 -56.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 73.200000000000003 109.233 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.95 ' HB3' HG13 ' A' ' 421' ' ' VAL . 46.0 mt -39.32 -56.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.209999999999994 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' LEU . 17.3 mt-10 -36.8 -49.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 54.109999999999999 110.415 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -47.72 -48.25 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 109.386 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 521' ' ' ALA . 3.6 mt -71.52 -46.03 60.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 61.409999999999997 109.315 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 166.87 -72.57 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 61.329999999999998 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.95 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.37 137.02 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.408 0.711 . . . . 74.420000000000002 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.01 -169.13 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.53 1.805 . . . . 51.530000000000001 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.514 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -53.72 -46.51 70.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 65.329999999999998 109.325 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.77 -94.34 1.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 54.299999999999997 111.044 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.72 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.737 . . . . 53.210000000000001 109.4 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.6 p -146.61 168.39 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 54.340000000000003 110.356 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.776 ' CE2' HD23 ' A' ' 442' ' ' LEU . 11.3 t80 -154.36 140.6 18.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 73.310000000000002 111.02 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.01 159.95 16.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 65.450000000000003 108.28 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -45.12 169.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 61.140000000000001 110.362 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -110.88 20.4 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 73.430000000000007 109.3 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 431' ' ' PHE . 67.6 t80 -122.78 18.02 10.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 71.5 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -127.89 -43.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 73.420000000000002 110.275 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 12.0 m -75.67 165.61 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.538 1.149 . . . . 75.140000000000001 109.39 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' HIS . . . . . 0.592 ' CE1' ' OE2' ' A' ' 438' ' ' GLU . 6.5 p80 -65.57 -48.77 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 109.562 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' GLY . . . . . 0.439 ' O ' ' NH2' ' A' ' 436' ' ' ARG . . . 77.38 63.0 2.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 71.25 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 435' ' ' GLY . 14.2 mmp_? -116.64 41.1 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 72.25 110.318 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 83.48 63.19 1.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 64.209999999999994 111.036 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' GLU . . . . . 0.592 ' OE2' ' CE1' ' A' ' 434' ' ' HIS . 34.4 mt-10 -93.01 -44.43 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 71.420000000000002 110.23 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 441' ' ' CYS . 2.0 pp -133.44 156.59 47.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 53.130000000000003 109.312 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 10.3 t -48.87 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 73.450000000000003 110.05 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.716 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.3 t -159.73 146.85 16.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 60.119999999999997 108.323 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.996 ' O ' HD22 ' A' ' 442' ' ' LEU . 0.1 OUTLIER -59.52 -38.09 80.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 70.049999999999997 109.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.56 ' O ' HG22 ' A' ' 446' ' ' ILE . 25.7 mt-30 -81.09 -5.6 57.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.219999999999999 110.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.4 t70 -76.01 -11.7 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 73.239999999999995 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.631 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -83.88 -18.69 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 42.229999999999997 109.233 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 452' ' ' ILE . 0.8 OUTLIER -76.29 -28.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.329 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.484 ' CB ' ' OE1' ' A' ' 480' ' ' GLN . 0.7 OUTLIER -104.07 -31.15 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 74.019999999999996 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 43.0 t-80 -91.2 21.34 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 75.150000000000006 109.595 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.56 146.83 13.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.239999999999995 109.966 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -50.26 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 73.239999999999995 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -127.32 138.4 53.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 73.209999999999994 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.947 HG23 HG12 ' A' ' 398' ' ' VAL . 21.6 mm -74.74 130.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 70.120000000000005 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.925 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.3 mt -107.64 110.56 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.169 . . . . 73.049999999999997 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.928 HD12 ' CB ' ' A' ' 465' ' ' SER . 1.8 mm? -89.48 101.93 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 62.109999999999999 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.606 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.5 tp -67.3 81.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 507' ' ' LEU . 9.4 mt -64.16 91.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 54.539999999999999 109.377 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 81.6 p -127.88 154.32 45.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 44.399999999999999 110.439 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.3 m -62.29 -14.82 43.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 65.230000000000004 109.904 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.709 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.1 m-20 -92.41 -15.46 27.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 75.019999999999996 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 465' ' ' SER . 26.5 t80 -113.25 174.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.299999999999997 111.043 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 3.0 m-20 -121.09 138.36 54.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.019999999999996 109.314 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.6 m -94.0 -48.33 6.3 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 62.109999999999999 108.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.3 mtt85 -47.05 -24.28 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 75.239999999999995 110.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.7 tm? -88.55 -70.44 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.928 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.1 p -48.27 -58.56 4.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 60.130000000000003 110.02 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 466' ' ' LEU . 2.5 tm? -51.36 -22.54 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 72.239999999999995 109.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -92.97 -26.05 17.72 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.43 1.081 . . . . 63.219999999999999 109.571 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.73 ' HB3' HD11 ' A' ' 442' ' ' LEU . 12.4 mt-30 -85.47 -10.41 56.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 75.319999999999993 110.288 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 470' ' ' ASN . 7.8 p -99.31 -52.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 65.109999999999999 109.377 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.543 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.8 m120 -48.41 -43.57 34.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 64.239999999999995 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 475' ' ' SER . 23.7 mm-40 -69.94 -39.88 75.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 73.109999999999999 110.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.611 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -54.87 -19.95 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.479 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.8 mtt -88.19 -66.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 60.310000000000002 110.937 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.469 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.7 ptm -61.73 -12.49 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 72.150000000000006 110.883 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 20.1 t -95.92 -13.86 23.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.164 . . . . 62.130000000000003 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 50.3 t30 -148.9 86.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 64.540000000000006 109.26 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 473' ' ' MET . 6.8 mt -110.96 -20.45 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.129999999999995 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.8 t -77.28 0.87 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 63.229999999999997 110.371 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 4.9 mmm180 -103.34 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 74.310000000000002 110.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.484 ' OE1' ' CB ' ' A' ' 447' ' ' ASP . 5.4 pm0 -115.2 -31.63 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.120000000000005 110.245 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 50.5 53.93 22.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 72.030000000000001 111.02 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 97.3 p -113.21 94.8 32.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 62.450000000000003 109.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.98 8.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 74.239999999999995 110.973 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.15 43.61 2.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 61.240000000000002 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 446' ' ' ILE . 27.0 p -111.12 36.48 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 108.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.866 ' HB ' HD22 ' A' ' 510' ' ' LEU . 2.3 t -119.69 121.69 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 61.450000000000003 109.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.635 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 4.8 mm -131.65 90.04 37.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 109.261 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.594 ' HG3' HD12 ' A' ' 510' ' ' LEU . 18.7 Cg_endo -74.89 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.424 1.749 . . . . 52.219999999999999 111.065 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.9 t80 -77.82 168.86 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 495' ' ' SER . 1.0 OUTLIER -148.54 98.86 3.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 71.310000000000002 109.319 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.11 168.42 24.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 71.239999999999995 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.4 mp -74.71 -26.13 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.5 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.416 ' CB ' HD11 ' A' ' 408' ' ' ILE . 4.2 mm-40 -63.72 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 110.39 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 21.3 m -121.82 178.53 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 42.240000000000002 109.96 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.31 163.65 27.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 61.439999999999998 110.049 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.442 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.02 -31.92 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 74.519999999999996 111.022 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.06 69.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 30.309999999999999 109.386 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -7.41 51.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.317 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 503' ' ' THR . 9.6 mt -98.32 163.19 12.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 64.150000000000006 109.304 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.85 159.01 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.02 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -68.88 -12.73 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 73.129999999999995 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -86.69 -36.21 18.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 72.239999999999995 109.317 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.852 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -43.47 -26.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 71.239999999999995 110.454 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -68.38 -48.48 64.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 65.209999999999994 109.247 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 502' ' ' ASP . 12.4 t -75.41 -19.19 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 55.549999999999997 110.01 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 503' ' ' THR . 19.0 mt -76.29 -28.5 57.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.195 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 456' ' ' LEU . 3.9 pp -112.89 15.0 19.87 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.563 1.165 . . . . 64.049999999999997 109.258 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.61 98.03 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 73.409999999999997 110.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 132.05 -12.72 5.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 72.5 111.016 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.866 HD22 ' HB ' ' A' ' 486' ' ' VAL . 7.8 mt -90.03 171.81 9.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 62.140000000000001 109.245 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 511' ' ' VAL . 25.1 t -108.05 85.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 72.040000000000006 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 17.4 ttp180 -71.36 129.13 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 65.319999999999993 110.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.635 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -100.73 169.88 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.510000000000005 109.329 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -140.8 137.69 33.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.310000000000002 109.248 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 11.0 tp10 -93.23 5.62 50.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 61.039999999999999 110.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.439 ' NE2' ' OD1' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -127.87 15.56 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 65.219999999999999 109.614 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 517' ' ' SER . . . . . 0.425 ' OG ' HG23 ' A' ' 519' ' ' ILE . 8.1 t -104.69 152.42 22.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.019999999999996 110.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.0 -1.59 48.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 63.420000000000002 110.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.793 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.99 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.775 ' CE2' HD11 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -40.61 -33.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.91 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -58.07 -46.8 84.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 51.43 109.386 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.23 -22.75 60.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 75.230000000000004 110.365 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.793 ' CD ' HD11 ' A' ' 519' ' ' ILE . 26.4 mmmt -71.65 -52.49 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.668 HG11 HD13 ' A' ' 419' ' ' LEU . 0.9 OUTLIER -64.7 -38.12 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.643 1.214 . . . . 71.340000000000003 109.343 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.15 -2.89 29.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 65.540000000000006 109.366 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -102.54 -35.27 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 75.219999999999999 109.255 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 1.0 OUTLIER -95.76 -52.89 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 110.405 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 453' ' ' ILE . 37.0 m-85 -89.23 41.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 53.100000000000001 111.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.67 ' O ' HD23 ' A' ' 533' ' ' LEU . 30.6 mttt -40.79 160.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.226 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 75.200000000000003 111.054 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.2 OUTLIER -52.91 -20.9 3.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 64.430000000000007 109.614 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.64 -35.55 17.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 110.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.774 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.4 OUTLIER -69.23 -52.59 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 109.33 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.74 -51.43 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 73.239999999999995 110.306 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -55.03 -19.85 7.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 64.040000000000006 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.463 ' O ' ' CE ' ' A' ' 539' ' ' MET . 3.4 tpp180 -68.42 -35.38 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 65.140000000000001 110.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.548 ' O ' ' CE3' ' A' ' 540' ' ' TRP . 10.8 mmmt -96.93 -23.26 16.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.445 1.09 . . . . 71.430000000000007 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 535' ' ' ALA . . . -54.79 -20.46 8.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.25 109.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 66.0 mtm -62.25 -32.31 72.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 65.040000000000006 111.033 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 540' ' ' TRP . 0.0 OUTLIER -54.17 -22.77 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.120000000000005 107.979 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 538' ' ' ALA . 3.5 ptt-85 -64.96 -36.38 84.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.140000000000001 110.305 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.405 ' HD3' ' NH1' ' A' ' 541' ' ' ARG . 11.7 mmmm -56.55 -45.59 81.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 75.430000000000007 109.378 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -33.95 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 51.439999999999998 110.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -68.48 -22.8 64.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 62.329999999999998 110.285 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.129999999999995 109.302 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.468 0.175 . . . . 64.420000000000002 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -110.66 87.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 61.25 110.264 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 35.2 m -85.73 10.25 14.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 75.530000000000001 109.979 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.6 p -127.5 18.75 6.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 54.210000000000001 109.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 5.1 t -155.16 103.96 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 1.189 . . . . 63.140000000000001 110.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -90.42 -174.27 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 392' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 393' ' ' LYS . 18.6 tm0? -42.97 164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 73.329999999999998 110.256 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 393' ' ' LYS . 0.4 OUTLIER -85.28 124.2 31.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 65.439999999999998 109.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -159.38 169.34 24.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 64.549999999999997 111.008 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -113.51 132.6 55.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 65.450000000000003 111.028 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 533' ' ' LEU . 2.1 m120 -113.78 -11.35 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 65.400000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.886 ' CD2' HD12 ' A' ' 453' ' ' ILE . 9.8 p90 -173.1 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.219999999999999 110.923 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.938 HG12 HG23 ' A' ' 452' ' ' ILE . 2.5 p -95.2 113.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.812 HD11 ' HE2' ' A' ' 397' ' ' PHE . 68.0 mt -85.47 103.13 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.0 mt -79.1 129.39 34.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 63.549999999999997 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 409' ' ' ALA . 2.1 p80 -166.02 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.624 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.642 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.98 155.49 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 109.327 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -15.87 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.129999999999995 110.283 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -97.06 17.27 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.642 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 30.8 m-20 -138.94 22.46 2.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 72.209999999999994 109.307 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 20.3 tt0 -65.53 -71.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 406' ' ' GLU . 16.1 p-80 -37.06 -36.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 72.140000000000001 109.572 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 493' ' ' GLU . 36.2 mt -59.9 -60.94 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 70.219999999999999 109.272 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.536 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -58.1 -51.52 69.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 53.350000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.6 mt -48.72 -28.01 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 109.236 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -77.16 -33.49 56.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 110.33 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.9 t -75.0 -53.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.09 -48.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 73.319999999999993 110.254 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 58.2 mt-10 -68.85 -59.78 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.420000000000002 110.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -55.23 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 71.209999999999994 109.276 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 96.0 mt -41.01 -56.61 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.296 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 7.3 mt-10 -35.78 -42.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.26 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -52.58 -54.44 32.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 524' ' ' VAL . 1.6 mt -65.98 -45.73 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 61.439999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.78 -69.95 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.34 137.72 0.98 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.448 0.734 . . . . 73.430000000000007 109.288 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.08 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.396 1.735 . . . . 75.310000000000002 110.974 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.496 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.2 p-10 -58.86 -44.68 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 64.319999999999993 109.268 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.08 -94.56 1.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 55.409999999999997 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.11 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.593 0.82 . . . . 61.200000000000003 109.226 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 7.3 p -149.47 146.81 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.357 1.036 . . . . 64.420000000000002 110.4 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.758 ' CZ ' HD21 ' A' ' 439' ' ' LEU . 0.6 OUTLIER -116.4 92.18 3.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 63.229999999999997 111.033 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 401' ' ' HIS . 15.6 p -126.18 167.16 15.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 108.333 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.01 161.91 27.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 73.030000000000001 110.282 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -41.71 116.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 75.409999999999997 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 431' ' ' PHE . . . . . 0.798 ' CZ ' HG11 ' A' ' 433' ' ' VAL . 36.3 p90 -109.43 73.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 74.439999999999998 111.091 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 64.83 16.68 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 72.510000000000005 110.313 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.798 HG11 ' CZ ' ' A' ' 431' ' ' PHE . 18.4 m -90.68 -179.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 63.140000000000001 109.252 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' HIS . . . . . 0.543 ' CE1' ' HG2' ' A' ' 438' ' ' GLU . 17.8 p80 -56.47 -48.06 77.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.129999999999995 109.633 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -160.77 164.55 34.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.606 1.191 . . . . 61.240000000000002 110.972 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -0.99 22.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 0.771 . . . . 64.109999999999999 110.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -100.94 67.23 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 70.0 111.05 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 434' ' ' HIS . 31.5 mt-10 -98.85 -75.08 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 0.697 . . . . 74.450000000000003 110.278 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.758 HD21 ' CZ ' ' A' ' 427' ' ' PHE . 0.0 OUTLIER -53.63 -173.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 75.030000000000001 109.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.651 ' N ' HD22 ' A' ' 439' ' ' LEU . 2.6 t -90.12 -70.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 74.109999999999999 109.955 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.567 ' N ' HD22 ' A' ' 439' ' ' LEU . 4.2 m -160.64 -174.15 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 75.209999999999994 108.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 468' ' ' GLN . 2.1 pp -86.5 -41.87 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.216 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.455 ' CB ' ' CB ' ' A' ' 472' ' ' ALA . 15.4 pt20 -72.39 -24.09 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 70.219999999999999 110.303 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.7 m-20 -61.61 -20.2 63.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.556 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -85.24 -35.37 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 72.010000000000005 109.321 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 469' ' ' VAL . 3.6 mt -62.82 -23.96 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -102.53 -57.72 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 75.140000000000001 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 15.8 m170 -64.71 -54.81 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.409999999999997 109.573 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.418 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -79.99 154.12 28.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 74.450000000000003 109.994 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -65.95 -75.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 62.140000000000001 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.568 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 5.0 m-85 -124.74 136.89 54.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.988 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.938 HG23 HG12 ' A' ' 398' ' ' VAL . 17.7 mm -76.56 131.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.067 . . . . 62.310000000000002 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.886 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.7 mt -107.05 122.3 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 109.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 465' ' ' SER . 2.2 mt -99.99 100.03 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.209999999999994 109.248 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -64.85 82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.372 1.045 . . . . 74.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' ' 499' ' ' LEU . 8.6 mt -62.24 90.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 75.099999999999994 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 455' ' ' LEU . 43.3 p -124.43 152.22 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 71.530000000000001 110.416 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 34.9 t -61.79 -13.84 27.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.29 -22.61 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 75.120000000000005 109.264 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.2 t80 -102.82 167.49 9.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 62.329999999999998 111.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -112.61 133.5 54.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 75.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.582 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.6 m -78.93 -60.69 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 108.24 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 1.7 mmm180 -39.64 -31.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 75.150000000000006 110.288 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -65.83 -71.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 72.450000000000003 109.328 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 454' ' ' LEU . 6.9 p -39.16 -61.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.976 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.8 tm? -51.78 -40.06 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 74.319999999999993 109.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 464' ' ' LEU . 19.6 t60 -69.69 -24.29 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.61 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.584 ' HB3' HD22 ' A' ' 442' ' ' LEU . 5.7 mt-30 -85.64 -71.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 110.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 446' ' ' ILE . 13.2 p -40.3 -39.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 63.539999999999999 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.7 m120 -51.61 -66.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.439999999999998 109.274 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 475' ' ' SER . 14.8 mt-30 -42.16 -46.26 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.378 1.049 . . . . 60.240000000000002 110.259 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.672 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -58.58 -44.0 89.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.420000000000002 109.293 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 9.5 mtt -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 61.149999999999999 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.403 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.9 OUTLIER -66.06 -9.1 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 110.98 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 2.9 t -77.86 -52.51 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 54.409999999999997 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.655 ' N ' HD21 ' A' ' 476' ' ' ASN . 0.0 OUTLIER -137.63 91.75 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 44.399999999999999 109.304 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 473' ' ' MET . 16.1 mt -87.82 -40.41 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 72.25 109.295 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.0 t -60.91 -14.13 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 74.530000000000001 110.401 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.12 -78.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 52.310000000000002 110.349 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -113.93 -30.83 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 110.263 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 480' ' ' GLN . . . 36.94 51.19 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 54.130000000000003 110.975 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.9 m -113.03 94.93 32.38 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 73.310000000000002 110.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.488 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.09 0.33 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.668 1.878 . . . . 62.450000000000003 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.88 16.21 21.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.397 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.448 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 24.1 p -94.64 27.35 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 108.369 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.57 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.3 t -118.92 112.07 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 63.350000000000001 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.714 HG22 HD22 ' A' ' 513' ' ' LEU . 3.3 mm -127.17 95.81 35.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.1 Cg_endo -74.98 102.05 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 63.509999999999998 110.975 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.622 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -78.02 159.72 28.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 71.450000000000003 111.019 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -139.37 97.73 8.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 65.109999999999999 109.23 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.645 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 145.84 31.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 72.109999999999999 110.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.686 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.5 mt -58.4 -17.17 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 72.099999999999994 109.292 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.523 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.4 mm-40 -71.37 -28.14 63.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 63.210000000000001 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 15.2 m -122.03 -176.31 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.020000000000003 109.933 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.04 163.13 30.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 61.130000000000003 109.955 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -30.14 7.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 73.109999999999999 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.2 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 64.299999999999997 109.331 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.2 mt-30 -69.52 -10.15 56.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.072 . . . . 74.040000000000006 110.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 456' ' ' LEU . 4.8 mt -100.69 167.22 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 54.109999999999999 109.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 29.2 m -68.82 159.03 33.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 75.549999999999997 110.077 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 42.0 t -69.81 -12.02 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.379 1.05 . . . . 71.040000000000006 110.027 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 505' ' ' SER . 11.3 m-20 -82.53 -35.67 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.048 . . . . 64.430000000000007 109.245 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.883 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.9 m -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 71.540000000000006 110.406 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.39 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 34.119999999999997 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 502' ' ' ASP . 14.6 t -74.95 -23.0 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 503' ' ' THR . 33.0 mt -69.42 -35.81 76.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 54.43 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.28 19.41 18.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 72.019999999999996 109.327 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.3 t -59.37 103.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 73.040000000000006 109.937 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.88 -24.17 10.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.219999999999999 110.963 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.22 -175.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 74.209999999999994 109.238 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.467 HG13 ' HE2' ' A' ' 523' ' ' LYS . 5.8 t -123.02 106.99 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 61.439999999999998 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 9.1 ttp-105 -78.55 132.02 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 54.539999999999999 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.714 HD22 HG22 ' A' ' 487' ' ' ILE . 0.2 OUTLIER -100.68 146.52 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.1 m-20 -145.61 131.37 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 60.439999999999998 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.561 ' HB2' HD21 ' A' ' 492' ' ' LEU . 1.1 mt-10 -73.84 -3.4 28.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 110.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.686 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.3 p-80 -120.88 45.16 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.129999999999995 109.508 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t -136.37 126.05 25.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 70.010000000000005 109.97 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -74.72 -2.01 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 64.319999999999993 110.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.61 -28.37 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.225 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 0.2 OUTLIER -39.21 -36.83 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.020000000000003 111.04 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.34 -47.65 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.109999999999999 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -72.32 -23.02 61.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.140000000000001 110.308 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.772 ' CD ' HD11 ' A' ' 519' ' ' ILE . 23.2 mmmt -70.82 -44.62 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 109.294 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 419' ' ' LEU . 2.1 p -76.1 -43.22 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 61.509999999999998 109.318 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.83 -9.77 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.420000000000002 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.3 m-20 -85.12 -53.8 5.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 63.310000000000002 109.25 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 528' ' ' PHE . 11.8 t -79.14 -53.7 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 61.539999999999999 110.363 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 453' ' ' ILE . 56.9 m-85 -86.67 59.02 5.39 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.575 1.172 . . . . 74.140000000000001 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.519 ' O ' HD23 ' A' ' 533' ' ' LEU . 56.2 mttt -69.54 153.75 95.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.062 . . . . 32.43 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.98 9.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 73.019999999999996 110.986 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.402 ' HA ' ' NE2' ' A' ' 534' ' ' GLN . 1.6 p-80 -71.5 -11.11 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.349999999999994 109.649 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 536' ' ' ARG . 14.3 mmt180 -101.99 -52.5 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 110.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.584 HD12 ' OD1' ' A' ' 396' ' ' ASN . 2.5 mm? -42.39 -35.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 71.140000000000001 109.325 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 531' ' ' HIS . 3.1 pt20 -84.82 -39.13 18.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 110.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' A' ' 538' ' ' ALA . . . -71.86 -6.64 43.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 536' ' ' ARG . 7.2 mmm-85 -66.78 -37.26 84.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 73.129999999999995 110.331 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 540' ' ' TRP . 37.6 pttt -97.42 -18.4 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 71.439999999999998 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 535' ' ' ALA . . . -40.55 -34.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.209999999999994 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -70.65 -49.45 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 71.030000000000001 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' LYS . 18.0 m0 -44.51 -46.54 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 70.019999999999996 107.972 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -38.79 -45.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 74.150000000000006 110.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -81.23 -44.84 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 71.430000000000007 109.323 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -52.85 -20.47 3.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -87.64 -38.59 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 54.340000000000003 110.344 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.239999999999995 109.337 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.384 0.135 . . . . 63.539999999999999 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -63.63 161.1 15.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 74.549999999999997 110.298 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.1 m -101.59 45.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 42.32 109.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.9 t 70.26 51.6 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 73.200000000000003 109.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 22.7 t -59.28 111.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 70.219999999999999 110.043 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -87.67 -171.1 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 110.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -143.52 156.05 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 74.540000000000006 110.253 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -148.41 141.14 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 109.243 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.8 153.31 18.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 64.530000000000001 110.984 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 17.6 m-85 -132.72 171.07 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 72.140000000000001 110.982 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 533' ' ' LEU . 2.2 m-80 -122.42 -0.35 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.140000000000001 109.225 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.849 ' CE2' HD12 ' A' ' 416' ' ' LEU . 9.7 p90 -178.78 166.96 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 110.984 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 427' ' ' PHE . 2.5 t -130.35 100.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 71.420000000000002 109.266 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 397' ' ' PHE . 68.4 mt -76.58 96.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 73.310000000000002 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.917 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -76.28 116.36 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 63.25 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.545 ' CB ' HD23 ' A' ' 455' ' ' LEU . 19.4 p80 -146.85 175.01 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.200000000000003 109.587 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -71.49 -163.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -13.12 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 33.340000000000003 110.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 16.71 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -123.6 30.63 6.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 61.420000000000002 109.264 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.523 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.3 tt0 -67.07 -76.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 110.301 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.535 ' CE1' HG13 ' A' ' 408' ' ' ILE . 5.7 p-80 -37.26 -42.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 109.622 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.535 HG13 ' CE1' ' A' ' 407' ' ' HIS . 69.7 mt -55.16 -58.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.200000000000003 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.99 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 74.5 109.251 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 406' ' ' GLU . 10.0 mp -60.21 -15.52 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 109.261 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -78.62 -23.96 45.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 71.120000000000005 110.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.8 t -90.1 -53.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 72.409999999999997 109.381 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.471 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 7.4 mtm180 -35.69 -40.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.567 1.167 . . . . 71.530000000000001 110.322 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.97 -53.15 11.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.430000000000007 110.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 412' ' ' VAL . 0.4 OUTLIER -53.97 -24.79 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 65.109999999999999 109.306 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.974 ' HB3' HG13 ' A' ' 421' ' ' VAL . 9.0 mt -69.7 -33.87 73.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 55.219999999999999 109.34 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.06 -8.12 54.97 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 42.240000000000002 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -96.49 -3.11 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 50.049999999999997 109.287 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.695 HD13 HG11 ' A' ' 524' ' ' VAL . 3.7 mt -118.49 -42.19 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 72.219999999999999 109.306 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 166.98 -65.6 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.575 1.172 . . . . 73.120000000000005 111.015 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.974 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.2 p -52.14 143.04 26.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.386 0.698 . . . . 65.299999999999997 109.369 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.94 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 72.340000000000003 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.9 OUTLIER -71.4 -17.04 62.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.150000000000006 109.321 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 54.32 -95.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.429 1.08 . . . . 60.520000000000003 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.98 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 32.549999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.9 p -151.65 145.19 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 63.32 110.358 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.815 ' CD1' HD21 ' A' ' 439' ' ' LEU . 18.9 t80 -117.62 160.11 21.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 74.209999999999994 111.038 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.58 156.16 29.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 108.348 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 430' ' ' ASP . 40.5 tt0 -86.58 100.57 12.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 70.099999999999994 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 429' ' ' GLU . 0.0 OUTLIER 36.95 75.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 55.5 109.295 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 431' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 431' ' ' PHE . 60.6 t80 -111.85 49.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 73.140000000000001 110.956 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 57.03 18.32 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 72.209999999999994 110.24 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 4.7 m -50.78 179.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.243 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.28 -61.1 1.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.635 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 113.97 -14.51 21.6 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.663 1.227 . . . . 62.310000000000002 111.013 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -122.8 66.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 73.400000000000006 110.271 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -163.9 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 62.539999999999999 111.045 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.55 -86.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 75.209999999999994 110.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.815 HD21 ' CD1' ' A' ' 427' ' ' PHE . 0.2 OUTLIER -100.74 145.88 27.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 70.519999999999996 109.319 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.3 t -86.26 -7.57 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 45.299999999999997 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' CYS . . . . . . . . . . . . . 2.1 t -179.29 156.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 73.010000000000005 108.27 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -59.85 -33.47 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 70.129999999999995 109.321 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 36.1 mt-30 -83.4 -7.96 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 110.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.539 ' CG ' ' CD2' ' A' ' 448' ' ' HIS . 7.1 t0 -67.39 -28.51 67.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 73.329999999999998 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 398' ' ' VAL . . . -72.79 -5.75 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 72.239999999999995 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.546 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 8.6 mt -104.37 -21.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.54 ' OD1' ' CG ' ' A' ' 448' ' ' HIS . 3.8 p-10 -103.66 -12.38 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 62.219999999999999 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.54 ' CG ' ' OD1' ' A' ' 447' ' ' ASP . 5.3 m-70 -115.39 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 109.576 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.453 ' OG ' ' CA ' ' A' ' 397' ' ' PHE . 0.1 OUTLIER -70.92 163.31 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 64.209999999999994 109.989 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -75.68 -76.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 72.25 109.397 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 1.4 m-85 -123.72 136.16 54.28 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.449 1.093 . . . . 64.120000000000005 110.978 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 445' ' ' ALA . 2.7 mm -77.17 138.6 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 75.239999999999995 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.548 HG21 HG12 ' A' ' 399' ' ' ILE . 5.9 mt -111.93 113.8 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 465' ' ' SER . 0.7 OUTLIER -92.7 93.03 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 63.329999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 489' ' ' PHE . 9.6 tp -63.47 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 60.409999999999997 109.242 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 488' ' ' PRO . 7.6 mt -62.34 84.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 75.549999999999997 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.476 HG22 ' CD ' ' A' ' 491' ' ' PRO . 37.7 p -123.99 150.83 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 110.482 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -15.46 36.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 72.349999999999994 110.069 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.77 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 50.4 m-20 -89.27 -18.32 27.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 62.119999999999997 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.917 ' CE1' HD22 ' A' ' 400' ' ' LEU . 50.7 t80 -115.54 168.97 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 73.450000000000003 111.063 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.569 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 5.5 t0 -107.76 130.17 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 53.5 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.92 -53.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 43.299999999999997 108.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -38.88 -45.74 1.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.083 . . . . 71.319999999999993 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.1 tm? -73.1 -57.88 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 62.509999999999998 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.916 ' HB2' HD12 ' A' ' 454' ' ' LEU . 6.7 p -38.84 -62.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 64.540000000000006 110.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.506 HD13 ' CG ' ' A' ' 470' ' ' ASN . 2.3 tm? -52.32 -39.23 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 63.450000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.0 t60 -58.44 -45.98 87.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 75.450000000000003 109.646 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.498 ' OE1' HD11 ' A' ' 400' ' ' LEU . 10.5 mt-30 -60.15 -70.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 64.319999999999993 110.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.006 HG21 HG22 ' A' ' 486' ' ' VAL . 8.7 p -45.01 -40.23 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 73.25 109.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.506 ' CG ' HD13 ' A' ' 466' ' ' LEU . 3.4 m-20 -59.62 -74.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 73.430000000000007 109.28 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.55 ' O ' ' HE3' ' A' ' 474' ' ' MET . 4.3 mm100 -38.26 -47.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 25.43 110.29 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -56.41 -51.92 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 54.109999999999999 109.313 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.74 ' HE1' HG23 ' A' ' 486' ' ' VAL . 19.9 mtt -54.93 -74.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 74.129999999999995 111.01 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.617 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -46.93 -23.59 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.441 1.088 . . . . 73.099999999999994 111.065 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 15.0 t -77.92 -37.31 48.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 72.230000000000004 110.045 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 473' ' ' MET . 2.4 t-20 -137.41 92.73 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 65.120000000000005 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.0 mt -106.77 -25.66 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 72.439999999999998 109.256 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.2 t -61.63 -12.82 17.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 62.039999999999999 110.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -99.33 -69.81 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 72.219999999999999 110.242 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.546 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 0.0 OUTLIER -91.07 -51.11 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 65.430000000000007 110.292 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 51.64 23.66 10.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 42.32 111.008 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.7 m -120.91 102.08 44.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 70.430000000000007 110.062 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -74.95 0.38 8.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 75.140000000000001 111.049 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.94 -4.34 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.604 1.19 . . . . 74.439999999999998 109.339 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 29.5 m -62.23 -19.89 63.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.400000000000006 108.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 1.006 HG22 HG21 ' A' ' 469' ' ' VAL . 39.3 t -74.41 123.51 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 62.329999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.5 mm -127.12 93.65 41.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.030000000000001 109.331 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.461 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.97 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 74.420000000000002 110.975 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.608 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.2 t80 -84.55 158.17 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 70.400000000000006 110.966 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.9 tm? -140.66 105.63 6.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 63.119999999999997 109.322 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.06 172.24 16.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 71.049999999999997 110.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -75.69 -32.22 60.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.409999999999997 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.46 -37.67 83.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 71.319999999999993 110.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 0.7 OUTLIER -105.06 166.11 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 72.239999999999995 110.009 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.524 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.12 167.11 14.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 45.210000000000001 109.964 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.28 3.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.556 1.819 . . . . 73.310000000000002 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.76 -27.9 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 70.030000000000001 109.307 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.12 -13.31 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 70.209999999999994 110.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.737 ' CB ' HG21 ' A' ' 503' ' ' THR . 6.7 mt -93.06 169.87 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 63.039999999999999 109.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.2 t -63.3 -175.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 72.439999999999998 109.978 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -30.54 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.530000000000001 110.033 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 505' ' ' SER . 43.9 m-20 -76.54 -33.37 58.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.214 . . . . 72.319999999999993 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.892 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -45.0 -25.95 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 65.239999999999995 110.388 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.66 47.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.356 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -78.15 -15.8 58.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 110.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.7 mt -71.59 -28.3 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 63.520000000000003 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.0 pp -109.53 9.71 25.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 72.010000000000005 109.379 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.0 t -62.65 105.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 64.209999999999994 110.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.6 -22.19 12.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 110.95 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.37 -174.37 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 0.713 . . . . 74.109999999999999 109.3 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 511' ' ' VAL . 13.8 t -111.19 92.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.426 ' NE ' ' OD1' ' A' ' 514' ' ' ASP . 1.1 tmm_? -59.74 102.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.219999999999999 110.345 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 513' ' ' LEU . 6.7 tp -81.84 145.87 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 73.510000000000005 109.252 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.7 m-20 -140.38 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.294 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.3 tp10 -111.07 -30.0 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 61.109999999999999 110.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.17 21.84 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.400000000000006 109.578 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.3 t -106.04 135.37 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 75.310000000000002 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.69 -1.44 46.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 63.340000000000003 110.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.747 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.49 -25.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 73.409999999999997 109.29 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.2 t80 -40.17 -35.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 63.109999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.33 76.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 53.039999999999999 109.289 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.1 -19.37 60.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 70.099999999999994 110.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.747 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.8 mmmt -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 73.219999999999999 109.267 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.695 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -73.97 -40.6 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 73.150000000000006 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.54 -4.58 34.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 70.099999999999994 109.318 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 7.7 m-20 -95.12 -41.37 9.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 64.129999999999995 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.6 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 13.2 t -94.3 -53.45 3.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 71.120000000000005 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 65.0 m-85 -88.53 54.94 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.450000000000003 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.873 ' O ' HD23 ' A' ' 533' ' ' LEU . 23.1 mttt -64.88 153.73 87.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 44.119999999999997 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.98 11.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 71.25 110.987 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.652 ' CD2' ' CD ' ' A' ' 532' ' ' ARG . 52.8 p-80 -84.74 -12.86 52.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.430000000000007 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.652 ' CD ' ' CD2' ' A' ' 531' ' ' HIS . 0.7 OUTLIER -94.05 -19.19 21.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 110.231 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? -82.83 -53.12 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -67.75 -38.16 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 65.239999999999995 110.251 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 531' ' ' HIS . . . -73.78 -14.27 61.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 55.240000000000002 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -58.05 -28.79 64.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 62.030000000000001 110.342 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -91.93 -16.51 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 64.319999999999993 109.307 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 535' ' ' ALA . . . -50.9 -34.88 30.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 63.5 109.252 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.37 -32.57 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 53.32 110.936 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.74 -23.76 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 108.006 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -66.52 -27.89 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 61.549999999999997 110.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -51.94 -22.6 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.25 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -60.02 -38.74 83.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 71.209999999999994 110.26 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -82.6 -39.62 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.310000000000002 110.25 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.0 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 65.510000000000005 109.374 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 7.2 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.541 0.21 . . . . 55.030000000000001 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 387' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 387' ' ' GLU . 0.7 OUTLIER -113.23 112.97 24.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 71.099999999999994 110.28 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.1 t -105.94 17.43 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.150000000000006 110.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 58.1 m -130.68 18.53 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 109.956 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.99 97.6 9.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 61.219999999999999 109.991 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -90.9 -178.62 5.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 72.439999999999998 110.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -64.55 -174.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 71.129999999999995 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -127.95 122.37 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 73.409999999999997 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.61 140.74 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 61.530000000000001 111.018 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 5.5 m-30 -99.43 133.03 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 62.329999999999998 111.005 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.639 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 1.4 m120 -107.31 -5.48 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 71.109999999999999 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.6 p90 -177.75 156.93 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 75.25 110.932 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.834 ' HB ' ' HB1' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -118.71 112.48 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.22 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 397' ' ' PHE . 76.7 mt -88.66 101.46 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.594 1.184 . . . . 71.140000000000001 109.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.627 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -88.4 97.69 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 70.140000000000001 109.258 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 14.9 p80 -128.48 165.3 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 74.5 109.647 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.661 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -59.93 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.307 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -100.22 -9.63 22.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.340000000000003 110.309 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.67 17.16 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.227 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -128.21 36.57 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 73.140000000000001 109.318 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 25.6 tt0 -69.82 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 51.409999999999997 110.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.455 ' CE1' HG13 ' A' ' 408' ' ' ILE . 3.1 p-80 -38.21 -35.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.608 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 407' ' ' HIS . 75.9 mt -58.06 -55.61 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 71.329999999999998 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.83 -48.31 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 60.240000000000002 109.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.2 mt -52.94 -22.26 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 65.530000000000001 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -82.71 -29.63 29.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.592 1.183 . . . . 62.420000000000002 110.161 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 489' ' ' PHE . 11.5 t -78.07 -52.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 73.040000000000006 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 6.5 mtm180 -37.52 -50.69 1.13 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 110.201 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 417' ' ' GLU . 81.7 mt-10 -66.73 -52.98 38.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 74.340000000000003 110.334 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -29.49 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 64.129999999999995 109.351 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.885 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.4 mt -71.49 -37.94 71.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 63.240000000000002 109.289 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.2 mt-10 -72.05 -8.17 53.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 74.5 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.78 -6.88 55.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.010000000000005 109.333 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.8 mt -118.76 -44.92 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 73.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.03 -72.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 110.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -45.24 141.58 3.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.544 0.791 . . . . 65.5 109.335 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.94 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 75.420000000000002 111.061 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.458 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 1.1 p30 -65.92 -19.11 65.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 61.140000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.701 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.58 -95.83 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 73.150000000000006 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.03 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.786 . . . . 71.219999999999999 109.323 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.2 p -152.13 134.15 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 53.299999999999997 110.399 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 1.098 ' CD1' HD21 ' A' ' 439' ' ' LEU . 8.6 t80 -109.61 160.44 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 71.109999999999999 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' CB ' ' A' ' 432' ' ' GLN . 1.4 t -115.68 144.28 44.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 74.409999999999997 108.263 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 73.140000000000001 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.79 172.84 15.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 61.420000000000002 109.33 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 6.6 t80 42.48 30.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 74.019999999999996 110.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 432' ' ' GLN . . . . . 0.455 ' CB ' ' SG ' ' A' ' 428' ' ' CYS . 30.8 mm-40 -125.98 1.52 7.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.45 -176.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -100.39 -36.33 9.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.425 1.078 . . . . 65.209999999999994 109.587 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 176.65 -111.62 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.158 . . . . 71.049999999999997 111.003 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 14.49 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 73.120000000000005 110.272 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -56.86 -26.83 55.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 71.439999999999998 111.048 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.99 -83.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.507 0.769 . . . . 65.010000000000005 110.302 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 1.098 HD21 ' CD1' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -128.24 134.71 49.03 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 74.349999999999994 109.355 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.7 m -76.03 -36.36 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 65.019999999999996 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 439' ' ' LEU . 20.6 p -159.07 152.6 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 65.200000000000003 108.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.73 HD23 ' N ' ' A' ' 443' ' ' GLN . 0.1 OUTLIER -53.8 -34.4 59.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 64.319999999999993 109.359 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.73 ' N ' HD23 ' A' ' 442' ' ' LEU . 19.7 mt-30 -46.23 -27.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 63.240000000000002 110.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.3 m-20 -70.74 -41.3 72.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.834 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -74.26 -3.64 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 70.219999999999999 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 4.1 mt -88.79 -39.08 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.409999999999997 109.341 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.484 ' OD1' ' CE1' ' A' ' 448' ' ' HIS . 7.9 p30 -104.48 -9.65 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 63.119999999999997 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 2.1 m-70 -115.14 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 50.539999999999999 109.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.69 159.85 27.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -66.99 -72.53 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.566 1.166 . . . . 25.210000000000001 109.245 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 450' ' ' ALA . 13.0 m-85 -134.19 136.32 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 64.400000000000006 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.697 HG23 HG12 ' A' ' 398' ' ' VAL . 36.1 mm -69.41 128.6 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 70.209999999999994 109.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.825 HD12 ' CD1' ' A' ' 397' ' ' PHE . 98.2 mt -107.1 122.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 109.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 465' ' ' SER . 0.6 OUTLIER -109.06 104.38 13.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.314 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 457' ' ' THR . 7.1 tp -68.78 79.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 462' ' ' CYS . 8.6 mt -64.62 90.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 73.120000000000005 109.206 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 455' ' ' LEU . 11.6 p -126.39 156.33 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.0 t -63.97 -12.19 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 65.150000000000006 109.969 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.4 m120 -97.12 -14.8 21.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.627 ' CE1' HD22 ' A' ' 400' ' ' LEU . 55.6 t80 -115.48 172.66 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 71.329999999999998 110.944 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.474 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.8 OUTLIER -114.72 132.07 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 65.329999999999998 109.354 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.551 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.3 p -93.89 -42.4 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 51.450000000000003 108.337 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.48 ' HD3' HD11 ' A' ' 506' ' ' LEU . 20.1 mmm-85 -50.21 -35.4 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 75.049999999999997 110.388 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 465' ' ' SER . 2.5 tm? -76.6 -74.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.257 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.947 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.0 OUTLIER -38.05 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 110.006 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' LEU . 9.7 tt -77.79 -54.41 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 75.219999999999999 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 0.6 OUTLIER -51.54 -49.68 61.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 62.43 109.674 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.465 ' HG3' HD22 ' A' ' 464' ' ' LEU . 32.2 mt-30 -58.01 -74.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 64.239999999999995 110.23 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.656 ' CA ' HD11 ' A' ' 442' ' ' LEU . 3.3 p -39.96 -36.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.430000000000007 109.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -63.4 -74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 62.530000000000001 109.243 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.593 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 6.9 mm-40 -39.34 -38.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 70.219999999999999 110.269 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -65.52 -50.41 65.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 74.099999999999994 109.203 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 470' ' ' ASN . 1.5 mmt -59.17 -53.14 61.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 73.120000000000005 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.644 ' HA ' HD21 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -72.3 -3.17 22.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 73.140000000000001 111.013 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.6 t -90.18 -34.42 15.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 110.046 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.447 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 31.3 p-10 -124.65 65.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.383 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 474' ' ' MET . 12.6 mt -72.0 -32.14 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 109.367 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.2 t -74.44 -2.41 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.530000000000001 110.439 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 4.9 mmm180 -95.95 -71.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.7 pp0? -119.49 -35.22 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.209999999999994 110.361 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.552 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 41.59 33.83 1.05 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 53.130000000000003 111.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 473' ' ' MET . 2.1 m -110.15 99.65 40.58 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 62.219999999999999 109.994 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.55 8.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 34.520000000000003 110.916 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -94.67 13.41 24.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 71.329999999999998 109.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.65 37.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 108.37 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.839 ' O ' HD13 ' A' ' 487' ' ' ILE . 29.8 t -129.46 141.69 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 63.109999999999999 109.373 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 486' ' ' VAL . 7.3 mm -142.86 97.3 5.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 73.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.485 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.5 1.789 . . . . 74.319999999999993 111.006 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.1 165.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 111.046 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.1 tm? -149.47 103.14 3.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 71.129999999999995 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.492 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 170.26 20.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.452 1.764 . . . . 74.409999999999997 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -76.23 -24.94 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.408 ' CB ' ' CD1' ' A' ' 408' ' ' ILE . 42.5 mm-40 -64.02 -35.86 82.08 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.495 1.122 . . . . 64.140000000000001 110.286 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 15.6 m -121.48 175.3 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 62.340000000000003 110.025 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.452 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -143.96 166.05 21.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 110.067 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.482 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.94 -34.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 73.120000000000005 111.072 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.33 -27.72 68.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 42.240000000000002 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.93 -9.32 58.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.851 HD12 HG21 ' A' ' 503' ' ' THR . 9.2 mt -94.03 161.81 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 70.109999999999999 109.361 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 52.2 m -62.64 162.43 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.132 . . . . 51.210000000000001 110.02 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 66.6 m -67.41 -9.52 42.48 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.029 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.1 OUTLIER -83.73 -33.74 25.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.29 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.851 HG21 HD12 ' A' ' 499' ' ' LEU . 3.4 m -45.25 -31.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 54.299999999999997 110.357 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 109.222 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 502' ' ' ASP . 27.7 t -80.78 -15.37 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 55.149999999999999 109.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.2 mt -77.22 -36.68 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.140000000000001 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.6 pp -111.36 16.92 20.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 71.239999999999995 109.325 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.1 p -64.16 105.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 44.409999999999997 109.987 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 112.07 -19.56 22.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 73.409999999999997 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.67 -175.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 0.83 . . . . 71.140000000000001 109.244 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 40.7 t -115.47 94.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 75.25 109.291 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.497 ' NH1' HD21 ' A' ' 507' ' ' LEU . 14.1 tpp180 -53.93 121.88 8.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 74.329999999999998 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.599 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -109.66 128.18 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.25 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -118.9 167.62 11.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 75.540000000000006 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 18.5 tt0 -118.61 5.96 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.510000000000005 110.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -121.24 1.4 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 70.239999999999995 109.698 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.23 136.87 32.83 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 72.129999999999995 109.995 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -78.5 2.0 20.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 71.109999999999999 110.294 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.92 -27.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.239999999999995 109.301 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.92 -35.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 110.985 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.533 ' CB ' HD22 ' A' ' 419' ' ' LEU . . . -56.5 -47.2 79.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.045 . . . . 64.420000000000002 109.298 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.732 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.8 mpt_? -73.33 -20.32 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.09 . . . . 72.230000000000004 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.5 mmmt -74.07 -45.52 48.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 74.299999999999997 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.08 -40.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 63.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -72.66 -4.73 32.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.150000000000006 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -95.21 -40.23 9.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 75.230000000000004 109.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -94.0 -54.56 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 75.219999999999999 110.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 527' ' ' THR . 62.9 m-85 -85.36 54.57 3.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 65.420000000000002 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.777 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.6 mttt -67.87 154.36 93.72 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.401 1.063 . . . . 62.210000000000001 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.42 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 71.420000000000002 110.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.487 ' O ' ' CB ' ' A' ' 535' ' ' ALA . 2.8 p-80 -70.21 -11.74 61.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 62.439999999999998 109.605 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 30.7 mmm180 -94.98 -43.32 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 110.292 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? -53.71 -26.3 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -99.76 -47.25 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 63.43 110.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -63.17 -13.61 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.496 ' HD2' ' HE2' ' A' ' 539' ' ' MET . 7.3 tpt85 -55.38 -31.33 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 74.450000000000003 110.343 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -16.89 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 109.367 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.59 60.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 60.420000000000002 109.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.496 ' HE2' ' HD2' ' A' ' 536' ' ' ARG . 7.2 ptt? -99.15 -34.65 10.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 70.120000000000005 110.942 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.439 ' HA ' ' CE3' ' A' ' 540' ' ' TRP . 0.1 OUTLIER -51.96 -25.06 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 74.420000000000002 108.058 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 542' ' ' LYS . 7.9 ptm180 -62.63 -39.42 93.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.278 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 545' ' ' ASP . 12.0 mmmm -52.98 -45.14 67.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.210000000000001 109.293 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -45.71 -26.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 63.130000000000003 110.325 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.34 -38.7 23.86 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.573 1.171 . . . . 72.239999999999995 110.324 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 542' ' ' LYS . 9.5 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.2 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.452 0.167 . . . . 64.299999999999997 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -80.91 -174.66 4.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 72.099999999999994 110.293 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 m -117.01 49.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 43.399999999999999 110.069 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 27.1 t 67.17 44.04 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 50.229999999999997 109.998 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.0 t -59.59 166.98 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 61.130000000000003 110.017 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.5 177.1 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 110.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -114.31 147.32 39.28 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.402 1.064 . . . . 64.409999999999997 110.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.565 ' HG2' ' CE2' ' A' ' 395' ' ' TYR . 5.2 tppp? -127.15 155.26 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 109.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 394' ' ' PHE . 0.3 OUTLIER -97.78 107.62 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 74.040000000000006 111.003 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 393' ' ' LYS . 9.7 m-85 -138.3 162.23 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 75.409999999999997 111.048 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 396' ' ' ASN . 0.0 OUTLIER -113.12 -31.38 6.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 109.353 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 416' ' ' LEU . 4.2 p90 -160.34 142.6 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 111.031 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.945 HG12 HG23 ' A' ' 452' ' ' ILE . 3.6 p -110.33 102.34 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.450000000000003 109.364 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.582 HG12 HG21 ' A' ' 453' ' ' ILE . 70.0 mt -70.29 96.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 73.010000000000005 109.269 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.752 ' CD1' HD12 ' A' ' 442' ' ' LEU . 9.0 mt -78.48 109.44 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 71.519999999999996 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.662 ' CB ' HD23 ' A' ' 455' ' ' LEU . 22.2 p80 -135.97 -173.05 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.598 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -81.62 -159.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 53.43 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -98.84 -19.53 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 72.140000000000001 110.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.01 16.6 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 54.439999999999998 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.507 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -120.76 29.94 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 70.540000000000006 109.252 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.53 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 17.9 tt0 -72.41 -76.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.409999999999997 110.277 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.2 p-80 -39.09 -36.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 74.349999999999994 109.544 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 407' ' ' HIS . 54.1 mt -58.11 -53.83 40.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 70.239999999999995 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.24 -39.72 93.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.51 1.131 . . . . 62.350000000000001 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.9 mt -59.17 -27.56 65.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.229999999999997 109.326 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 411' ' ' ARG . 8.6 ttp-105 -81.42 -14.61 56.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.519999999999996 110.278 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 3.5 t -90.47 -52.66 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 73.049999999999997 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 6.9 mtm180 -38.22 -54.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 73.209999999999994 110.358 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 415' ' ' LYS . 7.8 mt-10 -60.25 -59.25 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 71.239999999999995 110.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 44.310000000000002 109.273 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.959 ' HB3' HG13 ' A' ' 421' ' ' VAL . 79.1 mt -47.46 -61.29 1.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 75.329999999999998 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 42.4 mt-10 -38.42 -29.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 110.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.47 -54.38 33.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 65.129999999999995 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.928 HD13 HG11 ' A' ' 524' ' ' VAL . 1.0 OUTLIER -68.28 -45.68 72.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 109.376 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.15 -70.02 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 111.033 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.959 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.7 OUTLIER -39.63 142.61 0.62 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.531 0.783 . . . . 64.5 109.3 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.05 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 75.209999999999994 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.3 OUTLIER -68.85 -22.23 64.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 51.25 109.268 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.47 -94.92 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 110.998 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.4 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 72.219999999999999 109.244 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.0 p -153.0 143.71 22.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 74.310000000000002 110.414 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.816 ' CG ' HD22 ' A' ' 439' ' ' LEU . 2.4 m-30 -117.67 112.74 20.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 74.510000000000005 110.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.432 ' SG ' ' CE1' ' A' ' 401' ' ' HIS . 56.6 m -84.61 118.65 24.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.219999999999999 108.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -53.84 138.21 36.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.152 . . . . 55.030000000000001 110.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -120.05 162.19 19.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 109.334 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -95.1 53.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 64.540000000000006 110.953 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 62.63 32.94 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 73.530000000000001 110.298 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 20.0 m -55.54 -172.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.329999999999998 109.351 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -42.44 -50.73 5.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.65 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.55 -13.82 66.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 44.109999999999999 110.95 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.19 61.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 70.109999999999999 110.323 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -167.67 -42.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 71.310000000000002 111.037 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.9 -72.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 71.530000000000001 110.254 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.816 HD22 ' CG ' ' A' ' 427' ' ' PHE . 3.2 pp -144.37 -173.94 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 54.509999999999998 109.236 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.701 ' N ' HD12 ' A' ' 439' ' ' LEU . 58.0 m -91.15 -65.24 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 70.230000000000004 109.969 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.635 ' N ' HD12 ' A' ' 439' ' ' LEU . 4.6 t -167.33 149.66 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 72.25 108.266 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 468' ' ' GLN . 0.1 OUTLIER -53.87 -52.51 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 71.299999999999997 109.395 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.789 ' N ' HD23 ' A' ' 442' ' ' LEU . 1.6 pt20 -64.0 -11.22 26.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 55.329999999999998 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 1.4 t70 -75.24 -3.11 31.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 75.450000000000003 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -102.18 -45.17 5.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 42.130000000000003 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.733 HD12 HG23 ' A' ' 469' ' ' VAL . 1.7 tt -55.91 -18.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 72.340000000000003 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -82.7 -40.79 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.450000000000003 109.224 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 1.1 p-80 -123.67 49.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 74.239999999999995 109.556 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 4.3 t -157.89 122.82 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 73.439999999999998 110.001 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -40.16 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 63.420000000000002 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 2.1 m-85 -127.76 125.58 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 70.540000000000006 110.982 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.945 HG23 HG12 ' A' ' 398' ' ' VAL . 13.4 mm -71.95 129.58 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 74.409999999999997 109.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.827 HD11 ' CE2' ' A' ' 528' ' ' PHE . 20.1 mt -100.72 140.0 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.010000000000005 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.51 HD13 ' OG ' ' A' ' 465' ' ' SER . 11.6 mt -117.67 104.31 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 70.430000000000007 109.218 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.662 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.4 tp -69.72 91.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.274 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 488' ' ' PRO . 6.1 mt -73.49 94.54 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.109999999999999 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.593 HG22 ' CD ' ' A' ' 491' ' ' PRO . 15.7 p -133.63 152.73 51.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.422 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 29.8 t -61.43 -14.71 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 74.5 109.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 73.1 m-20 -90.16 -18.62 25.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 73.510000000000005 109.357 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 81.6 t80 -114.34 172.97 6.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 64.450000000000003 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.505 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 25.4 t0 -126.02 131.08 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 65.319999999999993 109.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 464' ' ' LEU . 5.1 t -93.95 -44.23 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 70.239999999999995 108.352 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' A' ' 502' ' ' ASP . 7.3 mmt180 -38.79 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 73.209999999999994 110.309 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -86.04 -69.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 109.319 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.51 ' OG ' HD13 ' A' ' 454' ' ' LEU . 3.9 p -40.78 -61.28 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 43.240000000000002 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 466' ' ' LEU . 3.2 tm? -49.31 -37.9 25.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.281 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.6 OUTLIER -72.27 -28.56 63.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.430000000000007 109.565 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.823 ' HB3' HD22 ' A' ' 442' ' ' LEU . 27.2 mt-30 -81.11 -69.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 72.109999999999999 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 446' ' ' ILE . 5.5 p -40.38 -50.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 72.420000000000002 109.266 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.488 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.2 m120 -42.65 -55.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.609 1.193 . . . . 74.319999999999993 109.321 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.89 -31.25 71.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 73.299999999999997 110.233 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 443' ' ' GLN . . . -62.81 -17.59 61.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 109.311 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.771 ' HE3' HG23 ' A' ' 486' ' ' VAL . 7.7 mtt -90.32 -52.15 5.07 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.473 1.108 . . . . 72.329999999999998 111.034 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -8.27 30.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 71.439999999999998 110.991 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -106.17 -21.83 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 479' ' ' ARG . 28.2 t-20 -112.29 56.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 109.218 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 4.1 mt -95.36 -18.09 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 54.200000000000003 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.3 t -82.73 3.07 30.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 53.530000000000001 110.398 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 447' ' ' ASP . 10.2 tpt180 -112.56 -72.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 50.399999999999999 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 481' ' ' GLY . 3.7 pt20 -119.3 -36.71 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 110.338 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.24 49.78 66.12 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.47 1.106 . . . . 33.25 110.97 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.7 m -117.29 103.17 51.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.578 0.81 . . . . 53.219999999999999 109.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.98 1.16 8.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.434 1.755 . . . . 71.439999999999998 111.056 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -109.2 42.47 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 71.329999999999998 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 446' ' ' ILE . 27.7 p -118.29 37.19 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 71.340000000000003 108.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.946 ' O ' HD13 ' A' ' 487' ' ' ILE . 43.6 t -125.39 134.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 73.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.946 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.6 mm -139.98 96.74 8.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 73.040000000000006 109.374 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.571 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.94 102.53 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 73.409999999999997 111.007 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 5.4 t80 -77.89 169.58 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.415 1.072 . . . . 74.109999999999999 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.5 HD11 ' CD ' ' A' ' 496' ' ' PRO . 2.5 tt -156.93 104.26 1.93 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 55.5 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.593 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.92 171.59 18.0 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.465 1.771 . . . . 71.230000000000004 110.98 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.5 mp -77.86 -22.59 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.263 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.15 -40.28 97.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 64.329999999999998 110.337 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 4.1 m -109.72 -178.63 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.019999999999996 110.023 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -145.8 165.42 21.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 73.510000000000005 109.996 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.5 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -74.91 -31.39 6.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.373 1.723 . . . . 73.120000000000005 111.018 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.83 67.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.7 mt-30 -72.98 -9.16 58.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 52.399999999999999 110.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 503' ' ' THR . 3.2 mt -97.87 164.14 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 109.249 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 66.7 m -66.45 158.65 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 64.219999999999999 110.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.8 m -67.15 -9.57 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 72.019999999999996 109.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.555 ' CG ' HH21 ' A' ' 463' ' ' ARG . 5.0 m-20 -80.96 -37.35 29.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 63.140000000000001 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.967 HG22 HD21 ' A' ' 507' ' ' LEU . 20.0 m -41.21 -52.61 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 73.049999999999997 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.3 13.98 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 71.510000000000005 109.361 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.3 t -78.04 -27.28 48.71 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 54.43 109.989 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 503' ' ' THR . 60.4 mt -67.27 -29.7 69.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.304 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.967 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.03 27.12 7.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 55.210000000000001 109.291 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 61.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 74.319999999999993 109.997 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 162.8 -30.17 0.27 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 63.420000000000002 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 486' ' ' VAL . 15.2 mt -73.07 -173.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 74.019999999999996 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.672 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.0 t -118.19 99.06 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 73.25 109.311 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 512' ' ' ARG . 8.9 ttp-105 -67.58 121.04 15.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 72.319999999999993 110.35 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.2 mp -85.73 130.86 34.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.340000000000003 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -129.38 138.92 51.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 73.400000000000006 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.6 tp10 -84.95 -21.46 29.57 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.115 . . . . 74.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.447 ' CD2' ' HG ' ' A' ' 492' ' ' LEU . 0.0 OUTLIER -97.38 12.66 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 70.319999999999993 109.643 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -97.52 139.14 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 62.219999999999999 110.001 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -5.45 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 61.409999999999997 110.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.771 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.75 -26.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 42.240000000000002 109.339 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.3 OUTLIER -39.7 -36.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 61.43 110.995 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.29 -47.38 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 64.209999999999994 109.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.7 mpt_? -74.13 -19.07 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 72.340000000000003 110.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.771 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.1 mmmt -76.39 -41.46 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 73.530000000000001 109.246 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.928 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -77.17 -39.35 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 71.409999999999997 109.421 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -74.92 -3.3 31.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 62.32 109.294 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.14 -37.7 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 70.200000000000003 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.1 t -93.92 -53.8 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 110.412 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.827 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.2 m-85 -87.62 51.19 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.219999999999999 111.055 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 26.7 mttt -63.36 154.87 77.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 54.229999999999997 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.58 5.3 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.448 1.762 . . . . 62.210000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.9 p-80 -73.7 -6.94 49.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 72.25 109.591 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 49.5 mmm-85 -100.14 -41.92 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.195 . . . . 72.420000000000002 110.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.55 ' N ' HD23 ' A' ' 533' ' ' LEU . 2.2 mt -67.2 -55.9 12.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 63.329999999999998 109.266 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 3.5 pt20 -55.29 -40.46 71.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.409999999999997 110.354 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 538' ' ' ALA . . . -74.22 -25.86 59.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 65.439999999999998 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.44 ' O ' ' CE ' ' A' ' 539' ' ' MET . 7.7 mmm180 -71.71 -41.01 69.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 539' ' ' MET . 15.3 pttt -97.92 -5.97 33.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 73.340000000000003 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 535' ' ' ALA . . . -45.43 -26.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 109.244 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.44 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 37.6 mtm -64.6 -43.28 94.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 65.219999999999999 111.038 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -81.17 -20.29 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.902 -1.148 . . . . 44.210000000000001 107.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.445 ' C ' ' N ' ' A' ' 543' ' ' GLU . 33.3 mtp85 -71.47 -30.26 65.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 52.530000000000001 110.231 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -40.54 -29.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 109.263 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 541' ' ' ARG . 28.5 mm-40 -56.32 -49.81 73.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 63.119999999999997 110.332 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 541' ' ' ARG . 10.0 mm-40 -82.89 -35.41 26.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 70.230000000000004 110.252 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 73.0 109.328 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 6.6 ptt? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.587 0.232 . . . . 72.439999999999998 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.63 131.2 48.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.057 . . . . 73.329999999999998 110.309 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 p -103.75 9.35 37.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 74.140000000000001 109.981 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.8 t 174.66 83.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.6 t -48.68 174.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 60.210000000000001 109.969 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.93 179.83 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 75.150000000000006 110.3 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' GLN . . . . . 0.439 ' O ' ' CE1' ' A' ' 394' ' ' PHE . 20.1 tp60 -108.7 148.0 31.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 110.219 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.74 149.66 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 72.219999999999999 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' A' ' 392' ' ' GLN . 7.6 m-85 -125.84 160.83 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 55.329999999999998 111.003 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -97.74 157.53 16.01 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.441 1.088 . . . . 74.099999999999994 110.933 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.613 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 0.0 OUTLIER -112.28 -27.63 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.219999999999999 109.345 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 1.01 ' CD2' HD12 ' A' ' 453' ' ' ILE . 34.2 p90 -173.26 137.79 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 72.5 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.998 HG12 HG23 ' A' ' 452' ' ' ILE . 0.5 OUTLIER -103.95 119.21 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.120000000000005 109.33 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.517 ' C ' HD23 ' A' ' 400' ' ' LEU . 30.1 mt -79.69 137.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 70.329999999999998 109.304 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 399' ' ' ILE . 10.9 mt -111.59 99.75 8.43 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.459 1.1 . . . . 54.32 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.693 ' HB3' HD23 ' A' ' 455' ' ' LEU . 15.4 p80 -141.42 168.7 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.588 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.461 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -72.37 -159.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 64.040000000000006 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -98.96 -11.38 21.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.176 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.7 16.75 24.1 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.589 1.181 . . . . 25.010000000000002 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.41 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.06 25.39 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 70.150000000000006 109.376 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.502 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.2 tt0 -64.81 -76.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.465 1.103 . . . . 62.340000000000003 110.319 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.432 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.3 p-80 -38.06 -32.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.519999999999996 109.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 406' ' ' GLU . 35.5 mt -63.03 -57.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 75.310000000000002 109.248 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -62.77 -50.25 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 61.100000000000001 109.257 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.5 mt -49.13 -29.8 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 65.5 109.405 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -77.03 -31.58 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 73.030000000000001 110.285 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.9 t -73.78 -53.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 109.366 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.2 mtm180 -38.17 -52.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 63.229999999999997 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 417' ' ' GLU . 27.7 mt-10 -66.05 -51.78 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.200000000000003 110.308 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.564 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -47.83 -31.83 5.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.285 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.901 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.7 mt -73.25 -37.54 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 61.240000000000002 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.4 mt-10 -65.93 -8.7 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 75.420000000000002 110.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -95.78 -2.55 47.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 65.310000000000002 109.279 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 524' ' ' VAL . 2.7 mt -118.24 -44.37 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.58 -74.97 0.08 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.589 1.181 . . . . 54.539999999999999 110.99 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.901 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -46.72 140.4 5.96 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.586 0.815 . . . . 72.200000000000003 109.33 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.6 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.0 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 54.299999999999997 111.02 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.75 -45.46 74.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 72.239999999999995 109.257 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.54 -96.47 1.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 53.109999999999999 111.052 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 179.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 64.140000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 6.4 p -151.57 109.97 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 61.119999999999997 110.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.718 ' CE1' HD21 ' A' ' 439' ' ' LEU . 2.0 t80 -99.91 130.19 46.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 72.230000000000004 111.083 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 14.2 p -108.29 137.73 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 61.210000000000001 108.344 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.45 149.23 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 74.010000000000005 110.292 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -76.17 75.91 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 75.140000000000001 109.219 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -112.98 -25.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 74.409999999999997 111.092 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.15 -37.33 7.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 52.119999999999997 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.42 -176.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 64.549999999999997 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -100.0 -34.87 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 109.604 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.44 73.77 1.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 42.409999999999997 111.037 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 54.1 mmt-85 -130.03 57.39 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 73.430000000000007 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 137.73 -12.36 3.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.41 1.069 . . . . 63.240000000000002 111.032 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -68.39 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 64.420000000000002 110.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.727 ' C ' HD12 ' A' ' 439' ' ' LEU . 1.3 pp -132.88 176.46 8.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 73.420000000000002 109.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 439' ' ' LEU . 75.4 m -76.98 -73.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 53.43 110.008 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 1.5 m -162.08 166.08 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 54.109999999999999 108.282 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -67.13 -35.85 80.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.200000000000003 109.269 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.511 ' N ' HD13 ' A' ' 442' ' ' LEU . 11.3 pt20 -86.78 -5.74 59.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 65.530000000000001 110.367 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.448 ' CG ' ' CB ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -73.89 -5.13 39.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.574 1.171 . . . . 75.530000000000001 109.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.827 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -102.92 -31.46 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 23.34 109.301 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.623 ' N ' HD11 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -71.97 -19.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 109.23 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 448' ' ' HIS . 4.6 p-10 -103.44 -48.62 3.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' A' ' 447' ' ' ASP . 5.9 t-160 -75.74 -55.67 5.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 72.219999999999999 109.551 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -72.26 150.29 43.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 109.997 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -59.23 -75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 71.510000000000005 109.344 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.54 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 19.4 m-85 -127.18 132.41 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.443 1.09 . . . . 74.439999999999998 110.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.998 HG23 HG12 ' A' ' 398' ' ' VAL . 21.4 mm -74.6 131.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 74.150000000000006 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 1.01 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.7 mt -103.97 120.14 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.200000000000003 109.223 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 454' ' ' LEU . 1.5 mt -96.03 92.94 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 401' ' ' HIS . 11.2 tp -63.45 79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.277 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.48 HD22 ' SG ' ' A' ' 462' ' ' CYS . 12.5 mt -64.56 95.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 73.219999999999999 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.463 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 76.5 p -131.67 148.94 52.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 110.368 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.0 p -56.14 -19.04 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.0 -25.06 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.395 1.06 . . . . 64.409999999999997 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 465' ' ' SER . 40.6 t80 -103.01 166.47 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 110.973 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 5.9 t0 -111.79 135.02 52.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 70.230000000000004 109.266 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.807 ' O ' HD12 ' A' ' 466' ' ' LEU . 3.2 m -93.9 -51.44 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 41.450000000000003 108.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' CYS . 34.5 mtp180 -37.4 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 72.019999999999996 110.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 462' ' ' CYS . 2.3 tm? -92.94 -52.17 4.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 109.274 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 460' ' ' PHE . 1.2 t -40.34 -51.75 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 110.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 462' ' ' CYS . 3.5 mp -71.33 -55.16 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 109.16 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -45.04 -26.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 72.420000000000002 109.591 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.438 ' CD ' ' CD1' ' A' ' 464' ' ' LEU . 73.8 mt-30 -79.92 -74.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 53.340000000000003 110.266 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 465' ' ' SER . 3.9 m -40.18 -51.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 62.109999999999999 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.481 ' N ' HG23 ' A' ' 469' ' ' VAL . 1.9 m-80 -40.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 43.399999999999999 109.32 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.552 ' HA ' ' HE3' ' A' ' 474' ' ' MET . 27.6 mm-40 -47.74 -47.48 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 74.430000000000007 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -49.96 -47.1 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 55.229999999999997 109.267 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.532 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 18.2 mtt -58.15 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 73.450000000000003 110.962 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.804 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.7 -16.72 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 71.530000000000001 110.979 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 23.5 m -82.71 -27.98 30.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 42.43 110.013 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.52 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 13.2 t-20 -142.3 91.72 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.804 HD11 ' HA ' ' A' ' 474' ' ' MET . 5.9 mt -114.2 -16.79 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 63.200000000000003 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 479' ' ' ARG . 0.7 OUTLIER -74.69 -3.2 29.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 61.509999999999998 110.367 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.52 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 8.5 mmp_? -107.23 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.129999999999995 110.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.512 ' NE2' ' HB2' ' A' ' 479' ' ' ARG . 0.0 OUTLIER -116.34 -35.86 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 72.25 110.281 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 41.07 51.43 4.23 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.503 1.127 . . . . 73.409999999999997 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.39 99.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.796 . . . . 53.539999999999999 110.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.501 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -75.05 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.569 1.826 . . . . 51.409999999999997 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.21 22.55 14.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 54.420000000000002 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.5 m -95.21 32.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.119999999999997 108.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 454' ' ' LEU . 3.1 t -119.64 113.17 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 71.319999999999993 109.211 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.722 HG22 HD22 ' A' ' 513' ' ' LEU . 2.1 mm -119.88 93.2 47.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 64.129999999999995 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 17.9 Cg_endo -75.02 106.63 2.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.47 1.774 . . . . 73.230000000000004 110.965 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.553 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.1 t80 -83.64 165.09 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 73.109999999999999 110.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -145.32 97.52 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 61.420000000000002 109.276 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.46 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -75.06 159.93 40.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 65.209999999999994 110.985 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 516' ' ' HIS . 1.6 mt -69.86 -10.08 57.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 74.040000000000006 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -80.64 -26.29 37.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 110.282 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.414 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.8 m -124.43 178.8 5.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.444 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.22 165.31 19.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 43.140000000000001 109.992 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.4 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 75.340000000000003 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.18 -24.13 67.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 109.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 1.1 mt-30 -74.9 -9.64 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 110.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 499' ' ' LEU . 3.5 mt -98.47 163.3 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.369 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.1 m -64.77 152.11 43.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 54.299999999999997 109.998 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.8 t -62.63 -13.33 30.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 64.150000000000006 110.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 505' ' ' SER . 40.2 m-20 -84.86 -35.43 22.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.623 1.202 . . . . 44.240000000000002 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.808 ' O ' HD13 ' A' ' 507' ' ' LEU . 28.5 m -42.84 -48.66 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 110.372 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ALA . . . . . 0.434 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -51.63 -39.08 57.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 63.43 109.356 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 502' ' ' ASP . 15.5 t -80.89 -22.87 39.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 75.140000000000001 109.943 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.0 mt -69.2 -40.73 77.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 62.399999999999999 109.278 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.11 25.8 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.057 . . . . 73.209999999999994 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 508' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.3 OUTLIER -56.92 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.566 1.166 . . . . 64.420000000000002 110.059 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 116.58 -45.8 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 52.350000000000001 110.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 507' ' ' LEU . 44.2 mt -40.65 131.99 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 60.350000000000001 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 511' ' ' VAL . 3.4 t -61.46 90.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 75.25 109.341 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 8.7 ttp-105 -66.32 126.29 28.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.010000000000005 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.722 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -92.87 140.56 29.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 45.210000000000001 109.291 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.563 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.6 m-20 -142.85 148.46 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 74.409999999999997 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -84.58 -30.55 24.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 61.210000000000001 110.322 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.512 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -85.94 5.47 32.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.387 1.054 . . . . 65.129999999999995 109.544 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 517' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 514' ' ' ASP . 7.1 t -94.67 118.96 32.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.635 1.21 . . . . 64.400000000000006 109.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -74.92 -1.95 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 73.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.795 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -110.07 -27.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.510000000000005 109.386 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.4 t80 -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.113 . . . . 75.349999999999994 110.98 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.8 81.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 74.519999999999996 109.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.6 mpt_? -73.36 -23.78 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.25 110.326 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.795 ' CD ' HD11 ' A' ' 519' ' ' ILE . 22.2 mmmt -70.94 -45.21 64.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 109.335 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.87 -43.01 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 62.119999999999997 109.252 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -68.95 -9.03 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -87.25 -53.15 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.200000000000003 109.238 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.0 t -77.21 -53.25 7.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.540000000000006 110.406 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.3 m-85 -88.18 54.87 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 110.894 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.0 mttm -63.37 158.81 54.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 54.310000000000002 109.335 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -36.36 2.6 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.549 1.815 . . . . 73.530000000000001 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -78.59 -1.64 35.09 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.552 1.158 . . . . 51.229999999999997 109.62 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 536' ' ' ARG . 11.2 mmm180 -97.54 -43.29 7.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 75.400000000000006 110.209 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.9 mm? -62.71 -57.56 10.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 71.519999999999996 109.345 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.532 ' HB2' ' HZ1' ' A' ' 537' ' ' LYS . 4.3 pt20 -56.59 -40.62 75.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.371 1.045 . . . . 74.409999999999997 110.287 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -77.43 -15.66 59.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 109.245 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 532' ' ' ARG . 9.1 mmm180 -87.56 -22.32 24.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.329999999999998 110.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.538 ' HA ' ' CE3' ' A' ' 540' ' ' TRP . 3.2 pttm -90.57 -16.12 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 55.340000000000003 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -60.91 -21.71 63.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.395 1.059 . . . . 71.219999999999999 109.244 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 50.8 mtm -99.56 -18.4 17.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 70.319999999999993 111.031 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 537' ' ' LYS . 44.6 m0 -76.32 -24.1 54.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 72.120000000000005 107.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -72.29 -25.75 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 71.430000000000007 110.354 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -59.14 -54.17 50.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 71.510000000000005 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -54.68 -21.92 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 71.540000000000006 110.311 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -80.33 -38.62 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 62.439999999999998 110.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 73.540000000000006 109.22 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.533 0.206 . . . . 72.319999999999993 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -151.21 -174.21 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 110.258 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.4 t -81.79 2.85 28.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.369 1.043 . . . . 65.409999999999997 109.911 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 25.9 p -132.81 18.86 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.349999999999994 110.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 26.0 p -100.71 90.56 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 61.030000000000001 109.988 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.82 -179.02 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 110.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 392' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 393' ' ' LYS . 5.4 tp60 -119.37 145.4 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.349999999999994 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 392' ' ' GLN . 15.6 ttpp -40.46 154.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 74.439999999999998 109.336 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -91.04 107.24 19.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 111.004 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -95.21 135.4 36.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 45.240000000000002 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.67 ' CG ' HD11 ' A' ' 533' ' ' LEU . 4.6 t30 -113.61 -11.28 13.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.451 1.094 . . . . 65.540000000000006 109.286 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.857 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.6 p90 -174.85 147.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.988 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 427' ' ' PHE . 2.4 t -112.89 108.88 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 47.3 mt -73.42 91.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 72.409999999999997 109.316 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 400' ' ' LEU . 0.3 OUTLIER -76.01 99.49 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.203 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.478 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 20.0 p80 -132.19 -167.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 75.5 109.575 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -85.05 -166.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 73.040000000000006 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.5 -9.69 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 110.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.52 16.87 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.340000000000003 109.244 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.422 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -127.26 29.24 5.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 55.329999999999998 109.249 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 407' ' ' HIS . 27.9 tt0 -62.68 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 63.549999999999997 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 408' ' ' ILE . 25.6 p-80 -36.02 -45.05 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 73.409999999999997 109.573 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.532 HG13 ' CE1' ' A' ' 407' ' ' HIS . 65.4 mt -53.23 -59.0 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 61.509999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -55.78 -49.73 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 70.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.94 -14.52 35.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 74.340000000000003 109.219 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.432 HH21 HD13 ' A' ' 492' ' ' LEU . 25.1 ttp85 -81.38 -18.83 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 110.333 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 489' ' ' PHE . 6.6 t -95.03 -53.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.342 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.65 -38.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 75.25 110.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 415' ' ' LYS . 83.9 mt-10 -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 40.310000000000002 110.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -39.38 -54.11 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 51.439999999999998 109.259 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.2 mt -39.84 -54.51 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.109999999999999 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 416' ' ' LEU . 10.9 mt-10 -36.81 -45.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.450000000000003 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.82 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 62.140000000000001 109.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.955 HD13 HG11 ' A' ' 524' ' ' VAL . 2.5 mt -65.96 -45.97 79.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.386 1.054 . . . . 73.540000000000006 109.239 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 163.85 -68.63 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 110.97 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.17 137.34 0.96 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 0.718 . . . . 75.310000000000002 109.35 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 63.039999999999999 110.989 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.442 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.9 p30 -59.48 -43.93 93.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 72.439999999999998 109.345 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 80.38 -97.96 1.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 72.329999999999998 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.91 -176.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 63.149999999999999 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 6.9 p -151.19 149.15 29.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 61.210000000000001 110.37 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 439' ' ' LEU . 5.3 t80 -121.75 150.82 41.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.25 110.953 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 6.6 p -128.98 150.52 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 73.219999999999999 108.3 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 431' ' ' PHE . 11.6 pt-20 -84.83 4.52 32.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 71.430000000000007 110.345 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -40.6 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 64.319999999999993 109.316 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 429' ' ' GLU . 23.0 t80 -106.28 -17.22 14.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 75.120000000000005 110.955 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -49.82 -25.27 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 64.109999999999999 110.285 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.756 HG23 ' H ' ' A' ' 435' ' ' GLY . 1.8 m -83.28 175.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 42.109999999999999 109.238 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -44.31 -41.72 6.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 62.25 109.554 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' GLY . . . . . 0.756 ' H ' HG23 ' A' ' 433' ' ' VAL . . . 96.15 -28.62 12.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.598 1.186 . . . . 51.420000000000002 110.957 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.83 52.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 74.450000000000003 110.278 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -175.58 36.58 0.1 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 52.350000000000001 111.138 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.99 -71.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 73.209999999999994 110.344 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.726 HD21 ' CE2' ' A' ' 427' ' ' PHE . 2.3 pp -130.04 -164.54 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 72.519999999999996 109.21 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 439' ' ' LEU . 8.6 t -76.43 -71.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.319999999999993 109.999 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 0.5 OUTLIER -159.79 -169.85 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 108.306 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.864 HD11 ' HB3' ' A' ' 468' ' ' GLN . 0.2 OUTLIER -90.54 -60.49 1.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 44.119999999999997 109.354 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.732 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 38.9 mt-30 -53.52 -19.57 3.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 63.350000000000001 110.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.545 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.2 p-10 -52.47 -34.43 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.641 1.213 . . . . 75.140000000000001 109.336 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.807 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -82.05 -29.57 31.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 74.329999999999998 109.23 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 469' ' ' VAL . 34.8 mt -77.26 -20.32 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 443' ' ' GLN . 19.8 t0 -103.75 -64.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.8 OUTLIER -56.11 -61.55 2.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 44.5 109.606 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 162.2 29.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 43.229999999999997 109.955 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.533 ' HB2' ' NH2' ' A' ' 536' ' ' ARG . . . -76.46 -73.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.318 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 7.1 m-85 -122.25 135.8 54.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.807 HD11 ' C ' ' A' ' 445' ' ' ALA . 9.4 mm -77.53 136.01 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 74.5 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.857 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.2 mt -111.48 122.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 73.420000000000002 109.261 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.787 HD13 ' OG ' ' A' ' 465' ' ' SER . 3.3 mt -104.72 110.81 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.366 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 455' ' ' LEU . 7.0 tp -74.48 81.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 70.120000000000005 109.27 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 488' ' ' PRO . 6.1 mt -68.84 88.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 71.420000000000002 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.582 HG22 ' CD ' ' A' ' 491' ' ' PRO . 24.7 p -125.73 158.78 34.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 75.299999999999997 110.419 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.6 p -62.14 -13.5 27.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 109.937 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.636 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.4 m120 -97.5 13.36 30.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.337 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 400' ' ' LEU . 40.5 t80 -150.21 164.98 34.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 51.119999999999997 111.033 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 14.2 t0 -114.64 128.71 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 55.240000000000002 109.28 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 503' ' ' THR . 19.3 p -82.83 -41.73 18.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 108.201 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -39.22 -29.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 63.310000000000002 110.196 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 468' ' ' GLN . 1.8 tm? -87.23 -57.49 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 63.450000000000003 109.25 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.787 ' OG ' HD13 ' A' ' 454' ' ' LEU . 5.0 p -38.52 -35.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 71.219999999999999 110.042 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' A' ' 469' ' ' VAL . 2.6 tt -76.81 -59.69 2.67 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 64.519999999999996 109.341 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.422 ' O ' ' ND1' ' A' ' 467' ' ' HIS . 1.4 t60 -45.65 -28.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.619 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.864 ' HB3' HD11 ' A' ' 442' ' ' LEU . 4.1 mm100 -76.57 -75.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 110.395 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 486' ' ' VAL . 9.6 p -40.14 -30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.129999999999995 109.266 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.8 m120 -74.59 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.310000000000002 109.256 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.7 OUTLIER -44.6 -26.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 110.251 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.732 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -87.52 -40.74 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.566 ' SD ' HG22 ' A' ' 469' ' ' VAL . 12.7 mtt -61.97 -60.72 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 72.019999999999996 110.945 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.739 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -61.39 -12.99 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 74.140000000000001 110.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 14.0 t -85.76 -26.37 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.583 1.177 . . . . 73.400000000000006 109.973 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.439 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 45.0 t30 -142.41 88.69 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 72.439999999999998 109.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.739 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -110.58 -21.59 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 64.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 4.4 t -73.99 -2.0 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 60.329999999999998 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.439 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 15.2 mmt-85 -104.65 -66.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 71.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.427 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -111.69 -33.93 6.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.32 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.67 37.08 0.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 62.32 111.033 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.9 m -111.92 96.97 36.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 74.349999999999994 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.549 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 74.510000000000005 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.66 20.4 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 52.130000000000003 109.223 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.66 21.17 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 64.239999999999995 108.245 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 469' ' ' VAL . 5.7 t -103.54 123.65 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 65.420000000000002 109.362 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.619 ' CG2' HD22 ' A' ' 513' ' ' LEU . 6.1 mm -125.47 94.52 42.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.215 . . . . 55.140000000000001 109.265 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 93.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 71.099999999999994 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 412' ' ' VAL . 8.1 t80 -77.93 151.63 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 71.200000000000003 111.017 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.588 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.6 tm? -138.72 107.15 7.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 72.329999999999998 109.364 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.588 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -75.01 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 74.150000000000006 110.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.7 mp -76.71 -23.0 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.200000000000003 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.48 -35.68 80.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.209999999999994 110.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.487 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 6.3 m -121.59 174.79 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 75.310000000000002 110.033 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.575 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -140.32 164.83 34.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 73.299999999999997 109.994 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.41 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.3 Cg_endo -74.99 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.573 1.828 . . . . 75.409999999999997 111.007 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.15 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 109.277 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -13.52 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 73.430000000000007 110.342 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.741 ' CD1' HG21 ' A' ' 503' ' ' THR . 7.9 mt -89.32 166.79 13.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 51.439999999999998 109.251 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.8 t -64.63 162.42 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 70.549999999999997 110.068 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 45.9 m -69.5 -8.53 47.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 44.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 12.6 m-20 -84.57 -36.93 21.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.230000000000004 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 506' ' ' LEU . 98.3 m -41.62 -43.86 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 110.449 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.67 75.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 63.210000000000001 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.6 m -75.7 -17.85 59.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 75.209999999999994 110.073 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 503' ' ' THR . 65.4 mt -77.76 -37.24 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 109.292 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.7 pp -109.85 15.99 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.229 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.6 p -64.47 104.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.41 1.069 . . . . 65.519999999999996 110.059 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 114.3 -30.34 7.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 70.409999999999997 111.041 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.689 HD13 ' HB ' ' A' ' 486' ' ' VAL . 3.5 mt -63.06 -173.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 73.420000000000002 109.331 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.622 HG13 ' HE2' ' A' ' 523' ' ' LYS . 30.3 t -114.91 86.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 73.530000000000001 109.281 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 3.3 tmm_? -52.04 110.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 110.234 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 489' ' ' PHE . 7.9 tp -89.71 132.27 35.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.549999999999997 109.226 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.2 m-20 -120.79 167.68 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 73.109999999999999 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 489' ' ' PHE . 11.3 tp10 -121.0 6.74 10.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 73.120000000000005 110.264 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.43 10.29 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.56 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 33.3 t -88.55 162.32 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 73.299999999999997 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -100.41 -7.6 24.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 72.319999999999993 110.212 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.775 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 71.329999999999998 109.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.553 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.4 t80 -39.59 -35.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 75.219999999999999 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.446 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.56 -47.51 76.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.386 1.054 . . . . 53.32 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.734 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.6 mpt_? -73.45 -19.57 60.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.382 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -75.57 -43.04 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.073 . . . . 62.450000000000003 109.361 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.955 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -75.72 -38.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 72.230000000000004 109.351 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.87 -3.21 30.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.310000000000002 109.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -99.56 -42.63 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.230000000000004 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.606 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 3.6 t -87.35 -51.41 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.120000000000005 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 453' ' ' ILE . 57.7 m-85 -92.84 64.5 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 75.239999999999995 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.639 ' O ' HD23 ' A' ' 533' ' ' LEU . 27.9 mttt -71.22 157.05 90.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 73.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -42.33 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 111.02 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.6 ' CE1' ' NE ' ' A' ' 532' ' ' ARG . 6.3 p80 -61.9 -13.02 20.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.605 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.6 ' NE ' ' CE1' ' A' ' 531' ' ' HIS . 12.7 mmt180 -102.03 -25.47 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.266 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.67 HD11 ' CG ' ' A' ' 396' ' ' ASN . 0.2 OUTLIER -74.51 -51.84 13.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 61.140000000000001 109.278 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 535' ' ' ALA . 0.0 OUTLIER -69.55 -25.41 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 71.030000000000001 110.305 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 538' ' ' ALA . . . -70.29 -8.76 52.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 109.328 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 450' ' ' ALA . 4.6 tpp85 -56.92 -44.69 82.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.168 . . . . 74.230000000000004 110.315 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 541' ' ' ARG . 11.3 pttt -71.5 -10.76 60.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.310000000000002 109.216 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 535' ' ' ALA . . . -70.96 -48.89 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 62.240000000000002 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 71.109999999999999 111.049 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 543' ' ' GLU . 2.1 t90 -52.12 -50.92 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.983 -1.118 . . . . 73.420000000000002 107.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 537' ' ' LYS . 12.1 mtp85 -42.1 -28.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 64.099999999999994 110.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 540' ' ' TRP . 9.2 mmtp -69.39 -49.88 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 109.228 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 543' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 540' ' ' TRP . 7.8 mm-40 -62.11 -20.87 64.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 71.109999999999999 110.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -68.31 -27.74 66.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 110.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 64.430000000000007 109.358 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.5 tmm? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.473 0.178 . . . . 52.240000000000002 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -93.38 166.28 12.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.400000000000006 110.24 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.66 83.51 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 63.340000000000003 110.045 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 26.5 p 43.12 55.14 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 110.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -57.0 92.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.92 -173.5 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 75.400000000000006 110.279 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -39.01 122.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 72.230000000000004 110.291 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.574 ' NZ ' ' CE1' ' A' ' 395' ' ' TYR . 0.9 OUTLIER -41.98 135.72 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 50.539999999999999 109.314 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -159.5 173.72 15.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.399999999999999 110.973 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.574 ' CE1' ' NZ ' ' A' ' 393' ' ' LYS . 33.9 m-85 -116.88 128.95 55.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 110.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.679 ' OD1' HD12 ' A' ' 533' ' ' LEU . 39.7 m-80 -113.46 -9.02 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 73.099999999999994 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.94 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.8 p90 -178.65 128.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.983 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.849 HG12 HG23 ' A' ' 452' ' ' ILE . 0.4 OUTLIER -88.59 114.67 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 71.530000000000001 109.386 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 39.9 mt -84.99 90.22 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.977 HD12 ' CZ ' ' A' ' 460' ' ' PHE . 0.1 OUTLIER -63.31 97.6 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.556 1.16 . . . . 64.340000000000003 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.641 ' CB ' HD23 ' A' ' 455' ' ' LEU . 2.4 p80 -130.23 -178.75 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 63.32 109.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.555 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -104.01 156.62 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 71.299999999999997 109.202 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.767 ' NE ' ' HB2' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -61.03 -11.81 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.767 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . . . -107.03 18.24 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.2 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.642 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.8 OUTLIER -134.21 25.23 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 71.340000000000003 109.355 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.528 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 21.5 tt0 -62.34 -74.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 74.540000000000006 110.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 406' ' ' GLU . 35.8 p-80 -36.44 -33.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 73.129999999999995 109.595 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 405' ' ' ASP . 30.2 mt -65.29 -60.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 109.337 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -57.64 -52.18 66.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 64.340000000000003 109.307 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 410' ' ' LEU . 1.8 mt -47.79 -24.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 409' ' ' ALA . 19.9 ttp180 -79.17 -36.7 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 71.540000000000006 110.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -70.73 -53.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 71.120000000000005 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.4 mtm180 -37.25 -49.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 74.120000000000005 110.294 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 417' ' ' GLU . 44.3 mt-10 -69.2 -51.73 35.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -25.93 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 71.019999999999996 109.37 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.848 ' HB3' HG13 ' A' ' 421' ' ' VAL . 69.3 mt -76.78 -35.75 57.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 422' ' ' PRO . 5.9 mt-10 -74.02 -8.46 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.030000000000001 110.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.57 -8.41 52.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 51.539999999999999 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.595 HD13 HG11 ' A' ' 524' ' ' VAL . 1.2 mt -117.01 -44.84 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 71.109999999999999 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 35.219999999999999 110.941 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.848 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -43.9 138.94 3.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 63.219999999999999 109.306 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.7 Cg_endo -74.86 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 75.230000000000004 111.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.447 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -60.59 -43.71 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 74.540000000000006 109.343 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.5 -93.46 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.23 178.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 74.400000000000006 109.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.488 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 1.4 p -152.59 140.37 19.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 73.349999999999994 110.345 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 1.114 ' CE2' HD21 ' A' ' 439' ' ' LEU . 0.9 OUTLIER -86.17 133.58 33.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 111.023 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 403' ' ' ARG . 8.0 t -128.56 93.58 3.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 71.019999999999996 108.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.61 157.2 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 75.150000000000006 110.231 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 433' ' ' VAL . 8.2 t0 -173.07 155.84 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 73.150000000000006 109.36 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 431' ' ' PHE . 5.8 p90 -78.33 -22.38 48.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 62.140000000000001 110.979 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -51.42 -34.96 37.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.633 1.208 . . . . 63.450000000000003 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 430' ' ' ASP . 10.5 m -83.88 -173.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 73.540000000000006 109.345 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 434' ' ' HIS . . . . . 0.609 ' CE1' ' HA3' ' A' ' 437' ' ' GLY . 2.3 p-80 -97.84 -37.73 9.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 75.439999999999998 109.622 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 158.81 -40.21 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 74.549999999999997 110.991 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -125.57 23.69 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 73.040000000000006 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLY . . . . . 0.609 ' HA3' ' CE1' ' A' ' 434' ' ' HIS . . . -89.85 15.61 58.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 55.43 110.948 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.54 -74.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 0.787 . . . . 73.420000000000002 110.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 1.114 HD21 ' CE2' ' A' ' 427' ' ' PHE . 1.3 pp -126.54 152.48 46.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 64.230000000000004 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.5 t -39.66 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 72.340000000000003 109.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.713 ' N ' HD12 ' A' ' 439' ' ' LEU . 53.0 t -179.16 149.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 74.129999999999995 108.331 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.855 HD23 ' N ' ' A' ' 443' ' ' GLN . 0.2 OUTLIER -54.15 -47.24 72.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 70.329999999999998 109.329 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.855 ' N ' HD23 ' A' ' 442' ' ' LEU . 29.5 mt-30 -55.24 -19.04 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 62.329999999999998 110.405 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 19.2 t0 -69.71 -41.07 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 54.539999999999999 109.331 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -71.47 -26.49 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 44.100000000000001 109.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.422 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.2 mt -57.9 -26.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 109.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 -57.17 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 74.030000000000001 109.24 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -59.55 -57.24 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 64.430000000000007 109.644 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.457 ' HB3' ' HB1' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -73.43 156.64 38.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.400000000000006 109.944 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -71.03 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 65.530000000000001 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.567 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 6.1 m-85 -118.51 128.1 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 72.209999999999994 111.062 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.849 HG23 HG12 ' A' ' 398' ' ' VAL . 42.6 mm -69.26 127.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.120000000000005 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.94 HD12 ' CD2' ' A' ' 397' ' ' PHE . 8.3 mt -104.07 112.8 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 65.120000000000005 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 486' ' ' VAL . 1.8 mm? -92.46 97.86 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 75.040000000000006 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.641 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.7 tp -65.72 80.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 52.119999999999997 109.286 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 488' ' ' PRO . 13.6 mt -68.47 98.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 65.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.1 p -132.83 159.64 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 71.540000000000006 110.393 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 2.7 p -59.53 -15.31 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 52.119999999999997 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -100.9 19.87 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 71.239999999999995 109.249 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.977 ' CZ ' HD12 ' A' ' 400' ' ' LEU . 33.0 t80 -154.23 165.78 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 74.150000000000006 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.43 142.19 40.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 75.340000000000003 109.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.8 m -93.96 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 73.400000000000006 108.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 462' ' ' CYS . 40.1 mtp180 -38.16 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 73.349999999999994 110.291 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 465' ' ' SER . 1.4 tm? -82.96 -62.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 71.150000000000006 109.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.939 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.5 p -38.53 -42.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 109.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 469' ' ' VAL . 7.0 tt -69.92 -57.78 4.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 73.319999999999993 109.31 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 471' ' ' GLN . 2.1 t60 -42.9 -59.03 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 70.319999999999993 109.636 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.512 ' HG3' HD22 ' A' ' 464' ' ' LEU . 24.5 mt-30 -46.13 -33.9 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 73.239999999999995 110.362 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 465' ' ' SER . 39.1 t -78.06 -67.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 63.530000000000001 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 472' ' ' ALA . 2.7 m120 -43.13 -67.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 75.040000000000006 109.316 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 467' ' ' HIS . 1.1 pp0? -38.25 -30.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.617 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -79.44 -53.23 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 61.32 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.665 ' HE3' ' CG1' ' A' ' 469' ' ' VAL . 9.2 mtt -47.67 -58.96 3.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 74.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -58.28 -15.34 9.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 110.989 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.2 t -90.9 -21.05 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 71.040000000000006 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 47.4 t30 -141.72 86.92 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.2 mt -110.43 -20.85 12.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.32 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.5 t -76.19 0.19 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 70.329999999999998 110.418 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 12.0 mmt85 -103.44 -73.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 70.219999999999999 110.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.492 ' NE2' ' ND2' ' A' ' 476' ' ' ASN . 0.7 OUTLIER -117.28 -36.45 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 44.99 41.06 7.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 51.229999999999997 110.967 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.3 m -111.34 98.13 38.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 42.450000000000003 109.983 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.532 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.5 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 72.450000000000003 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -94.3 16.77 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 50.32 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.2 m -92.48 17.76 9.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 74.120000000000005 108.274 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 1.023 ' O ' HD13 ' A' ' 487' ' ' ILE . 85.7 t -104.63 130.21 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 1.023 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.1 mm -133.42 91.62 26.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 64.319999999999993 109.315 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.49 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.8 Cg_endo -74.98 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.477 1.778 . . . . 72.310000000000002 111.057 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 412' ' ' VAL . 5.6 t80 -90.75 168.83 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 73.519999999999996 110.959 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -152.89 98.73 2.79 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.422 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.06 166.41 29.19 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.543 1.812 . . . . 51.229999999999997 111.045 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 492' ' ' LEU . 4.0 mp -69.72 -34.95 74.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 51.140000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 408' ' ' ILE . 30.4 mm-40 -54.38 -35.35 62.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 70.329999999999998 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 8.7 m -119.06 179.29 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 53.009999999999998 109.956 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.455 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.88 165.85 18.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.405 1.066 . . . . 71.329999999999998 110.04 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.681 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.95 -35.27 3.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 61.210000000000001 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.7 71.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 55.399999999999999 109.343 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.34 -14.72 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 70.140000000000001 110.32 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 462' ' ' CYS . 1.3 mt -101.39 170.62 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.129999999999995 109.372 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.0 m -64.38 154.39 35.67 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.41 1.069 . . . . 64.129999999999995 109.973 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 17.5 m -67.74 -9.25 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.5 m-20 -81.41 -35.39 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.540000000000006 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.812 ' O ' HD13 ' A' ' 507' ' ' LEU . 26.8 m -43.0 -50.03 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 71.25 110.414 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -51.15 -38.01 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 54.420000000000002 109.277 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.0 t -81.61 -23.7 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.25 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 503' ' ' THR . 90.0 mt -67.49 -39.35 85.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.265 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.53 25.25 9.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.349999999999994 109.323 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.96 -31.68 71.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 55.119999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -90.6 -21.53 36.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 32.100000000000001 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' ' 507' ' ' LEU . 9.2 mt -80.84 -171.75 3.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 64.239999999999995 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 513' ' ' LEU . 55.3 t -116.73 103.95 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 109.22 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -71.56 100.51 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 73.409999999999997 110.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.799 HD22 ' CG2' ' A' ' 487' ' ' ILE . 2.3 mp -71.91 137.14 47.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 62.210000000000001 109.36 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.4 m-20 -122.73 167.7 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 75.140000000000001 109.36 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.9 tt0 -123.43 5.91 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 54.310000000000002 110.324 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.434 ' NE2' ' OD2' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -122.96 -0.22 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 72.150000000000006 109.528 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.74 163.24 14.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 70.209999999999994 110.039 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.92 -0.55 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 63.009999999999998 110.23 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.67 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 64.5 109.364 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.9 t80 -40.07 -35.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.400000000000006 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -55.17 -47.39 75.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.548 1.155 . . . . 62.439999999999998 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.722 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.2 mpt_? -73.74 -21.18 60.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 75.310000000000002 110.339 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.2 mmmt -74.18 -40.87 62.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 50.32 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 513' ' ' LEU . 1.2 p -79.24 -45.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 74.430000000000007 109.287 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.28 -10.95 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.129999999999995 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.1 m-20 -86.34 -53.64 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.526 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.2 t -77.37 -55.2 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 73.420000000000002 110.507 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.88 56.21 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 75.409999999999997 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.985 ' O ' HD23 ' A' ' 533' ' ' LEU . 76.9 mttt -64.75 160.82 50.81 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.28 17.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.739 . . . . 35.530000000000001 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.42 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 7.2 p-80 -90.43 -11.79 39.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.499 1.125 . . . . 64.319999999999993 109.561 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.495 ' NH2' HH12 ' A' ' 536' ' ' ARG . 26.6 mmm180 -101.91 -7.28 22.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.430000000000007 110.275 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.5 mm? -88.48 -35.84 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 72.219999999999999 109.336 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -81.9 -42.46 19.49 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 62.310000000000002 110.243 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 538' ' ' ALA . . . -51.24 -22.47 2.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.561 1.163 . . . . 54.119999999999997 109.299 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.495 HH12 ' NH2' ' A' ' 532' ' ' ARG . 0.0 OUTLIER -62.38 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 110.343 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 535' ' ' ALA . . . -61.14 -15.1 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 65.540000000000006 109.331 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 13.2 mtm -95.56 -21.42 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 73.209999999999994 111.01 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -77.18 -27.09 53.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.993 -1.114 . . . . 72.510000000000005 107.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 542' ' ' LYS . 6.3 ptp180 -76.65 -24.12 53.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 74.299999999999997 110.189 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 541' ' ' ARG . 10.6 mmtp -69.44 -40.4 77.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 63.43 109.166 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.85 -29.45 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 73.310000000000002 110.355 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -79.06 -50.77 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 110.357 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 34.420000000000002 109.29 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 386' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 386' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.45 0.167 . . . . 70.349999999999994 110.999 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -113.45 147.78 37.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 64.340000000000003 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.6 t -134.98 10.87 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 50.399999999999999 109.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 389' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 391' ' ' GLU . 76.7 p -124.4 18.26 8.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.120000000000005 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 15.9 p -42.88 97.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.409999999999997 110.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 391' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 389' ' ' SER . 4.6 pt-20 -89.17 -171.21 3.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 54.119999999999997 110.25 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -40.4 160.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.430000000000007 110.341 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.578 ' CE ' ' CE1' ' A' ' 395' ' ' TYR . 4.8 tmtt? -101.69 132.39 47.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 74.400000000000006 109.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.511 ' CD2' ' HD3' ' A' ' 537' ' ' LYS . 79.0 t80 -159.5 157.45 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 64.510000000000005 111.024 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 11.8 m-30 -102.59 132.68 48.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 73.430000000000007 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.883 ' OD1' HD13 ' A' ' 533' ' ' LEU . 20.2 m-80 -115.9 -1.93 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.364 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 1.09 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.5 p90 -178.03 160.99 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 74.0 111.033 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 445' ' ' ALA . 2.3 t -122.81 105.36 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 60.409999999999997 109.365 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 453' ' ' ILE . 46.0 mt -71.84 91.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.8 HD22 ' HB3' ' A' ' 427' ' ' PHE . 0.0 OUTLIER -69.86 103.38 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.675 ' CB ' HD23 ' A' ' 455' ' ' LEU . 25.1 p80 -137.87 -168.97 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.555 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.833 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.75 141.79 29.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 51.43 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -54.77 -15.8 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 54.340000000000003 110.249 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.409 ' C ' ' OD2' ' A' ' 405' ' ' ASP . . . -94.55 17.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 53.340000000000003 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.833 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -139.31 36.34 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 64.150000000000006 109.32 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.551 ' HG3' HD13 ' A' ' 410' ' ' LEU . 18.8 tt0 -64.94 -71.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 73.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.497 ' CE1' HG13 ' A' ' 408' ' ' ILE . 24.9 p-80 -36.81 -39.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.349999999999994 109.623 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.497 HG13 ' CE1' ' A' ' 407' ' ' HIS . 67.3 mt -58.23 -60.74 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 53.200000000000003 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -54.25 -49.34 69.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 73.140000000000001 109.309 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 406' ' ' GLU . 10.1 mp -60.76 -15.11 26.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.279 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 408' ' ' ILE . 11.0 ttp180 -80.62 -21.71 41.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 73.519999999999996 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 413' ' ' ARG . 3.6 t -96.72 -51.65 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 74.109999999999999 109.309 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 412' ' ' VAL . 9.7 mtm180 -31.01 -58.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 74.049999999999997 110.297 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 15.6 mt-10 -66.32 -52.86 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 63.32 110.273 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.24 -34.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.049999999999997 109.372 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 1.007 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -69.61 -50.84 40.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 71.129999999999995 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 62.8 mt-10 -40.02 -28.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.357 1.036 . . . . 60.149999999999999 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 416' ' ' LEU . . . -74.87 -50.89 15.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.179 . . . . 65.209999999999994 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -61.12 -46.27 91.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.11 -65.91 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.968 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 1.007 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.6 p -55.11 144.14 50.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 72.530000000000001 109.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.779 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.02 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 71.239999999999995 111.042 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.483 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.4 OUTLIER -56.89 -42.37 79.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 63.310000000000002 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.711 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.47 -91.02 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.404 1.065 . . . . 61.520000000000003 111.01 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.42 179.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 0.717 . . . . 32.5 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.7 p -152.42 160.56 43.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 110.437 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.8 ' HB3' HD22 ' A' ' 400' ' ' LEU . 5.8 t80 -125.96 142.32 51.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 64.530000000000001 110.99 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 58.3 m -119.54 149.83 41.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 71.439999999999998 108.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.86 147.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 74.409999999999997 110.302 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.76 19.16 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 61.439999999999998 109.356 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -104.3 11.78 34.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.519999999999996 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -126.36 -43.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 74.420000000000002 110.339 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 435' ' ' GLY . 3.3 m -67.28 177.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 72.430000000000007 109.377 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -42.88 -49.63 5.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 63.520000000000003 109.607 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' GLY . . . . . 0.463 ' H ' HG23 ' A' ' 433' ' ' VAL . . . 178.48 -113.07 0.39 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 74.310000000000002 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 65.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 75.109999999999999 110.308 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -123.69 12.68 8.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -81.83 -56.85 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 70.340000000000003 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 441' ' ' CYS . 3.7 pp -118.03 175.69 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.25 109.2 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.408 ' N ' HD12 ' A' ' 439' ' ' LEU . 0.7 OUTLIER -51.29 -71.78 0.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.422 1.076 . . . . 71.200000000000003 109.962 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.702 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.8 m -161.87 160.17 27.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 63.409999999999997 108.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 468' ' ' GLN . 1.5 tm? -60.29 -44.51 95.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 64.340000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 446' ' ' ILE . 2.7 mt-30 -75.18 -26.91 59.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.420000000000002 110.29 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.12 -8.84 49.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 72.030000000000001 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.605 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -81.48 -9.55 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 43.299999999999997 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 tt -92.54 -16.29 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 74.120000000000005 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.06 -33.76 8.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 51.439999999999998 109.208 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -78.73 1.0 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.606 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 26.4 m -148.74 160.39 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 41.420000000000002 109.958 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.424 ' HA ' HH21 ' A' ' 536' ' ' ARG . . . -65.29 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.605 1.191 . . . . 54.43 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 485' ' ' CYS . 16.5 m-30 -119.07 147.03 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 73.140000000000001 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CG1' HG13 ' A' ' 446' ' ' ILE . 2.1 mm -85.63 140.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.200000000000003 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 1.09 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.9 mt -110.74 128.31 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 65.040000000000006 109.264 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 453' ' ' ILE . 6.6 mt -101.22 99.28 9.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 73.019999999999996 109.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 489' ' ' PHE . 14.9 tp -76.27 89.97 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.353 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.4 mt -71.24 99.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 62.039999999999999 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 46.8 p -131.94 149.26 52.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.413 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 24.2 p -58.6 -16.22 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 53.210000000000001 109.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -90.47 -24.5 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 74.400000000000006 109.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.763 ' CE1' HD12 ' A' ' 400' ' ' LEU . 58.1 t80 -109.99 170.09 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 60.539999999999999 110.935 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.561 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.9 m-20 -116.58 142.07 47.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.400000000000006 109.326 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.27 -56.61 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 52.049999999999997 108.263 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 0.1 OUTLIER -39.51 -32.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.510000000000005 110.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.0 OUTLIER -70.5 -65.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.239999999999995 109.365 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.494 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -50.01 -59.75 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 54.140000000000001 110.002 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.5 OUTLIER -51.68 -23.11 4.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 75.209999999999994 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 27.5 t60 -90.46 -26.73 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.662 1.226 . . . . 62.420000000000002 109.578 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.86 ' HB3' HD11 ' A' ' 442' ' ' LEU . 5.9 mt-30 -80.63 -61.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 110.392 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.615 HG22 ' HE3' ' A' ' 473' ' ' MET . 13.7 p -49.96 -54.07 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.266 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.626 ' OD1' HD22 ' A' ' 466' ' ' LEU . 2.6 m120 -47.03 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 65.040000000000006 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.639 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 26.6 mm-40 -39.24 -46.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 53.350000000000001 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 52.25 109.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.615 ' HE3' HG22 ' A' ' 469' ' ' VAL . 6.2 mtt -59.91 -71.69 0.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.544 1.153 . . . . 73.140000000000001 110.979 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.639 ' HE2' ' HA ' ' A' ' 471' ' ' GLN . 1.2 ptm -50.25 -21.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 64.5 110.938 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 5.0 t -74.14 -48.13 31.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.436 ' CG ' ' O ' ' A' ' 476' ' ' ASN . 53.0 p-10 -122.11 70.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 70.230000000000004 109.362 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 474' ' ' MET . 14.2 mt -72.54 -33.43 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 74.219999999999999 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 12.7 t -69.54 -6.65 32.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 72.230000000000004 110.366 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -77.04 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.768 ' NE2' ' H ' ' A' ' 482' ' ' SER . 0.0 OUTLIER -115.54 -31.84 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 74.219999999999999 110.257 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 37.38 45.06 1.26 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.49 1.119 . . . . 62.520000000000003 111.009 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' SER . . . . . 0.768 ' H ' ' NE2' ' A' ' 480' ' ' GLN . 74.0 m -115.73 87.67 18.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 72.329999999999998 110.018 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.55 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.89 0.44 8.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.478 1.778 . . . . 74.209999999999994 111.076 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.85 32.33 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 72.010000000000005 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 451' ' ' PHE . 13.3 p -113.27 8.85 18.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 62.219999999999999 108.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.405 HG22 ' HE3' ' A' ' 473' ' ' MET . 2.1 t -87.33 109.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.639 HG22 HD22 ' A' ' 513' ' ' LEU . 2.5 mm -114.67 97.37 46.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.354 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 18.4 Cg_endo -74.93 103.95 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.551 1.816 . . . . 74.439999999999998 110.979 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.781 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.2 t80 -84.61 166.51 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 111.003 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.5 tm? -149.69 102.06 3.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 74.25 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.0 Cg_endo -75.05 158.26 42.09 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.42 1.747 . . . . 74.239999999999995 110.938 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.808 HD11 ' CD ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -67.2 -21.43 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 75.5 109.254 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.89 -34.45 76.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 110.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 22.3 m -117.18 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 50.409999999999997 110.004 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.05 165.55 18.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 109.954 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -33.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.575 1.829 . . . . 52.340000000000003 110.987 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.95 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.324 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 2.7 mt-30 -66.45 -9.69 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 110.361 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' A' ' 503' ' ' THR . 6.9 mt -104.04 169.94 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 63.439999999999998 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 501' ' ' SER . 2.2 t -65.49 175.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.230000000000004 109.985 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 500' ' ' SER . 68.4 m -81.66 -13.38 57.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.040000000000006 109.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 505' ' ' SER . 1.4 p30 -79.19 -38.96 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 73.349999999999994 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.859 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.2 m -42.44 -28.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 74.209999999999994 110.497 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.125 . . . . 71.549999999999997 109.259 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.9 m -72.19 -22.74 61.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.540000000000006 110.012 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 503' ' ' THR . 47.1 mt -69.88 -32.43 70.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.430000000000007 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.56 14.99 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 62.5 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.3 t -74.24 106.48 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.409 1.068 . . . . 74.299999999999997 109.936 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.57 11.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.41 -172.33 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 0.716 . . . . 74.25 109.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.58 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.2 t -113.32 99.59 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.248 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 11.4 ttp-105 -72.88 128.7 36.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.341 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.639 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -97.1 138.61 34.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 65.439999999999998 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.434 ' OD2' ' NE2' ' A' ' 516' ' ' HIS . 0.9 OUTLIER -142.82 143.37 32.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 70.439999999999998 109.34 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.808 ' CD ' HD11 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -78.88 -35.22 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 53.520000000000003 110.292 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.7 ' ND1' HD23 ' A' ' 492' ' ' LEU . 0.3 OUTLIER -88.33 14.45 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 75.140000000000001 109.674 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -97.86 118.27 34.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 74.239999999999995 110.012 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -74.68 -1.87 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 74.200000000000003 110.401 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.98 -28.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 63.229999999999997 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.502 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 0.2 OUTLIER -39.72 -35.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 73.340000000000003 111.032 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.44 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.43 -47.27 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.425 1.078 . . . . 51.329999999999998 109.36 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.8 mpt_? -73.15 -20.1 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 73.040000000000006 110.197 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 21.4 mmmt -74.66 -47.03 34.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 419' ' ' LEU . 1.8 p -72.95 -32.56 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.248 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.54 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.342 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 14.2 m-20 -98.84 -28.74 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.349999999999994 109.311 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 2.7 t -101.53 -51.07 3.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 110.382 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.742 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.2 m-85 -96.65 62.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 73.099999999999994 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 32.8 mttt -70.21 155.64 93.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 74.120000000000005 110.962 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.455 ' ND1' ' CD ' ' A' ' 532' ' ' ARG . 9.6 p80 -72.43 -5.5 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 109.563 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.455 ' CD ' ' ND1' ' A' ' 531' ' ' HIS . 1.6 mpt_? -101.11 -49.71 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 110.302 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.883 HD13 ' OD1' ' A' ' 396' ' ' ASN . 1.9 mt -54.42 -59.83 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 64.200000000000003 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.0 -40.18 63.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 110.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -73.33 -20.99 60.66 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 75.25 109.221 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 532' ' ' ARG . 5.1 mmm180 -83.63 -12.1 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 61.229999999999997 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 394' ' ' PHE . 19.8 mmmt -83.45 -9.67 58.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 63.549999999999997 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -70.93 -48.42 53.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 64.540000000000006 109.337 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.417 ' CE ' ' HD2' ' A' ' 536' ' ' ARG . 60.0 mtm -64.86 -19.93 66.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.354 1.034 . . . . 72.299999999999997 110.959 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -23.7 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.340000000000003 108.091 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -77.78 -20.95 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 74.230000000000004 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -71.67 -15.64 62.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.25 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.05 -20.45 38.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 70.040000000000006 110.311 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -77.86 -36.02 50.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 75.329999999999998 110.361 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 70.040000000000006 109.317 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.189 . . . . 74.340000000000003 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.45 106.0 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 71.129999999999995 110.261 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 31.9 p -91.59 9.34 32.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 75.120000000000005 109.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 59.1 p -120.93 18.77 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 41.59 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 62.340000000000003 110.009 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.53 -174.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 62.530000000000001 110.215 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -137.5 166.9 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 63.530000000000001 110.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 395' ' ' TYR . 16.5 ttpp -60.32 154.8 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 43.299999999999997 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 544' ' ' GLN . 98.4 m-85 -59.47 91.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 71.319999999999993 111.03 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 6.9 m-30 -105.68 139.57 40.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 72.209999999999994 110.929 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 17.8 m120 -119.97 -3.2 10.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 63.229999999999997 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.833 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.1 p90 -177.95 149.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 75.310000000000002 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.911 ' CG1' HG23 ' A' ' 452' ' ' ILE . 1.6 p -113.78 109.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.150000000000006 109.306 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.552 HG13 ' CD1' ' A' ' 397' ' ' PHE . 61.3 mt -83.71 96.24 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 52.409999999999997 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 8.2 mt -75.39 133.44 41.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 73.040000000000006 109.282 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -162.71 -174.19 3.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.451 1.095 . . . . 74.209999999999994 109.571 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.458 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -84.63 -158.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 73.340000000000003 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -99.18 -19.04 17.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 110.318 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -103.56 17.1 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.281 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.52 26.34 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 64.340000000000003 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.641 ' HG3' HD13 ' A' ' 410' ' ' LEU . 14.3 tt0 -65.36 -74.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.540000000000006 110.223 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 408' ' ' ILE . 10.1 p-80 -39.26 -43.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 74.230000000000004 109.565 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.502 HG13 ' CE1' ' A' ' 407' ' ' HIS . 68.7 mt -52.43 -49.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 55.219999999999999 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.67 -49.28 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 45.299999999999997 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.641 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.9 mp -62.38 -13.87 33.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.420000000000002 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 407' ' ' HIS . 13.6 ttp85 -85.1 -16.39 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.706 HG21 ' CE2' ' A' ' 489' ' ' PHE . 19.0 t -96.39 -51.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 64.340000000000003 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.5 mtm180 -36.71 -40.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 75.219999999999999 110.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.24 -54.04 10.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -23.68 6.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 54.100000000000001 109.296 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 16.5 mt -73.98 -35.4 64.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.3 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.58 -8.15 56.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 110.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -94.5 -5.32 46.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 53.229999999999997 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.673 HD13 HG11 ' A' ' 524' ' ' VAL . 4.1 mt -117.38 -44.89 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.244 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 173.03 -68.68 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 75.319999999999993 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.0 OUTLIER -48.78 144.45 7.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 71.230000000000004 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.789 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.1 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.528 1.804 . . . . 73.430000000000007 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.8 OUTLIER -70.06 -18.35 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.520000000000003 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 59.33 -97.33 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 62.009999999999998 110.963 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 164.02 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 44.43 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -152.07 153.57 34.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 72.239999999999995 110.375 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.84 ' CD2' HD22 ' A' ' 439' ' ' LEU . 1.9 m-30 -118.18 91.5 3.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 44.240000000000002 111.07 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.03 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 72.230000000000004 108.317 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 427' ' ' PHE . 4.9 tt0 -61.19 123.07 16.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 72.349999999999994 110.199 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -143.99 127.61 17.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 109.352 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -96.34 9.39 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 72.439999999999998 110.9 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -79.78 -34.34 39.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 73.200000000000003 110.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 158.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 41.25 109.325 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -41.18 -45.5 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 73.420000000000002 109.6 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 102.1 -19.77 47.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 64.439999999999998 111.066 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.89 1.94 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 64.200000000000003 110.303 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -122.13 -0.93 10.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.395 1.059 . . . . 71.120000000000005 111.063 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -94.92 -50.77 4.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 73.349999999999994 110.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.84 HD22 ' CD2' ' A' ' 427' ' ' PHE . 3.5 pp -129.46 -164.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 75.430000000000007 109.272 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 439' ' ' LEU . 40.4 m -87.11 -70.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 110.102 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 2.0 t -172.88 161.92 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 108.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 442' ' ' LEU . 0.4 OUTLIER -62.59 -54.36 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 109.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.782 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 29.5 mt-30 -69.16 -7.08 33.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 61.049999999999997 110.43 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.649 ' OD1' ' CD2' ' A' ' 448' ' ' HIS . 0.8 OUTLIER -68.14 -14.31 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.409999999999997 109.339 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -103.84 -34.56 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.425 HG13 HD11 ' A' ' 452' ' ' ILE . 66.9 mt -69.33 -19.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 43.520000000000003 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -104.03 -58.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 75.540000000000006 109.354 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.649 ' CD2' ' OD1' ' A' ' 444' ' ' ASP . 0.6 OUTLIER -68.23 -62.58 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 72.040000000000006 109.603 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -70.66 157.58 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 63.399999999999999 110.056 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -65.57 -78.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 62.109999999999999 109.371 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.04 146.96 48.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 111.015 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.911 HG23 ' CG1' ' A' ' 398' ' ' VAL . 8.8 mm -79.3 138.69 19.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.299999999999997 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 397' ' ' PHE . 95.4 mt -113.42 113.56 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 465' ' ' SER . 11.8 mt -89.56 106.66 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 72.349999999999994 109.323 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 399' ' ' ILE . 6.9 tp -75.2 79.48 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 53.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 488' ' ' PRO . 6.2 mt -62.12 92.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 74.310000000000002 109.214 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.507 HG22 ' CG ' ' A' ' 491' ' ' PRO . 82.4 p -131.86 149.8 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 64.239999999999995 110.418 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.2 t -59.53 -15.68 19.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.065 . . . . 73.400000000000006 109.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.0 m-20 -90.0 -21.7 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.219999999999999 109.212 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 401' ' ' HIS . 32.6 t80 -112.68 172.34 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 75.349999999999994 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 36.6 t0 -112.63 135.6 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 65.230000000000004 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.464 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.5 m -94.03 -50.13 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 108.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -38.56 -41.3 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 75.140000000000001 110.302 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' A' ' 468' ' ' GLN . 1.7 tm? -77.81 -44.54 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 72.349999999999994 109.231 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.551 ' HB2' HD22 ' A' ' 454' ' ' LEU . 78.4 p -49.36 -27.3 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.010000000000005 109.974 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 506' ' ' LEU . 6.2 tt -88.92 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.37 1.044 . . . . 64.420000000000002 109.235 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -45.69 -28.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.430000000000007 109.547 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.541 ' HB3' HD22 ' A' ' 442' ' ' LEU . 68.9 mt-30 -75.62 -76.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.306 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 486' ' ' VAL . 8.8 p -39.95 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 468' ' ' GLN . 3.9 m120 -74.88 -72.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.400000000000006 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER -41.94 -27.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.430000000000007 110.286 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.782 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -82.79 -52.54 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 65.150000000000006 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.687 ' HE2' HG22 ' A' ' 469' ' ' VAL . 5.9 mtt -50.36 -54.0 24.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.430000000000007 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 471' ' ' GLN . 0.0 OUTLIER -66.89 -8.38 28.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 1.3 t -76.1 -50.3 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 110.014 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -138.1 92.37 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 75.540000000000006 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 473' ' ' MET . 13.9 mt -90.78 -38.06 13.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 75.230000000000004 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.1 t -64.73 -11.14 32.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 73.510000000000005 110.407 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.406 ' HG2' ' NE2' ' A' ' 480' ' ' GLN . 0.0 OUTLIER -77.5 -74.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 74.25 110.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 446' ' ' ILE . 0.1 OUTLIER -110.26 -27.37 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 110.323 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 40.62 67.51 0.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.555 1.16 . . . . 74.040000000000006 111.077 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.0 t -127.77 91.59 44.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 70.340000000000003 109.954 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.44 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -75.08 0.61 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.513 1.796 . . . . 65.140000000000001 111.0 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 43.36 2.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 29.2 p -111.53 30.3 7.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 51.539999999999999 108.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 469' ' ' VAL . 2.2 t -123.13 123.14 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 60.43 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.3 mm -132.59 96.84 18.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.388 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.517 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -75.0 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.381 1.727 . . . . 72.230000000000004 110.967 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.706 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.01 161.72 27.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.329999999999998 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LEU . 0.7 OUTLIER -141.52 97.96 6.61 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.402 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.507 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -74.96 150.58 38.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 75.209999999999994 111.014 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.634 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.2 mt -64.08 -17.13 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -73.19 -24.12 60.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 110.236 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.41 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.3 m -124.39 -178.5 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 63.32 109.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.18 159.14 43.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 70.319999999999993 110.009 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.422 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.0 -27.4 10.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.464 1.77 . . . . 72.109999999999999 110.978 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.25 72.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.57 -11.22 59.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 110.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.47 HD12 HG21 ' A' ' 503' ' ' THR . 2.3 mt -98.23 165.11 12.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 51.409999999999997 109.289 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.86 159.41 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 65.209999999999994 109.939 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.4 m -69.45 -11.53 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 505' ' ' SER . 24.9 m-20 -82.47 -34.05 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 72.430000000000007 109.332 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.884 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.8 m -45.32 -25.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 72.349999999999994 110.4 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -71.56 -44.42 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 63.32 109.316 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 502' ' ' ASP . 5.5 t -79.59 -13.36 59.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 62.140000000000001 110.041 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 503' ' ' THR . 34.0 mt -79.84 -32.15 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 71.230000000000004 109.311 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.8 pp -109.88 14.01 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.409999999999997 109.38 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 7.7 p -56.64 101.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 72.040000000000006 110.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 110.45 -25.56 15.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.446 1.091 . . . . 75.140000000000001 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 510' ' ' LEU . 14.5 mt -58.05 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 64.099999999999994 109.239 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 513' ' ' LEU . 50.5 t -116.14 92.14 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 61.240000000000002 109.39 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.57 128.93 37.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 110.284 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.671 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -110.39 145.53 37.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.271 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.481 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.5 m-20 -145.27 133.19 21.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 61.299999999999997 109.37 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.56 ' HB2' HD21 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -76.07 -1.15 24.55 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.536 1.148 . . . . 54.25 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.634 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.4 p-80 -121.3 44.12 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 64.25 109.535 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 520' ' ' PHE . 2.7 t -138.72 126.88 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 70.329999999999998 109.985 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -74.23 -2.78 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 110.411 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.35 -28.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 72.239999999999995 109.353 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.417 ' CB ' ' HB3' ' A' ' 517' ' ' SER . 1.6 t80 -40.51 -34.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 74.030000000000001 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.53 85.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 43.240000000000002 109.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.13 -22.8 60.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 110.302 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.742 ' CD ' HD11 ' A' ' 519' ' ' ILE . 24.0 mmmt -70.8 -43.16 69.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 42.439999999999998 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.673 HG11 HD13 ' A' ' 419' ' ' LEU . 2.7 p -79.4 -41.26 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 52.299999999999997 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -69.7 -9.82 55.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 72.319999999999993 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -85.88 -50.46 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 73.519999999999996 109.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -80.38 -53.99 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 55.539999999999999 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.527 ' CZ ' HD11 ' A' ' 453' ' ' ILE . 60.2 m-85 -86.86 58.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 111.048 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 533' ' ' LEU . 12.4 mmtt -59.86 157.57 28.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -36.44 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.299999999999997 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' CB ' ' A' ' 529' ' ' LYS . 55.8 p-80 -61.83 -16.73 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 72.310000000000002 109.614 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 536' ' ' ARG . 31.6 mmm-85 -99.36 -55.67 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 65.299999999999997 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.8 mm? -40.25 -39.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 109.257 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -76.61 -45.83 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 44.130000000000003 110.341 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 532' ' ' ARG . . . -65.63 -12.94 57.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 53.509999999999998 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 532' ' ' ARG . 19.7 tpp180 -90.62 -35.62 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 73.120000000000005 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 541' ' ' ARG . 0.0 OUTLIER -91.0 -13.68 32.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 64.540000000000006 109.219 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -69.01 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 51.210000000000001 109.257 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 12.6 mtm -92.58 -43.71 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 54.450000000000003 111.053 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -68.74 -52.96 25.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 72.239999999999995 108.054 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.453 ' HD2' ' CD ' ' A' ' 537' ' ' LYS . 36.9 mtt180 -38.98 -40.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 63.219999999999999 110.373 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -62.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 61.119999999999997 109.251 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.67 -31.41 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 64.329999999999998 110.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 394' ' ' PHE . 5.3 mm100 -68.28 -26.31 65.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.209999999999994 110.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 63.039999999999999 109.216 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.527 0.203 . . . . 72.329999999999998 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -78.61 137.34 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 110.329 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 34.8 m -90.17 19.66 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 64.040000000000006 110.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 44.6 t -135.08 19.06 3.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 60.420000000000002 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 t -84.05 100.55 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.977 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -85.09 178.84 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 71.519999999999996 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -91.84 -172.64 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 71.340000000000003 110.316 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -88.21 123.75 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.109999999999999 109.263 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.53 ' CD2' ' NZ ' ' A' ' 537' ' ' LYS . 11.9 t80 -159.04 162.51 36.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 74.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 15.8 m-30 -102.09 137.92 39.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 110.964 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.791 ' OD1' HD13 ' A' ' 533' ' ' LEU . 9.6 m-80 -115.41 -9.38 12.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.109999999999999 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.808 ' CD2' HD12 ' A' ' 453' ' ' ILE . 10.8 p90 -169.38 145.69 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 445' ' ' ALA . 2.9 t -112.22 108.75 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 63.329999999999998 109.357 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.496 ' CG2' HD22 ' A' ' 455' ' ' LEU . 35.0 mt -72.87 92.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.226 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.582 HD21 ' HD2' ' A' ' 427' ' ' PHE . 2.6 mt -72.07 100.66 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 72.349999999999994 109.248 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.786 ' CB ' HD23 ' A' ' 455' ' ' LEU . 18.1 p-80 -140.32 173.38 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.56 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.719 ' O ' ' CD2' ' A' ' 401' ' ' HIS . . . -65.58 -171.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 52.299999999999997 109.358 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.03 -4.96 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.75 17.17 22.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 72.239999999999995 109.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.627 ' HB3' HD12 ' A' ' 408' ' ' ILE . 0.0 OUTLIER -133.35 36.73 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.439999999999998 109.301 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 410' ' ' LEU . 20.3 tt0 -62.12 -72.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 72.219999999999999 110.261 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 23.7 p-80 -42.32 -36.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 71.420000000000002 109.555 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 405' ' ' ASP . 57.8 mt -58.07 -47.82 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 65.25 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.85 -56.1 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 109.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.0 mp -53.64 -20.42 5.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 109.345 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 18.7 ttp180 -77.09 -32.08 56.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 74.099999999999994 110.309 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.7 t -80.24 -49.68 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.299999999999997 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.481 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.9 mtm180 -36.55 -44.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.329999999999998 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.8 mm-40 -72.33 -57.27 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 61.030000000000001 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.866 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.9 mt -70.42 -44.31 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 75.030000000000001 109.23 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.2 mt-10 -64.3 -11.13 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 110.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.62 -6.27 59.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 72.310000000000002 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.499 ' CD1' HG11 ' A' ' 524' ' ' VAL . 3.5 mt -120.8 -45.12 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 60.200000000000003 109.188 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 178.56 -76.21 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 74.140000000000001 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.866 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -41.13 137.61 1.53 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 74.030000000000001 109.257 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -74.94 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 65.200000000000003 111.078 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.535 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.3 p-10 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 52.130000000000003 109.213 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.73 -96.73 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.15 . . . . 51.25 111.042 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.68 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 0.799 . . . . 64.010000000000005 109.216 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.8 p -152.4 152.56 32.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.441 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 1.017 ' CD1' HD21 ' A' ' 439' ' ' LEU . 7.7 t80 -133.12 129.04 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.957 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 22.1 p -137.24 125.94 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 63.329999999999998 108.346 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -61.85 124.58 21.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 63.409999999999997 110.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.57 ' HB3' HG13 ' A' ' 433' ' ' VAL . 0.8 OUTLIER -158.38 129.16 6.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 71.209999999999994 109.329 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.19 13.8 16.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 72.430000000000007 111.047 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -120.71 -4.29 9.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.549999999999997 110.252 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.57 HG13 ' HB3' ' A' ' 430' ' ' ASP . 0.9 OUTLIER -47.03 171.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 74.310000000000002 109.268 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -48.53 -44.46 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 70.310000000000002 109.6 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 95.95 45.7 2.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.12 . . . . 62.340000000000003 110.988 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -110.33 5.31 21.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.381 0.695 . . . . 74.430000000000007 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 76.66 96.15 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 54.539999999999999 111.036 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.21 -75.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 0.812 . . . . 70.540000000000006 110.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 1.017 HD21 ' CD1' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -133.52 170.29 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 65.099999999999994 109.254 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.592 ' N ' HD12 ' A' ' 439' ' ' LEU . 2.0 m -73.89 -69.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 63.409999999999997 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.548 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 2.5 t -174.51 169.82 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 61.409999999999997 108.251 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -52.31 -33.42 42.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 73.140000000000001 109.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.492 ' N ' HD13 ' A' ' 442' ' ' LEU . 10.5 tp60 -60.88 -32.69 72.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 72.019999999999996 110.419 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.539 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.4 t0 -79.63 -3.3 46.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 75.340000000000003 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.831 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -101.69 -31.3 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 61.25 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 1.018 ' CD1' HG23 ' A' ' 469' ' ' VAL . 1.2 tt -78.88 -15.76 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 73.430000000000007 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.55 -43.29 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 70.329999999999998 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.7 OUTLIER -78.33 -64.61 1.13 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.616 1.197 . . . . 64.010000000000005 109.519 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.4 OUTLIER -70.96 154.0 42.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.420000000000002 109.917 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -61.93 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.107 . . . . 44.520000000000003 109.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 21.7 m-85 -117.75 138.32 52.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 73.400000000000006 111.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.831 HD11 ' C ' ' A' ' 445' ' ' ALA . 6.1 mm -82.22 137.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.18 . . . . 65.010000000000005 109.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.808 HD12 ' CD2' ' A' ' 397' ' ' PHE . 60.4 mt -110.77 122.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 62.420000000000002 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 465' ' ' SER . 12.3 mt -94.81 107.54 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 55.210000000000001 109.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.8 tp -73.09 96.73 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 72.109999999999999 109.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 488' ' ' PRO . 5.5 mt -74.99 97.68 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 71.519999999999996 109.273 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.558 HG22 ' CD ' ' A' ' 491' ' ' PRO . 6.6 p -143.57 147.18 34.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 73.319999999999993 110.427 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -15.5 18.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.987 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 16.2 m120 -85.64 -23.54 27.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 75.120000000000005 109.226 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 461' ' ' ASP . 50.0 t80 -108.11 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 110.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 19.8 m-20 -133.78 105.08 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 74.010000000000005 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 464' ' ' LEU . 8.2 p -63.64 -38.62 91.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 72.450000000000003 108.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -38.63 -31.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 64.040000000000006 110.389 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' A' ' 468' ' ' GLN . 0.8 OUTLIER -83.36 -66.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 70.400000000000006 109.352 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.777 ' HB2' HD22 ' A' ' 454' ' ' LEU . 59.8 p -39.35 -62.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.058 . . . . 73.450000000000003 109.991 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.72 -40.24 27.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.400000000000006 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.2 OUTLIER -68.55 -29.59 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 75.120000000000005 109.615 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 464' ' ' LEU . 79.8 mt-30 -75.03 -70.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.618 1.199 . . . . 71.209999999999994 110.28 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 446' ' ' ILE . 2.8 p -44.91 -51.45 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 61.340000000000003 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -40.23 -50.6 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 64.019999999999996 109.32 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 474' ' ' MET . 14.0 mm-40 -70.89 -41.2 71.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 62.210000000000001 110.335 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 446' ' ' ILE . . . -60.38 -19.92 57.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 52.299999999999997 109.182 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.497 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 35.5 mtt -84.03 -54.12 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.049999999999997 111.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.42 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.7 OUTLIER -71.6 -3.87 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 70.010000000000005 111.033 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.436 ' OG ' ' NE2' ' A' ' 443' ' ' GLN . 76.4 p -80.86 -53.55 6.37 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.55 1.156 . . . . 73.219999999999999 110.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.444 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 11.2 p-10 -134.93 92.93 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 473' ' ' MET . 17.4 mt -89.94 -39.28 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.8 t -65.73 -10.08 33.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.474 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -78.52 -73.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 110.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.1 OUTLIER -113.21 -26.12 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.355 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 37.56 63.0 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 64.439999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.86 95.16 19.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 110.049 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.454 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.464 1.771 . . . . 75.510000000000005 110.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.21 43.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 63.329999999999998 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' CYS . . . . . 0.416 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 26.0 p -111.89 23.58 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 61.310000000000002 108.275 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.852 HG22 HG21 ' A' ' 469' ' ' VAL . 3.7 t -119.02 119.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 70.25 109.25 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.795 ' CG2' HD22 ' A' ' 513' ' ' LEU . 0.4 OUTLIER -120.33 101.34 46.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.430000000000007 109.253 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.0 97.2 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 70.430000000000007 111.077 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 412' ' ' VAL . 4.9 t80 -77.69 169.74 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 111.046 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 496' ' ' PRO . 1.8 tt -157.07 103.42 1.9 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 51.32 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.558 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -75.02 174.13 13.33 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.568 1.826 . . . . 74.430000000000007 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.6 mp -79.43 -25.68 41.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.642 1.214 . . . . 44.229999999999997 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.34 -33.45 75.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 55.25 110.397 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -111.65 -179.58 3.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.485 1.116 . . . . 44.100000000000001 109.977 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.24 162.23 33.37 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 70.030000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.505 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 -25.28 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 64.030000000000001 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -72.13 -24.55 61.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 60.43 109.205 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 499' ' ' LEU . 1.5 mt-30 -73.6 -8.24 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 71.140000000000001 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 499' ' ' LEU . 2.2 mt -100.34 163.73 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 70.019999999999996 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.5 t -74.4 161.18 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.581 1.176 . . . . 72.010000000000005 109.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 75.2 m -68.2 -8.76 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 62.200000000000003 109.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 505' ' ' SER . 9.1 m-20 -84.07 -34.26 24.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 64.409999999999997 109.306 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 506' ' ' LEU . 15.7 m -44.35 -47.99 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.162 . . . . 64.409999999999997 110.402 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.6 -35.59 65.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 22.449999999999999 109.21 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.4 m -84.1 -22.03 31.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.340000000000003 110.05 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 503' ' ' THR . 97.4 mt -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 63.43 109.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.68 24.2 9.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.319999999999993 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.64 99.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 131.38 -24.12 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 44.240000000000002 111.095 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 486' ' ' VAL . 39.5 mt -74.98 179.65 4.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.579 0.811 . . . . 65.049999999999997 109.309 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.78 102.09 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.7 125.31 24.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.607 1.192 . . . . 73.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.795 HD22 ' CG2' ' A' ' 487' ' ' ILE . 0.6 OUTLIER -96.1 129.08 43.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 70.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.68 133.58 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 72.340000000000003 109.359 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 14.8 tp10 -82.11 -23.33 35.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 62.32 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.2 OUTLIER -91.44 5.68 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 73.430000000000007 109.588 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.5 t -89.66 149.4 22.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 74.099999999999994 110.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -8.24 33.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 70.120000000000005 110.284 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.777 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.62 -25.53 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 52.119999999999997 109.276 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.4 OUTLIER -40.13 -35.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 64.510000000000005 110.989 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.02 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.129999999999995 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.735 ' HB2' HD12 ' A' ' 519' ' ' ILE . 9.6 mpt_? -74.7 -19.52 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 110.205 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -76.04 -40.06 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 75.299999999999997 109.229 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 513' ' ' LEU . 1.4 p -80.16 -45.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 73.25 109.223 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.45 -11.43 42.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 73.519999999999996 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.8 m-20 -88.97 -57.05 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.226 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 487' ' ' ILE . 5.9 t -69.98 -54.58 12.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 71.099999999999994 110.401 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.6 m-85 -86.9 41.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 65.019999999999996 111.019 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.682 ' O ' HD23 ' A' ' 533' ' ' LEU . 17.3 mttm -40.44 154.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 74.340000000000003 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 63.43 111.063 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -59.27 -15.89 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 72.239999999999995 109.656 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 536' ' ' ARG . 0.7 OUTLIER -91.22 -42.71 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.25 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.791 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER -54.39 -47.15 73.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -73.57 -45.08 55.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 64.230000000000004 110.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.744 ' HA ' ' HB3' ' A' ' 538' ' ' ALA . . . -67.23 -10.22 48.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 61.32 109.212 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 539' ' ' MET . 22.7 tpt180 -56.2 -48.5 76.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 62.140000000000001 110.276 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.53 ' NZ ' ' CD2' ' A' ' 394' ' ' PHE . 0.0 OUTLIER -100.24 -5.44 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.329999999999998 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.744 ' HB3' ' HA ' ' A' ' 535' ' ' ALA . . . -101.32 -0.58 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 70.349999999999994 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 22.7 ptp -63.33 -37.39 87.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 71.540000000000006 111.032 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.449 ' N ' ' HG3' ' A' ' 539' ' ' MET . 36.3 m95 -77.98 -39.74 41.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.894 -1.15 . . . . 72.230000000000004 107.894 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.5 ' CG ' ' HA ' ' A' ' 538' ' ' ALA . 21.0 mmt180 -38.47 -44.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 110.315 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.13 -27.87 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 63.32 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.08 -30.52 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 64.120000000000005 110.3 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.129999999999995 109.275 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.457 0.17 . . . . 72.510000000000005 110.99 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.57 126.27 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 110.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.3 m -113.83 20.78 15.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 65.439999999999998 109.986 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.2 m -133.33 20.01 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 53.310000000000002 110.047 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.7 t -93.92 171.67 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 65.349999999999994 110.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.46 179.53 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 63.030000000000001 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -114.76 100.2 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 70.319999999999993 110.279 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -148.2 141.52 25.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 70.340000000000003 109.262 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 394' ' ' PHE . 24.2 p90 -119.08 122.37 41.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 62.340000000000003 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -113.73 144.27 43.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 63.5 111.039 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 533' ' ' LEU . 0.0 OUTLIER -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 109.36 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.88 ' CG ' HD12 ' A' ' 453' ' ' ILE . 4.7 p90 -173.8 -177.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 71.120000000000005 111.066 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 398' ' ' VAL . 1.6 t -135.14 93.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 73.010000000000005 109.35 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 397' ' ' PHE . 93.6 mt -69.05 97.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.358 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 427' ' ' PHE . 5.6 mt -80.54 95.06 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.519999999999996 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.5 p80 -123.15 173.14 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.566 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.452 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.47 -160.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 44.119999999999997 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -98.92 -15.01 19.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 73.319999999999993 110.294 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.4 16.58 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 61.119999999999997 109.351 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.562 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.1 OUTLIER -120.27 28.01 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 72.340000000000003 109.375 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.486 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 24.7 tt0 -65.76 -77.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.230000000000004 110.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 408' ' ' ILE . 2.5 p-80 -39.46 -34.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 63.009999999999998 109.61 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 407' ' ' HIS . 64.7 mt -59.44 -53.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 74.230000000000004 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -67.37 -52.24 42.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 54.530000000000001 109.279 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.0 mt -47.8 -24.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 53.399999999999999 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -77.86 -38.86 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.1 t -68.35 -54.63 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 72.409999999999997 109.368 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 416' ' ' LEU . 9.7 mtm180 -37.04 -47.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 110.303 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.4 mm-40 -74.74 -49.22 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.450000000000003 110.285 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -24.86 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.219999999999999 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.943 ' HB3' HG13 ' A' ' 421' ' ' VAL . 13.8 mt -75.68 -35.53 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.019999999999996 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 3.6 mt-10 -66.7 -8.37 27.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -92.06 -6.03 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 53.299999999999997 109.315 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 524' ' ' VAL . 5.9 mt -117.73 -45.01 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 74.120000000000005 109.247 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 172.42 -71.79 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 65.230000000000004 111.026 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.943 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.8 OUTLIER -46.73 137.64 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.606 0.827 . . . . 64.099999999999994 109.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.579 ' HG2' HD22 ' A' ' 396' ' ' ASN . 18.5 Cg_endo -74.96 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.431 1.753 . . . . 71.430000000000007 111.062 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 7.1 p-10 -50.87 -47.75 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 86.45 -101.55 2.63 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.601 1.188 . . . . 72.340000000000003 111.015 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 169.03 173.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 64.140000000000001 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 4.9 p -151.29 120.67 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 73.409999999999997 110.402 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.867 ' O ' HD23 ' A' ' 400' ' ' LEU . 2.3 t80 -94.14 90.45 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 63.299999999999997 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.63 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 32.210000000000001 108.282 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 438' ' ' GLU . 23.5 tp10 -116.43 143.8 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 110.292 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 429' ' ' GLU . 12.5 t0 -40.16 106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 70.329999999999998 109.191 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -75.05 -2.05 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.991 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.67 -19.08 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 70.430000000000007 110.303 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.725 HG21 ' HG2' ' A' ' 438' ' ' GLU . 15.9 m -68.39 -179.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 75.019999999999996 109.303 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -56.09 -60.51 3.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.564 1.165 . . . . 73.219999999999999 109.559 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' GLY . . . . . 0.415 ' O ' ' CD2' ' A' ' 467' ' ' HIS . . . 120.93 47.94 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 70.329999999999998 111.012 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' ARG . . . . . 0.51 ' HD3' ' CE1' ' A' ' 467' ' ' HIS . 5.0 mmm180 -135.07 39.18 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 0.813 . . . . 75.420000000000002 110.366 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 90.44 115.06 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.594 1.184 . . . . 70.129999999999995 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' GLU . . . . . 0.725 ' HG2' HG21 ' A' ' 433' ' ' VAL . 8.3 mt-10 -92.7 -58.61 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 74.400000000000006 110.34 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 439' ' ' LEU . 0.2 OUTLIER -88.92 148.89 23.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 70.040000000000006 109.329 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 16.3 t -65.1 -13.7 58.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.052 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 439' ' ' LEU . 0.1 OUTLIER -94.42 32.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.049999999999997 108.342 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 442' ' ' LEU . 2.0 tm? -74.93 -67.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 63.109999999999999 109.308 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 472' ' ' ALA . 47.1 mt-30 -70.99 -11.12 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 54.109999999999999 110.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.1 t70 -72.06 -13.73 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 72.049999999999997 109.279 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.654 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -87.38 -11.76 48.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 75.450000000000003 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 469' ' ' VAL . 5.2 mt -98.03 -21.51 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.264 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -104.03 -43.82 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.197 . . . . 71.120000000000005 109.283 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 4.5 t-160 -78.7 -56.68 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 75.230000000000004 109.658 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -70.91 153.05 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 60.030000000000001 109.997 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.11 -69.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 41.149999999999999 109.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.571 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 14.7 m-85 -134.99 133.93 39.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.129999999999995 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.654 HD11 ' C ' ' A' ' 445' ' ' ALA . 13.2 mm -69.06 131.63 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 74.349999999999994 109.296 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.88 HD12 ' CG ' ' A' ' 397' ' ' PHE . 82.9 mt -105.92 125.12 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 75.030000000000001 109.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.863 ' CD2' HG13 ' A' ' 486' ' ' VAL . 0.6 OUTLIER -107.28 91.28 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 64.329999999999998 109.206 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 457' ' ' THR . 9.1 tp -62.63 80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 70.140000000000001 109.326 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.66 HD22 ' SG ' ' A' ' 462' ' ' CYS . 8.5 mt -62.49 92.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.349999999999994 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 455' ' ' LEU . 31.5 p -124.76 145.18 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.633 1.208 . . . . 71.140000000000001 110.345 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -18.67 5.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 65.319999999999993 110.051 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.7 -26.67 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.343 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 58.5 t80 -100.97 171.78 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 75.099999999999994 111.085 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 6.2 m-20 -123.97 127.16 47.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 62.229999999999997 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.66 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.3 m -79.05 -50.15 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.020000000000003 108.376 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 16.7 mtp180 -38.73 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 110.411 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.2 tm? -74.26 -75.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 73.209999999999994 109.222 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 400' ' ' LEU . 0.2 OUTLIER -41.77 -59.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 55.109999999999999 110.049 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -49.42 -36.36 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 72.129999999999995 109.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.51 ' CE1' ' HD3' ' A' ' 436' ' ' ARG . 6.7 t60 -76.11 -27.88 57.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 65.549999999999997 109.654 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 3.7 mt-30 -77.0 -66.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 1.052 HG23 HD11 ' A' ' 446' ' ' ILE . 7.1 p -47.36 -52.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.371 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.482 ' N ' HG13 ' A' ' 469' ' ' VAL . 2.2 m120 -40.4 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 73.209999999999994 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 17.8 mm-40 -48.87 -46.82 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 74.400000000000006 110.259 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -52.18 -40.19 61.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 54.210000000000001 109.228 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 3.4 mmt -70.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.040000000000006 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.538 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -58.97 -14.53 9.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 73.209999999999994 111.047 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 41.9 t -91.94 -19.83 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.140000000000001 109.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.731 HD22 ' HD3' ' A' ' 479' ' ' ARG . 3.0 t-20 -143.58 87.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 64.450000000000003 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.7 mt -111.02 -20.96 12.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.226 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.0 t -72.42 -4.13 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 73.219999999999999 110.361 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.731 ' HD3' HD22 ' A' ' 476' ' ' ASN . 0.1 OUTLIER -102.39 -74.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.549999999999997 110.285 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -116.17 -30.61 5.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 110.321 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 37.67 44.62 1.35 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 111.019 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.8 m -111.51 97.81 37.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.434 0.726 . . . . 53.420000000000002 109.979 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.442 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 17.9 Cg_endo -75.09 0.3 9.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 63.039999999999999 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.5 15.78 20.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.12 37.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.863 HG13 ' CD2' ' A' ' 454' ' ' LEU . 13.6 t -121.58 141.56 41.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 72.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.863 HD13 ' O ' ' A' ' 486' ' ' VAL . 5.4 mm -142.43 94.93 6.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 62.109999999999999 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.514 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.564 1.823 . . . . 70.530000000000001 110.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.4 t80 -77.95 169.05 18.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 75.540000000000006 110.953 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.547 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.8 tm? -152.88 103.39 2.66 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.464 1.103 . . . . 70.010000000000005 109.211 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.547 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.01 159.88 40.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 63.310000000000002 110.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 1.025 HD21 ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -69.89 -27.74 65.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 53.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.1 -28.24 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.42 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 29.7 m -117.61 175.73 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 62.43 110.016 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.32 165.56 18.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 51.020000000000003 110.038 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.77 6.87 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.435 1.755 . . . . 62.200000000000003 111.023 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.97 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.01 -6.09 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 75.549999999999997 110.394 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 12.6 mt -98.98 163.66 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 64.299999999999997 109.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 9.9 m -55.41 -179.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 72.319999999999993 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 7.4 t -86.21 -23.24 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 64.310000000000002 110.047 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 505' ' ' SER . 21.3 t0 -77.02 -33.38 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -43.64 -44.94 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.403 1.065 . . . . 75.109999999999999 110.358 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 504' ' ' ALA . . . . . 0.483 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -58.53 -37.25 75.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 42.310000000000002 109.304 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.6 t -82.31 -18.94 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 41.009999999999998 109.965 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 503' ' ' THR . 88.7 mt -71.71 -39.35 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 73.129999999999995 109.3 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -125.97 25.47 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 62.100000000000001 109.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 508' ' ' SER . . . . . 0.483 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.1 OUTLIER -54.44 -31.68 55.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.200000000000003 110.034 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.5 -30.87 5.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 71.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.03 150.04 21.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 51.32 109.363 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 29.4 t -76.04 107.43 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 55.240000000000002 109.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.51 119.19 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 72.349999999999994 110.357 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.755 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.9 tp -102.06 142.88 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 2.2 m-20 -144.59 167.44 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.030000000000001 109.291 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 1.025 ' CD ' HD21 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -106.76 -4.75 19.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 70.0 110.239 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -110.09 31.43 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.439999999999998 109.541 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.9 t -122.56 129.95 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 53.530000000000001 109.99 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -76.9 -1.95 31.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.193 . . . . 73.219999999999999 110.231 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.766 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.8 -27.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 61.310000000000002 109.329 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.91 -35.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 72.439999999999998 111.033 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 419' ' ' LEU . . . -56.29 -47.19 79.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 65.010000000000005 109.285 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.73 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.61 -20.16 60.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 60.229999999999997 110.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.766 ' CD ' HD11 ' A' ' 519' ' ' ILE . 27.9 mmmt -74.34 -44.4 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 41.25 109.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 419' ' ' LEU . 1.3 p -76.34 -43.09 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -68.57 -8.78 44.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 71.010000000000005 109.34 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 7.4 m-20 -89.37 -50.25 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.252 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.554 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.0 t -85.19 -54.35 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 61.009999999999998 110.384 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 67.6 m-85 -86.3 55.77 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 73.430000000000007 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.808 ' O ' HD23 ' A' ' 533' ' ' LEU . 59.4 mttt -64.87 159.63 61.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 109.278 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 73.319999999999993 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -76.27 -3.16 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 71.450000000000003 109.639 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 536' ' ' ARG . 11.4 tpt85 -101.9 -28.85 12.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 110.305 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.1 mm? -72.25 -52.89 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 71.109999999999999 109.215 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.5 pt20 -67.64 -35.9 79.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 61.030000000000001 110.264 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 534' ' ' GLN . . . -71.08 -35.53 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 13.2 tpt180 -77.97 -31.89 51.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 75.010000000000005 110.211 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -88.48 -16.7 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 73.219999999999999 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 534' ' ' GLN . . . -58.56 -28.98 66.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 109.338 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 74.4 mtm -68.69 -21.43 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.450000000000003 110.999 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -97.68 -30.76 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.967 -1.123 . . . . 75.519999999999996 107.967 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 544' ' ' GLN . 0.7 OUTLIER -64.32 -35.74 81.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 70.140000000000001 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 539' ' ' MET . 0.0 OUTLIER -48.12 -35.47 11.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 74.230000000000004 109.242 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.73 -29.45 45.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 74.019999999999996 110.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 541' ' ' ARG . 50.0 mm-40 -73.12 -32.49 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 75.109999999999999 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 75.129999999999995 109.266 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.512 0.196 . . . . 73.219999999999999 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -86.23 -178.24 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.409999999999997 110.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.3 m -100.72 61.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 110.032 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 7.8 t 56.35 47.99 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 70.230000000000004 109.96 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 26.1 p -86.27 83.98 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 75.120000000000005 110.03 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.56 -177.33 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 70.439999999999998 110.264 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' GLN . . . . . 0.597 ' O ' ' CE1' ' A' ' 394' ' ' PHE . 26.3 tt0 -152.78 151.91 31.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 75.030000000000001 110.238 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 123.65 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 44.049999999999997 109.3 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 392' ' ' GLN . 2.7 m-85 -105.43 171.49 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 111.013 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -103.38 168.61 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 73.319999999999993 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.746 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.5 m-80 -111.54 -14.11 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 64.25 109.243 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.838 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.4 p90 -171.7 124.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.065 . . . . 72.439999999999998 111.02 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 452' ' ' ILE . 1.2 p -88.55 112.24 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.030000000000001 109.361 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.769 HD11 ' HE2' ' A' ' 397' ' ' PHE . 47.4 mt -83.4 105.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 74.510000000000005 109.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -86.49 121.84 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 74.150000000000006 109.344 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.1 p80 -152.56 -173.17 4.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 64.310000000000002 109.605 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -85.54 -159.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 64.219999999999999 109.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -99.25 -14.88 19.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.51 17.11 23.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 74.129999999999995 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.82 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.5 OUTLIER -124.45 27.67 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 109.307 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.588 ' HG2' HD13 ' A' ' 410' ' ' LEU . 33.0 tt0 -64.46 -72.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 6.1 p80 -41.44 -36.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.019999999999996 109.6 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 405' ' ' ASP . 56.6 mt -59.11 -49.69 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 52.420000000000002 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -70.4 -57.27 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.439999999999998 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 406' ' ' GLU . 9.5 mp -52.46 -21.4 3.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 72.409999999999997 109.294 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 6.6 ttt85 -79.11 -31.94 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.253 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 416' ' ' LEU . 3.3 t -79.32 -47.94 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.450000000000003 109.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.478 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.5 mtm180 -37.86 -49.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 72.040000000000006 110.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 417' ' ' GLU . 8.0 mm-40 -73.28 -52.59 13.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.617 1.198 . . . . 65.150000000000006 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.1 OUTLIER -48.77 -23.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 73.329999999999998 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.871 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.8 mt -78.84 -39.44 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.459 ' CD ' ' HA ' ' A' ' 422' ' ' PRO . 2.8 mt-10 -65.78 -9.31 27.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.540000000000006 110.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -87.74 -6.73 58.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 24.239999999999998 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.503 ' CD1' HG11 ' A' ' 524' ' ' VAL . 4.0 mt -119.34 -45.11 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.396 1.06 . . . . 74.219999999999999 109.263 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 179.13 -78.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 111.016 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.82 138.06 1.08 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 54.43 109.232 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.99 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 70.340000000000003 110.927 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.516 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 10.2 p-10 -62.22 -42.84 99.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 73.219999999999999 109.308 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.684 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.77 -96.84 1.32 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.44 1.088 . . . . 71.140000000000001 111.042 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.05 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 0.822 . . . . 72.219999999999999 109.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.0 p -152.18 117.63 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 71.209999999999994 110.384 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.891 ' CE1' HD21 ' A' ' 439' ' ' LEU . 1.5 t80 -107.17 92.97 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 44.049999999999997 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 401' ' ' HIS . 14.2 p -101.68 167.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 74.230000000000004 108.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 429' ' ' GLU . . . . . 0.435 ' OE2' ' NH2' ' A' ' 436' ' ' ARG . 41.6 tt0 -98.9 118.18 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 72.430000000000007 110.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 144.67 45.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 109.359 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -110.81 2.35 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 50.049999999999997 110.901 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -76.29 -26.5 55.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 110.34 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 435' ' ' GLY . 27.1 m -70.08 174.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 73.230000000000004 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -52.57 -38.07 59.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 73.230000000000004 109.596 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 433' ' ' VAL . . . 173.58 -135.32 3.2 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.611 1.195 . . . . 62.340000000000003 110.904 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' ARG . . . . . 0.435 ' NH2' ' OE2' ' A' ' 429' ' ' GLU . 12.1 mmt180 -96.63 29.14 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 73.010000000000005 110.287 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -92.61 21.49 38.41 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.436 1.085 . . . . 73.200000000000003 111.049 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.99 -71.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.379 0.693 . . . . 71.209999999999994 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.891 HD21 ' CE1' ' A' ' 427' ' ' PHE . 2.1 pp -134.25 158.12 44.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 74.400000000000006 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.4 t -53.15 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 75.230000000000004 109.98 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 439' ' ' LEU . 5.7 t -154.06 165.57 35.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 75.519999999999996 108.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.783 ' C ' HD22 ' A' ' 442' ' ' LEU . 0.0 OUTLIER -52.34 -27.68 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.321 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.686 ' N ' HD13 ' A' ' 442' ' ' LEU . 27.9 mt-30 -45.73 -25.33 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 74.120000000000005 110.285 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.24 -44.78 95.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 60.229999999999997 109.344 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -66.28 -28.64 68.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 61.399999999999999 109.297 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.527 HD12 HD21 ' A' ' 442' ' ' LEU . 19.2 mt -78.57 -7.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.245 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -104.21 -42.96 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.378 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -96.6 -54.87 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 61.399999999999999 109.62 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.7 OUTLIER -70.62 148.35 48.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 70.430000000000007 109.968 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.39 -76.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.267 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -119.9 132.33 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.239999999999995 110.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 398' ' ' VAL . 33.2 mm -69.24 127.52 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.219999999999999 109.341 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.5 mt -103.49 112.58 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 71.420000000000002 109.239 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 465' ' ' SER . 1.0 OUTLIER -94.61 103.91 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 75.150000000000006 109.374 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 457' ' ' THR . 6.7 tp -69.76 79.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 71.099999999999994 109.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.1 mt -58.93 93.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 74.239999999999995 109.351 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 455' ' ' LEU . 27.6 p -127.22 148.0 50.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 71.540000000000006 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.8 p -57.77 -16.57 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 65.25 110.016 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.99 -23.28 20.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.368 1.043 . . . . 75.519999999999996 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.594 ' CE2' ' OG ' ' A' ' 465' ' ' SER . 38.1 t80 -110.19 166.33 11.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 53.119999999999997 111.005 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 41.9 m-20 -104.23 137.76 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 74.430000000000007 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 456' ' ' LEU . 19.2 p -94.07 -46.3 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 64.420000000000002 108.408 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 463' ' ' ARG . 19.7 mtm105 -45.19 -59.84 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 110.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.593 HD11 ' CD ' ' A' ' 468' ' ' GLN . 2.9 tm? -49.79 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 55.210000000000001 109.243 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.0 OUTLIER -36.97 -54.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 74.439999999999998 109.963 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.7 tm? -54.98 -50.3 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 72.219999999999999 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 464' ' ' LEU . 3.4 m-70 -49.44 -57.23 7.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 71.299999999999997 109.649 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.593 ' CD ' HD11 ' A' ' 464' ' ' LEU . 82.1 mt-30 -50.0 -63.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.292 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.96 HG11 HG22 ' A' ' 486' ' ' VAL . 20.0 t -43.74 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.049999999999997 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLN . 2.6 m120 -40.39 -68.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.387 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 475' ' ' SER . 3.0 mm100 -37.48 -45.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.231 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.573 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 53.240000000000002 109.197 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.805 ' HE1' HG23 ' A' ' 486' ' ' VAL . 2.6 mtt -51.74 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.532 1.145 . . . . 53.350000000000001 111.089 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.731 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -47.77 -22.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 65.150000000000006 111.006 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 14.5 t -82.17 -34.59 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.319999999999993 110.042 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 473' ' ' MET . 52.7 t30 -129.55 89.81 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 74.030000000000001 109.312 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 474' ' ' MET . 9.9 mt -112.36 -20.55 11.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.445 HG23 ' CD ' ' A' ' 479' ' ' ARG . 8.9 t -74.36 -1.75 22.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.5 1.125 . . . . 63.149999999999999 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.445 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.3 OUTLIER -103.79 -74.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 72.519999999999996 110.308 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -116.15 -31.04 5.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 64.109999999999999 110.187 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 41.58 44.96 4.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.054 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.7 m -110.32 99.29 39.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 72.340000000000003 110.038 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.459 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -74.98 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.411 1.743 . . . . 71.209999999999994 110.956 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -94.89 20.64 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.439999999999998 109.285 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 74.7 m -93.6 21.32 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 61.210000000000001 108.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 11.1 t -112.73 126.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.1 mm -137.3 90.38 15.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.083 . . . . 75.450000000000003 109.357 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 103.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 75.400000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.502 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -77.86 164.99 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.040000000000006 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -141.93 98.79 6.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.299 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -74.98 149.08 36.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 63.130000000000003 111.0 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 492' ' ' LEU . 1.7 mt -61.79 -21.31 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 64.409999999999997 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -18.58 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 110.313 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.0 m -130.37 177.98 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 53.229999999999997 110.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.36 162.42 32.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 70.129999999999995 109.979 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.409 ' HB3' ' NH1' ' A' ' 512' ' ' ARG . 18.5 Cg_endo -74.89 -31.9 6.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 70.120000000000005 111.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.89 70.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 109.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 3.0 mt-30 -67.58 -11.64 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 72.540000000000006 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 503' ' ' THR . 1.6 mt -98.82 167.73 10.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.7 m -64.55 156.48 29.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 42.039999999999999 109.96 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 37.4 t -65.96 -10.53 40.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 73.129999999999995 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -80.96 -30.02 35.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 40.299999999999997 109.24 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.717 HG22 HD21 ' A' ' 507' ' ' LEU . 29.8 m -48.15 -49.82 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 74.319999999999993 110.443 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -45.45 -32.46 2.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 64.140000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 10.8 t -90.04 -29.98 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 70.239999999999995 110.047 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 503' ' ' THR . 92.7 mt -57.03 -38.32 72.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 65.129999999999995 109.366 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.717 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -100.3 16.94 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.288 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 12.4 t -51.89 105.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 61.399999999999999 110.025 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 89.88 -31.57 5.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 73.340000000000003 111.049 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 507' ' ' LEU . 9.8 mt -47.42 172.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 0.748 . . . . 70.150000000000006 109.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 487' ' ' ILE . 75.6 t -108.7 99.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 64.510000000000005 109.216 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.481 ' HD3' HD13 ' A' ' 507' ' ' LEU . 12.0 ttp180 -94.71 133.95 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.609 1.193 . . . . 63.140000000000001 110.295 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.64 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -105.29 161.24 14.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 109.179 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.6 m-20 -145.38 133.75 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 492' ' ' LEU . 5.3 tp10 -79.38 3.43 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 110.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.672 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.2 p-80 -124.67 38.57 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.601 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.7 t -133.51 126.54 31.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 60.240000000000002 109.947 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -75.76 -0.85 22.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.312 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.768 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.59 -27.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 70.329999999999998 109.32 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 513' ' ' LEU . 1.4 t80 -40.24 -34.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.549999999999997 110.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 54.100000000000001 109.335 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.743 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.71 -21.84 60.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.019999999999996 110.238 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.768 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.2 mmmt -72.73 -46.1 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 73.040000000000006 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -74.79 -45.79 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 52.229999999999997 109.309 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -65.11 -10.85 33.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 72.409999999999997 109.287 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.9 m-20 -86.23 -53.0 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.634 1.209 . . . . 72.450000000000003 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.4 t -78.98 -55.44 5.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 73.109999999999999 110.413 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.32 56.93 3.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 111.059 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.544 ' O ' HD23 ' A' ' 533' ' ' LEU . 41.6 mttt -72.94 158.51 87.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 75.420000000000002 109.228 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -33.94 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 74.010000000000005 111.061 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 532' ' ' ARG . 8.9 p-80 -69.42 -11.49 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.439999999999998 109.641 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 531' ' ' HIS . 19.3 mmm180 -101.74 -38.2 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.746 HD12 ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? -66.35 -55.71 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.409999999999997 109.218 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.26 -39.3 78.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 51.240000000000002 110.206 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 538' ' ' ALA . . . -70.53 -8.2 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 73.219999999999999 109.288 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.513 ' O ' ' HE1' ' A' ' 539' ' ' MET . 2.4 tpm_? -72.28 -42.05 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.400000000000006 110.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 539' ' ' MET . 22.4 pttt -96.68 -14.16 22.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.413 1.071 . . . . 73.140000000000001 109.372 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 535' ' ' ALA . . . -46.33 -25.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 70.25 109.378 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.513 ' HE1' ' O ' ' A' ' 536' ' ' ARG . 3.6 mpp? -69.4 -49.82 51.75 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 70.239999999999995 110.948 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -72.72 -23.28 60.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.078 -1.082 . . . . 64.019999999999996 108.078 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 544' ' ' GLN . 33.9 mtp85 -69.04 -37.8 78.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 72.439999999999998 110.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 541' ' ' ARG . 0.1 OUTLIER -40.53 -36.01 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 71.349999999999994 109.307 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.29 -50.09 67.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.510000000000005 110.226 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 541' ' ' ARG . 40.7 mm-40 -68.66 -22.19 64.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 74.409999999999997 110.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 71.450000000000003 109.289 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.6 ptp . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.487 0.184 . . . . 71.219999999999999 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.7 105.25 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 64.400000000000006 110.222 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 84.3 p -102.67 15.72 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 71.230000000000004 110.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 20.6 m -128.81 18.17 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 63.329999999999998 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 7.3 t -52.21 141.03 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 54.149999999999999 110.077 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -86.66 178.76 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 54.100000000000001 110.233 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' GLN . . . . . 0.423 ' N ' HE21 ' A' ' 392' ' ' GLN . 0.2 OUTLIER -121.65 177.25 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 72.450000000000003 110.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 395' ' ' TYR . 1.3 tppp? -113.54 156.04 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 75.109999999999999 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.579 ' CZ ' ' ND2' ' A' ' 396' ' ' ASN . 1.3 t80 -87.43 121.67 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.428 1.08 . . . . 73.239999999999995 111.062 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 393' ' ' LYS . 10.9 m-85 -119.85 161.11 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 74.049999999999997 111.022 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.595 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.1 m-80 -114.72 -11.79 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 65.109999999999999 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.714 ' HE2' HD11 ' A' ' 399' ' ' ILE . 27.9 p90 -179.84 113.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 71.409999999999997 111.051 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.6 t -81.09 109.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 64.140000000000001 109.332 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.714 HD11 ' HE2' ' A' ' 397' ' ' PHE . 87.7 mt -77.95 95.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 70.25 109.358 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 427' ' ' PHE . 15.7 tp -78.24 112.21 14.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 20.1 p80 -138.08 -162.51 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.456 1.097 . . . . 74.129999999999995 109.707 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -93.55 -159.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 74.519999999999996 109.205 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.507 ' NH2' ' CZ ' ' A' ' 431' ' ' PHE . 0.1 OUTLIER -99.14 -23.36 15.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 61.439999999999998 110.385 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -102.59 17.07 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 109.285 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.478 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.7 OUTLIER -123.27 28.32 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 109.28 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 34.2 tt0 -66.12 -76.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 72.420000000000002 110.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 406' ' ' GLU . 3.8 p80 -38.22 -37.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 109.611 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 455' ' ' LEU . 28.4 mt -56.25 -54.82 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 109.334 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.42 -44.52 90.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.526 1.141 . . . . 64.349999999999994 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 11.5 mt -60.91 -25.14 66.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 61.32 109.279 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -79.2 -12.75 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.372 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -96.32 -52.89 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 72.010000000000005 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.485 ' CZ ' HD22 ' A' ' 410' ' ' LEU . 10.3 mtm180 -36.71 -42.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.335 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 415' ' ' LYS . 29.6 mt-10 -73.03 -60.67 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 55.310000000000002 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.78 -48.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 65.439999999999998 109.245 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.913 ' HB3' HG13 ' A' ' 421' ' ' VAL . 98.5 mt -47.94 -57.2 6.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 64.430000000000007 109.359 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 5.8 mt-10 -38.53 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 110.262 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.04 -54.1 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.378 1.048 . . . . 64.140000000000001 109.241 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.972 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.77 -45.26 75.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.317 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.36 -67.77 0.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 54.049999999999997 111.063 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.913 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.09 138.15 0.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 54.350000000000001 109.255 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.04 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 63.350000000000001 110.944 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.585 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -64.35 -42.03 96.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.510000000000005 109.267 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.17 -95.38 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 45.130000000000003 111.002 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.77 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 73.150000000000006 109.317 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -151.98 139.87 20.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 64.099999999999994 110.463 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 400' ' ' LEU . 24.1 t80 -119.34 151.42 38.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 110.989 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.65 153.32 30.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 74.019999999999996 108.278 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' GLU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 464' ' ' LEU . 3.9 pt-20 -79.96 -173.35 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.140000000000001 110.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -71.58 101.35 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' PHE . . . . . 0.507 ' CZ ' ' NH2' ' A' ' 403' ' ' ARG . 52.0 t80 -70.49 68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.399 1.062 . . . . 73.430000000000007 110.972 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 64.45 14.31 8.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 71.530000000000001 110.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 18.2 m -89.79 165.48 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 75.239999999999995 109.385 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -48.31 -37.84 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 73.530000000000001 109.656 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.01 2.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.562 1.164 . . . . 24.25 110.924 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -129.73 42.16 3.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 74.239999999999995 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 67.5 64.71 3.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 111.024 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -66.41 -50.65 62.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 61.030000000000001 110.332 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -104.71 -169.87 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 109.283 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.6 m -112.92 -16.03 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.986 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.482 ' N ' HD13 ' A' ' 439' ' ' LEU . 42.7 t -42.21 -48.58 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 73.239999999999995 108.236 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.492 HD23 ' CE2' ' A' ' 427' ' ' PHE . 1.6 tm? -40.45 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.239999999999995 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 447' ' ' ASP . 29.8 mm-40 -61.92 -17.74 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.010000000000005 110.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 441' ' ' CYS . 8.2 t0 -71.62 -5.61 34.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 72.319999999999993 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 1.053 ' HB1' HD12 ' A' ' 452' ' ' ILE . . . -92.82 -36.34 12.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 63.420000000000002 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 473' ' ' MET . 0.1 OUTLIER -101.56 2.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 109.304 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 443' ' ' GLN . 80.9 m-20 -102.02 -48.97 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 51.130000000000003 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -138.53 67.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 64.439999999999998 109.557 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -162.07 114.95 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 110.045 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -39.26 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.476 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 14.3 m-85 -127.47 142.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 64.349999999999994 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 1.053 HD12 ' HB1' ' A' ' 445' ' ' ALA . 12.5 mm -79.46 131.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 109.369 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 528' ' ' PHE . 7.6 mt -109.14 113.72 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 109.333 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.629 ' CD2' HG13 ' A' ' 486' ' ' VAL . 1.2 mm? -97.81 106.39 18.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.483 HD21 HG22 ' A' ' 408' ' ' ILE . 11.5 tp -67.07 94.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 60.439999999999998 109.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 488' ' ' PRO . 4.8 mt -76.24 96.27 3.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 71.239999999999995 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.534 HG22 ' CD ' ' A' ' 491' ' ' PRO . 1.6 p -136.96 156.31 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 75.319999999999993 110.38 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -10.75 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.010000000000005 110.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.3 m120 -95.46 -4.64 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 65.150000000000006 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 400' ' ' LEU . 48.0 t80 -125.64 170.59 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 75.120000000000005 110.993 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 0.6 OUTLIER -120.39 117.56 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.283 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 463' ' ' ARG . 4.8 m -68.25 -48.52 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.450000000000003 108.225 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 467' ' ' HIS . 12.9 mtt-85 -38.35 -58.08 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 64.400000000000006 110.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 467' ' ' HIS . 1.7 tm? -58.5 -54.7 44.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 64.530000000000001 109.218 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 400' ' ' LEU . 0.6 OUTLIER -38.71 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 110.061 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.9 tm? -85.06 -50.49 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 61.43 109.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 463' ' ' ARG . 1.7 m-70 -51.79 -28.79 16.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.674 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.438 ' OE1' HD21 ' A' ' 400' ' ' LEU . 32.5 mt-30 -78.93 -77.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 53.130000000000003 110.249 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 466' ' ' LEU . 9.1 p -40.09 -30.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 71.530000000000001 109.377 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.441 ' CG ' HD13 ' A' ' 466' ' ' LEU . 2.1 m-20 -57.87 -74.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 64.040000000000006 109.223 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.547 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.4 mm100 -41.01 -47.17 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 110.367 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -52.94 -53.91 42.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 109.264 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.557 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 54.0 mtt -52.45 -70.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.400000000000006 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.81 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.17 -17.5 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 111.054 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.2 t -83.04 -28.28 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.016 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.2 t30 -139.08 88.56 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 53.030000000000001 109.286 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -111.55 -20.45 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 42.119999999999997 109.336 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.6 t -74.92 -1.4 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 73.319999999999993 110.353 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.418 ' HB2' ' ND2' ' A' ' 476' ' ' ASN . 15.6 mmm-85 -103.28 -73.5 0.66 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.332 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 0.4 OUTLIER -115.39 -33.58 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.200000000000003 110.253 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.08 44.8 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.909 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 66.8 m -109.93 99.77 40.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 74.530000000000001 110.079 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.557 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.08 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.598 1.841 . . . . 74.310000000000002 110.953 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -100.85 13.23 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.256 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 7.9 m -93.08 42.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 52.450000000000003 108.34 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 58.4 t -121.72 131.95 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 73.299999999999997 109.296 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.4 mm -136.01 98.06 11.94 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 75.049999999999997 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.5 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 74.540000000000006 111.005 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.455 ' HB2' HG23 ' A' ' 453' ' ' ILE . 6.5 t80 -77.74 169.22 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' A' ' 496' ' ' PRO . 2.8 tp -151.81 101.89 2.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 42.229999999999997 109.273 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.534 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 149.53 36.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 55.140000000000001 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.2 mp -56.71 -32.93 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.419 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.5 mm-40 -54.26 -33.35 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 74.519999999999996 110.295 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.436 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -116.26 -177.43 3.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 71.340000000000003 110.037 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.51 165.36 19.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 61.219999999999999 110.032 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.659 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -74.9 -31.18 6.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.578 1.831 . . . . 75.099999999999994 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.18 69.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 71.140000000000001 109.249 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 498' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 495' ' ' SER . 3.4 mt-30 -71.51 -5.18 31.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 65.25 110.273 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.91 163.75 12.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 70.349999999999994 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 7.1 p -71.08 154.97 41.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.209999999999994 110.001 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 8.3 t -65.76 -11.2 43.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 71.200000000000003 109.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.9 OUTLIER -84.72 -37.03 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 72.120000000000005 109.303 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.75 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -42.4 -27.52 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 72.209999999999994 110.433 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 504' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -71.56 -49.07 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 72.299999999999997 109.234 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 3.8 m -74.23 -17.72 60.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 64.150000000000006 109.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 503' ' ' THR . 62.0 mt -74.7 -33.05 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.618 1.199 . . . . 70.540000000000006 109.22 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.5 pp -111.55 16.31 20.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 63.119999999999997 109.284 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.1 t -50.58 100.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 62.409999999999997 109.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.68 -38.29 2.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 71.329999999999998 111.04 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 507' ' ' LEU . 28.7 mt -51.43 179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 71.430000000000007 109.334 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 38.5 t -112.75 92.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 71.150000000000006 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -52.95 107.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 72.329999999999998 110.24 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.769 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.7 tp -96.49 132.78 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.5 109.311 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.57 167.67 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.310000000000002 109.312 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 7.4 tp10 -113.75 -10.8 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 72.120000000000005 110.395 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -99.44 -12.81 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 72.510000000000005 109.55 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.35 133.0 38.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 110.02 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 518' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.4 pt20 -78.74 2.46 19.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 44.439999999999998 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 519' ' ' ILE . 0.1 OUTLIER -108.08 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 74.010000000000005 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.4 t80 -40.78 -34.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 111.036 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -54.9 -47.09 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 75.109999999999999 109.275 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 519' ' ' ILE . 8.8 mpt_? -75.18 -19.31 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 74.530000000000001 110.264 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.736 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.7 mmmt -74.56 -44.22 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.972 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -73.29 -40.68 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 109.328 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.73 -3.95 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 71.409999999999997 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.0 m-20 -95.22 -38.75 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 109.268 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.0 t -95.97 -54.21 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 55.32 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 453' ' ' ILE . 54.4 m-85 -85.92 50.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 63.020000000000003 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 30.7 mttt -61.37 160.05 26.92 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 62.439999999999998 109.23 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -32.71 5.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.587 1.835 . . . . 64.129999999999995 110.945 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.629 ' HE1' ' HD3' ' A' ' 532' ' ' ARG . 0.5 OUTLIER -70.33 -8.65 52.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 109.579 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.629 ' HD3' ' HE1' ' A' ' 531' ' ' HIS . 29.4 mmm180 -101.47 -54.42 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 51.439999999999998 110.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.595 HD12 ' OD1' ' A' ' 396' ' ' ASN . 1.6 mm? -46.24 -61.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 109.345 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 3.2 pt20 -50.82 -40.33 55.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 74.200000000000003 110.316 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.37 61.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 72.319999999999993 109.362 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 532' ' ' ARG . 0.0 OUTLIER -82.81 -32.44 27.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 110.265 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 541' ' ' ARG . 4.8 pttp -97.83 -5.84 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.200000000000003 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 541' ' ' ARG . . . -56.05 -18.78 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.329999999999998 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 20.0 mtm -98.43 -17.27 18.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 73.420000000000002 110.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 394' ' ' PHE . 12.3 t-105 -101.17 -9.77 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 72.299999999999997 108.069 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 538' ' ' ALA . 10.7 ptm180 -85.65 -21.64 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.019999999999996 110.296 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -53.25 -21.04 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 74.150000000000006 109.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -98.08 -22.52 16.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 64.439999999999998 110.312 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 541' ' ' ARG . 35.8 mm-40 -76.34 -45.46 32.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 110.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 16.5 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 54.439999999999998 109.315 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.561 0.219 . . . . 65.519999999999996 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -91.5 151.3 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 110.329 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 25.0 m -95.2 86.08 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.048 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 3.2 m 46.37 53.86 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 70.310000000000002 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.79 47.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 75.540000000000006 109.995 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.31 177.41 8.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 110.316 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -110.01 147.86 32.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 61.439999999999998 110.36 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -49.12 153.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 73.209999999999994 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.555 ' CE1' ' CZ3' ' A' ' 540' ' ' TRP . 7.1 p90 -106.88 131.94 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 73.150000000000006 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 1.1 m-30 -102.38 171.82 7.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 71.420000000000002 110.958 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 8.4 m-80 -112.61 -11.35 13.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 72.010000000000005 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.913 ' CD2' HD12 ' A' ' 453' ' ' ILE . 27.4 p90 -178.71 112.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 71.25 110.976 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 1.0 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -78.23 115.17 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.314 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.791 HD11 ' HE2' ' A' ' 397' ' ' PHE . 56.8 mt -87.09 121.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 55.329999999999998 109.263 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 427' ' ' PHE . 2.9 mm? -93.48 91.07 6.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.721 ' CB ' HD23 ' A' ' 455' ' ' LEU . 3.1 p80 -116.24 176.86 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.646 1.216 . . . . 73.200000000000003 109.593 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 401' ' ' HIS . . . -85.85 -158.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 109.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -98.6 -20.24 17.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 71.120000000000005 110.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.55 16.55 23.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 52.350000000000001 109.284 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.476 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.9 OUTLIER -121.27 26.06 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 63.329999999999998 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.547 ' CG ' HD13 ' A' ' 410' ' ' LEU . 29.0 tt0 -61.06 -74.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 110.242 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 22.1 p-80 -42.2 -34.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 109.557 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.476 HD12 ' CG ' ' A' ' 405' ' ' ASP . 55.8 mt -60.53 -48.91 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 74.239999999999995 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.06 -58.14 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 73.120000000000005 109.258 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.547 HD13 ' CG ' ' A' ' 406' ' ' GLU . 8.7 mp -49.92 -23.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 74.25 109.236 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 1.3 tmm_? -76.26 -35.08 59.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 74.540000000000006 110.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.8 t -75.3 -54.76 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 73.5 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.0 mtm180 -33.09 -45.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -70.89 -61.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 74.310000000000002 110.274 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.649 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -38.78 -53.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.32 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 421' ' ' VAL . 87.8 mt -40.26 -57.14 1.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 72.129999999999995 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 416' ' ' LEU . 9.9 mt-10 -36.15 -43.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 74.209999999999994 110.378 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -51.8 -53.46 39.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 109.382 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 1.065 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.47 -45.98 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 61.039999999999999 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.84 -68.77 0.19 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 53.509999999999998 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.08 137.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 44.119999999999997 109.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.03 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 73.310000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.549 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 4.9 p-10 -65.48 -40.45 93.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.274 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.646 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 74.34 -96.28 0.9 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 65.409999999999997 110.974 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 166.44 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 72.140000000000001 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 399' ' ' ILE . 5.4 p -152.29 108.24 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 62.229999999999997 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.979 ' CD2' HD23 ' A' ' 442' ' ' LEU . 1.2 t80 -87.3 105.95 17.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.578 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 3.9 m -71.7 166.85 21.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 63.539999999999999 108.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' GLU . . . . . 0.681 ' OE1' HD12 ' A' ' 464' ' ' LEU . 11.7 pt-20 -127.41 -175.65 3.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 73.340000000000003 110.241 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.72 ' O ' HG22 ' A' ' 433' ' ' VAL . 50.0 m-20 -149.96 113.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 62.329999999999998 109.242 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -14.58 62.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 74.25 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.9 -26.63 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 64.109999999999999 110.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.912 HG21 ' HG2' ' A' ' 438' ' ' GLU . 12.5 m -95.54 172.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.239999999999995 109.39 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 436' ' ' ARG . 5.8 p80 -60.06 -54.81 41.55 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.57 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 114.71 53.6 0.41 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' ARG . . . . . 0.587 ' HD3' ' HE1' ' A' ' 467' ' ' HIS . 37.9 mmm-85 -132.02 11.73 4.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 0.726 . . . . 71.510000000000005 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 126.52 104.97 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.593 1.183 . . . . 63.210000000000001 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' GLU . . . . . 0.912 ' HG2' HG21 ' A' ' 433' ' ' VAL . 16.7 mt-10 -90.94 -49.73 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 0.811 . . . . 74.109999999999999 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 427' ' ' PHE . 0.1 OUTLIER -85.48 8.57 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 61.109999999999999 109.28 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 19.5 m 40.68 58.17 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 73.150000000000006 109.976 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.471 ' N ' HD13 ' A' ' 439' ' ' LEU . 0.5 OUTLIER -177.93 38.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 62.130000000000003 108.292 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.979 HD23 ' CD2' ' A' ' 427' ' ' PHE . 1.1 tm? -84.79 -43.77 13.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.657 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 38.8 mt-30 -74.48 -8.69 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 0.2 OUTLIER -84.01 -15.93 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 64.219999999999999 109.328 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.654 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -83.0 -14.96 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.340000000000003 109.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.678 ' HA ' HD11 ' A' ' 452' ' ' ILE . 1.3 tt -82.11 -28.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.262 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.24 -27.54 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 109.307 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 5.3 t-160 -95.94 26.37 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.614 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -161.25 162.47 31.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 65.439999999999998 110.022 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -68.4 -72.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.200000000000003 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.423 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 11.9 m-85 -133.89 139.57 46.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 110.892 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 1.0 HG23 HG12 ' A' ' 398' ' ' VAL . 17.9 mm -78.7 130.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.913 HD12 ' CD2' ' A' ' 397' ' ' PHE . 77.0 mt -109.19 121.98 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.299999999999997 109.279 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 465' ' ' SER . 17.4 mt -97.48 98.7 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 65.409999999999997 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 401' ' ' HIS . 8.5 tp -69.83 79.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.572 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.9 mt -68.94 106.86 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.219999999999999 109.209 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 491' ' ' PRO . 70.6 p -137.9 154.19 49.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 60.030000000000001 110.38 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 39.9 p -59.21 -15.69 16.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.959 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.27 -20.08 20.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.233 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 51.6 t80 -114.45 171.59 7.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.592 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.6 m-20 -116.9 143.21 45.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.572 ' SG ' HD13 ' A' ' 456' ' ' LEU . 3.4 m -93.59 -54.37 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 63.109999999999999 108.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -38.88 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 73.25 110.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.681 HD12 ' OE1' ' A' ' 429' ' ' GLU . 2.0 tm? -75.34 -75.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.869 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -39.11 -52.68 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 110.032 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.5 tm? -54.9 -45.88 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 72.519999999999996 109.248 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.587 ' HE1' ' HD3' ' A' ' 436' ' ' ARG . 11.5 t-160 -57.63 -55.38 35.54 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 469' ' ' VAL . 3.8 mt-30 -57.99 -69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 74.299999999999997 110.306 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' A' ' 472' ' ' ALA . 0.7 OUTLIER -39.67 -49.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 54.240000000000002 109.344 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ASN . . . . . 0.501 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 2.3 m120 -48.34 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.420000000000002 109.302 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.2 mt-30 -39.51 -45.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 62.020000000000003 110.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -46.49 -57.07 5.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 64.230000000000004 109.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.546 ' HE3' HG22 ' A' ' 486' ' ' VAL . 57.1 mtt -45.87 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 71.109999999999999 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.76 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.01 -17.71 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 64.349999999999994 110.98 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 19.2 m -82.63 -28.4 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 73.510000000000005 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 472' ' ' ALA . 48.4 t30 -141.18 90.6 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 65.200000000000003 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.0 mt -112.52 -21.09 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 51.32 109.213 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.1 t -75.99 0.28 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 64.319999999999993 110.383 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.421 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 14.2 mmt-85 -107.03 -72.91 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 110.233 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.2 OUTLIER -116.63 -34.96 4.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 44.149999999999999 110.316 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.444 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 39.43 56.92 2.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.607 1.192 . . . . 41.409999999999997 111.062 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.1 t -111.21 98.15 38.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 72.040000000000006 110.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.468 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.05 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 72.200000000000003 110.991 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -113.84 38.34 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.0 m -112.31 22.52 14.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 53.009999999999998 108.254 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.0 t -107.69 114.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 53.310000000000002 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.727 ' CG2' HD22 ' A' ' 513' ' ' LEU . 1.4 mm -122.67 98.41 43.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 60.219999999999999 109.378 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.42 ' CG ' ' HB2' ' A' ' 507' ' ' LEU . 18.2 Cg_endo -75.02 102.67 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 74.209999999999994 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.513 ' HD2' HD23 ' A' ' 513' ' ' LEU . 6.8 t80 -86.74 149.94 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.200000000000003 110.955 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.53 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.8 tm? -139.7 103.74 6.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 63.340000000000003 109.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.05 171.81 17.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 73.540000000000006 110.998 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.0 mp -75.89 -29.44 58.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.329999999999998 109.235 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' HB2' HD13 ' A' ' 408' ' ' ILE . 53.2 mm-40 -62.07 -29.69 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 71.439999999999998 110.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 491' ' ' PRO . 4.5 m -123.94 174.33 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 72.439999999999998 110.019 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.53 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.2 164.17 24.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 53.030000000000001 109.935 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -34.76 3.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 110.999 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -57.45 -36.55 71.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 53.149999999999999 109.355 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.54 -20.94 66.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.271 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 503' ' ' THR . 4.7 mt -86.74 169.94 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 73.519999999999996 109.242 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.6 m -61.97 152.52 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 1.113 . . . . 52.140000000000001 109.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 68.1 m -61.06 -14.52 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 64.120000000000005 109.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 505' ' ' SER . 3.1 m-20 -78.02 -35.1 50.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.626 1.204 . . . . 62.140000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.757 ' HA ' HD12 ' A' ' 506' ' ' LEU . 7.5 m -43.23 -55.32 4.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 60.020000000000003 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.97 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 71.400000000000006 109.204 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 502' ' ' ASP . 23.1 t -84.23 -26.57 28.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 110.001 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 503' ' ' THR . 94.8 mt -62.62 -41.09 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -117.57 22.76 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 74.5 109.324 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 508' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -59.4 -32.91 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 73.030000000000001 109.981 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.08 -27.05 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.968 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 50.7 mt -69.55 165.65 20.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 64.150000000000006 109.345 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 73.0 t -83.75 87.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 32.450000000000003 109.296 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.424 ' CZ ' ' OD2' ' A' ' 514' ' ' ASP . 1.2 tmm_? -52.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 110.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.727 HD22 ' CG2' ' A' ' 487' ' ' ILE . 4.9 tp -73.24 131.67 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 75.319999999999993 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -120.33 167.85 11.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 515' ' ' GLU . 10.1 tp10 -123.72 8.54 8.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 72.040000000000006 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.84 10.66 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 75.140000000000001 109.581 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.9 t -93.06 146.9 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 73.25 109.955 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -85.59 -6.09 59.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.71 -26.81 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 109.375 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.67 -34.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.240000000000002 110.947 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.72 81.1 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 73.230000000000004 109.27 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.4 mpt_? -73.8 -20.72 60.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 73.299999999999997 110.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.772 ' HD3' HD11 ' A' ' 519' ' ' ILE . 12.2 mmmt -74.08 -47.2 38.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 74.219999999999999 109.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 1.065 HG11 HD13 ' A' ' 419' ' ' LEU . 2.5 p -74.08 -35.11 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.530000000000001 109.285 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.61 43.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 70.129999999999995 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 526' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 2.1 m-20 -95.63 -47.22 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 6.3 t -80.51 -51.42 8.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 73.450000000000003 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.1 m-85 -93.78 65.06 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.399 1.062 . . . . 74.430000000000007 111.057 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.787 ' O ' HD23 ' A' ' 533' ' ' LEU . 0.1 OUTLIER -71.64 164.96 53.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.323 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.59 5.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.4 1.737 . . . . 50.020000000000003 111.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.595 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 6.9 p80 -76.98 -23.0 52.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.530000000000001 109.524 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 532' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 532' ' ' ARG . 6.4 mmt180 -92.99 -13.52 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 64.409999999999997 110.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 529' ' ' LYS . 2.5 mm? -93.98 -53.06 4.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.310000000000002 109.342 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -63.0 -39.26 94.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 73.409999999999997 110.281 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -69.04 -20.22 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 62.43 109.269 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.419 ' HD3' ' CE ' ' A' ' 539' ' ' MET . 14.5 tpp180 -76.34 -35.13 58.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 74.310000000000002 110.347 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 541' ' ' ARG . 7.1 pttm -97.97 -12.46 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 53.130000000000003 109.264 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -63.83 -21.54 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 42.32 109.221 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.419 ' CE ' ' HD3' ' A' ' 536' ' ' ARG . 0.1 OUTLIER -101.67 -26.53 13.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 71.230000000000004 110.947 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.718 ' CH2' ' NE2' ' A' ' 544' ' ' GLN . 46.7 t90 -64.47 -38.34 90.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 108.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.448 ' HA ' ' CG ' ' A' ' 544' ' ' GLN . 6.5 mpt_? -52.63 -33.49 46.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 71.540000000000006 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -44.65 -31.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 74.340000000000003 109.27 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -96.83 -27.1 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 72.010000000000005 110.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.718 ' NE2' ' CH2' ' A' ' 540' ' ' TRP . 26.4 mm100 -68.0 -23.33 65.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 72.340000000000003 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 62.219999999999999 109.309 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.516 0.198 . . . . 63.420000000000002 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 387' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' A' ' 387' ' ' GLU . 3.2 mm-40 -112.07 178.99 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 73.239999999999995 110.325 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 p -120.89 22.41 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 64.230000000000004 109.947 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 389' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 390' ' ' SER . 7.0 t -136.78 18.36 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 63.119999999999997 109.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 390' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 389' ' ' SER . 5.2 t -39.45 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.5 109.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.06 -177.06 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 71.120000000000005 110.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -138.82 144.93 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 72.209999999999994 110.344 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' LYS . . . . . 0.57 ' O ' ' CE1' ' A' ' 395' ' ' TYR . 1.6 ttmt -128.5 164.43 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 72.230000000000004 109.295 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 394' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 395' ' ' TYR . 47.5 t80 -78.79 143.38 36.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 74.420000000000002 110.986 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 395' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 393' ' ' LYS . 3.2 m-85 -130.2 160.16 34.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 110.996 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' ASN . . . . . 0.653 ' OD1' HD13 ' A' ' 533' ' ' LEU . 2.4 t30 -113.27 -13.55 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.549999999999997 109.277 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' PHE . . . . . 0.796 ' CD2' HD12 ' A' ' 453' ' ' ILE . 23.7 p90 -164.18 130.38 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.969 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 398' ' ' VAL . . . . . 0.859 ' CG1' HG23 ' A' ' 452' ' ' ILE . 9.8 p -98.87 115.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 73.230000000000004 109.288 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 92.9 mt -85.61 100.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 74.549999999999997 109.189 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 400' ' ' LEU . . . . . 0.821 HD11 HD23 ' A' ' 442' ' ' LEU . 0.2 OUTLIER -76.74 122.63 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 61.219999999999999 109.275 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 401' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.1 p80 -149.55 -176.51 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.498 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 402' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -82.79 -159.47 0.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.346 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.7 -16.58 18.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.019999999999996 110.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.88 16.8 23.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.17 26.84 8.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 55.219999999999999 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' GLU . . . . . 0.478 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.1 tt0 -61.87 -77.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 110.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 407' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.6 p-80 -39.72 -40.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 62.530000000000001 109.569 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' ILE . . . . . 0.47 HG13 ' CE1' ' A' ' 407' ' ' HIS . 81.7 mt -55.54 -51.13 61.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 71.030000000000001 109.316 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.52 -50.04 64.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.74 -13.56 34.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 65.129999999999995 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 407' ' ' HIS . 0.7 OUTLIER -84.96 -15.86 42.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 53.140000000000001 110.247 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 412' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 413' ' ' ARG . 4.2 t -96.38 -51.53 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.457 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.8 mtm180 -36.34 -40.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 72.430000000000007 110.323 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 415' ' ' LYS . 54.6 mt-10 -72.84 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -48.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 71.349999999999994 109.226 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 416' ' ' LEU . . . . . 0.903 ' HB3' HG13 ' A' ' 421' ' ' VAL . 88.4 mt -46.9 -60.17 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -38.68 -29.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 72.25 110.32 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -65.18 -53.65 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' LEU . . . . . 0.919 HD13 HG11 ' A' ' 524' ' ' VAL . 0.9 OUTLIER -68.51 -46.18 70.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 109.264 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 420' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 170.42 -70.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.32 137.19 1.02 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 73.120000000000005 109.346 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.02 -163.32 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.761 . . . . 74.450000000000003 110.976 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' ASP . . . . . 0.52 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 2.2 p-10 -62.04 -43.11 99.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 52.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.25 -96.99 1.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.435 1.084 . . . . 62.350000000000001 110.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.28 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.572 0.807 . . . . 74.439999999999998 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.7 p -152.03 158.75 43.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 70.5 110.394 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' PHE . . . . . 0.71 ' CZ ' HD21 ' A' ' 439' ' ' LEU . 13.7 t80 -104.54 165.57 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 75.310000000000002 110.969 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' CYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 427' ' ' PHE . 14.1 p -138.06 141.61 40.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.099999999999994 108.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.41 124.77 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 53.329999999999998 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.82 113.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 74.409999999999997 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -108.83 91.58 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.52 68.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 63.030000000000001 110.27 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.09 -172.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 70.140000000000001 109.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -101.73 -33.98 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 71.109999999999999 109.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 85.29 -12.32 58.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 111.0 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.94 4.72 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.530000000000001 110.212 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -126.76 4.0 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.402 1.064 . . . . 34.32 111.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -118.84 -83.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 73.319999999999993 110.321 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LEU . . . . . 0.71 HD21 ' CZ ' ' A' ' 427' ' ' PHE . 1.8 pp -116.98 176.88 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 62.32 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.698 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.3 p -87.77 -64.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 74.230000000000004 109.967 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' CYS . . . . . 0.643 ' N ' HD12 ' A' ' 439' ' ' LEU . 14.0 p -167.72 152.39 6.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.648 1.218 . . . . 53.439999999999998 108.316 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 400' ' ' LEU . 0.0 OUTLIER -58.9 -38.57 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 72.409999999999997 109.349 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLN . . . . . 0.821 ' N ' HD13 ' A' ' 442' ' ' LEU . 13.7 tt0 -70.83 -6.13 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.26 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 35.8 t70 -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 75.420000000000002 109.23 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' ALA . . . . . 0.814 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -76.46 -28.38 56.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 109.327 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' ILE . . . . . 0.716 HD11 HG23 ' A' ' 469' ' ' VAL . 6.9 mt -53.81 -33.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 109.294 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.78 -56.95 2.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 75.5 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -55.71 -50.21 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 72.010000000000005 109.601 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' SER . . . . . 0.646 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 1.1 m -84.88 137.01 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 51.210000000000001 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 396' ' ' ASN . . . -49.97 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 73.510000000000005 109.264 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' PHE . . . . . 0.576 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.9 m-85 -116.09 129.73 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 110.923 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' ILE . . . . . 0.859 HG23 ' CG1' ' A' ' 398' ' ' VAL . 19.8 mm -75.52 131.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.563 1.164 . . . . 75.030000000000001 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' ILE . . . . . 0.796 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.4 mt -105.8 116.81 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 486' ' ' VAL . 1.8 mp -95.52 109.88 22.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.362 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 457' ' ' THR . 8.3 tp -79.01 79.44 5.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' LEU . . . . . 0.773 HD12 HD22 ' A' ' 507' ' ' LEU . 3.9 mt -67.18 93.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.019999999999996 109.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 455' ' ' LEU . 15.8 p -128.57 153.85 46.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.340000000000003 110.405 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.4 p -59.23 -16.26 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.626 1.204 . . . . 65.329999999999998 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.3 m-20 -94.14 -18.97 21.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.361 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 46.7 t80 -111.0 160.45 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.540000000000006 111.044 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 11.1 t70 -106.41 131.07 54.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 71.430000000000007 109.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.94 -53.97 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 108.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -38.83 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 110.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 466' ' ' LEU . 1.5 tm? -72.88 -75.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 65.439999999999998 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 469' ' ' VAL . 1.5 p -38.62 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 72.340000000000003 109.966 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 464' ' ' LEU . 7.0 tt -73.05 -56.57 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.4 OUTLIER -52.85 -40.37 63.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 109.608 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 9.1 mt-30 -70.28 -74.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.214 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' VAL . . . . . 0.716 HG23 HD11 ' A' ' 446' ' ' ILE . 7.2 p -40.18 -32.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.219999999999999 109.214 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -63.98 -70.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 73.319999999999993 109.227 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 471' ' ' GLN . . . . . 0.619 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 35.3 mm-40 -48.84 -52.01 26.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 52.020000000000003 110.304 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 443' ' ' GLN . . . -50.95 -55.46 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.306 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' MET . . . . . 0.57 ' HE3' HG22 ' A' ' 486' ' ' VAL . 22.1 mtt -47.48 -71.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 65.099999999999994 111.032 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' MET . . . . . 0.716 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -57.42 -15.87 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 62.43 111.066 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 475' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 27.5 t -85.57 -24.52 27.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.569 1.168 . . . . 62.020000000000003 109.933 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 43.7 t30 -137.56 77.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 70.25 109.256 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -101.56 -21.71 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.509999999999998 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 5.9 t -72.2 -3.79 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 73.329999999999998 110.477 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 18.3 mmt-85 -101.21 -73.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 73.420000000000002 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -116.7 -35.01 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.200000000000003 110.259 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 481' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 38.49 58.07 1.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 71.530000000000001 111.048 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.09 94.44 43.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 73.519999999999996 110.084 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 483' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.87 0.18 9.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 62.030000000000001 111.044 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.91 15.15 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 65.200000000000003 109.224 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 4.7 m -93.9 20.99 7.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 61.130000000000003 108.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' VAL . . . . . 0.953 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.2 t -105.87 114.05 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.239999999999995 109.289 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.495 ' CG2' HD22 ' A' ' 513' ' ' LEU . 3.0 mm -115.61 95.12 42.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 65.239999999999995 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 488' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 97.54 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 74.319999999999993 111.012 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' PHE . . . . . 0.671 ' CD2' HD23 ' A' ' 513' ' ' LEU . 6.5 t80 -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 111.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' LEU . . . . . 0.557 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.4 tm? -152.44 103.92 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.450000000000003 109.274 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' PRO . . . . . 0.557 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.413 1.744 . . . . 75.420000000000002 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 492' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.4 mp -78.07 -25.18 47.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 71.230000000000004 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.32 -36.23 83.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 52.399999999999999 110.371 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' SER . . . . . 0.439 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 23.1 m -120.5 170.95 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 72.010000000000005 110.025 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' SER . . . . . 0.414 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.6 OUTLIER -147.35 166.49 15.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.401 1.063 . . . . 72.230000000000004 109.996 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 496' ' ' PRO . . . . . 0.493 ' HB3' HH21 ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.01 -31.72 5.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 73.420000000000002 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.38 67.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 63.450000000000003 109.272 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -79.6 -12.81 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 72.409999999999997 110.237 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' LEU . . . . . 0.84 HD13 HG21 ' A' ' 503' ' ' THR . 12.0 mt -90.25 -174.76 4.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 74.219999999999999 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 500' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 501' ' ' SER . 3.0 t -80.85 173.24 12.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.046 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' SER . . . . . 0.402 ' N ' ' OG ' ' A' ' 500' ' ' SER . 8.4 t -79.91 -6.57 57.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 70.319999999999993 109.976 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 505' ' ' SER . 7.8 m-20 -97.21 -39.36 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 53.409999999999997 109.34 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' THR . . . . . 0.867 ' HA ' HD12 ' A' ' 506' ' ' LEU . 3.2 m -44.38 -26.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.164 . . . . 70.219999999999999 110.444 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.07 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 109.374 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.8 m -77.95 -10.64 59.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 110.038 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 63.1 mt -79.7 -27.71 40.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 51.240000000000002 109.251 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 456' ' ' LEU . 3.3 pp -111.14 -14.39 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.109999999999999 109.324 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 89.5 p -50.73 105.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.109999999999999 109.999 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 134.55 -23.69 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 71.409999999999997 110.98 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' LEU . . . . . 0.953 HD13 ' HB ' ' A' ' 486' ' ' VAL . 10.6 mt -104.62 136.93 43.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 72.439999999999998 109.26 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 511' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.5 t -53.42 108.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 64.340000000000003 109.34 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' ARG . . . . . 0.493 HH21 ' HB3' ' A' ' 496' ' ' PRO . 0.0 OUTLIER -70.45 134.37 47.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 513' ' ' LEU . . . . . 0.671 HD23 ' CD2' ' A' ' 489' ' ' PHE . 3.8 tp -104.84 149.49 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 61.43 109.372 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.0 t0 -145.32 167.72 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 60.020000000000003 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -112.26 -33.99 6.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 110.211 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 516' ' ' HIS . . . . . 0.45 ' CD2' ' OD2' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -95.83 29.4 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 75.030000000000001 109.549 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.1 t -105.61 156.99 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 73.329999999999998 110.004 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -102.88 -7.48 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 519' ' ' ILE . . . . . 0.786 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 71.409999999999997 109.302 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.559 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.2 t80 -39.48 -35.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 75.340000000000003 111.045 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 62.350000000000001 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 522' ' ' ARG . . . . . 0.724 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -73.75 -19.18 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.430000000000007 110.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 523' ' ' LYS . . . . . 0.786 ' HD3' HD11 ' A' ' 519' ' ' ILE . 9.1 mmmt -77.06 -39.18 50.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 73.239999999999995 109.378 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 524' ' ' VAL . . . . . 0.919 HG11 HD13 ' A' ' 419' ' ' LEU . 0.5 OUTLIER -79.5 -46.64 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.340000000000003 109.319 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 525' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -64.48 -11.7 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 44.219999999999999 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -89.59 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.259 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 527' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 528' ' ' PHE . 7.7 t -74.99 -54.84 6.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 110.415 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 32.8 m-85 -86.31 46.35 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 73.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 529' ' ' LYS . . . . . 0.614 ' O ' HD23 ' A' ' 533' ' ' LEU . 46.7 mttt -45.69 152.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 65.540000000000006 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 71.129999999999995 110.945 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -54.51 -19.66 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.135 . . . . 74.340000000000003 109.545 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -87.95 -37.47 16.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 74.019999999999996 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 533' ' ' LEU . . . . . 0.653 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.1 OUTLIER -60.2 -60.89 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.382 1.051 . . . . 63.210000000000001 109.28 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 534' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 535' ' ' ALA . 5.9 pt20 -60.58 -36.51 78.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 63.329999999999998 110.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 535' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -70.43 -16.4 62.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 70.140000000000001 109.348 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 536' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 533' ' ' LEU . 8.6 tpt180 -59.94 -20.12 55.72 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 74.510000000000005 110.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 539' ' ' MET . 0.8 OUTLIER -97.85 -22.65 16.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.430000000000007 109.28 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ALA . . . . . 0.474 ' O ' ' CD ' ' A' ' 541' ' ' ARG . . . -40.38 -29.79 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.569 1.168 . . . . 61.420000000000002 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 539' ' ' MET . . . . . 0.461 ' CA ' ' HE3' ' A' ' 542' ' ' LYS . 69.1 mtm -89.09 -47.22 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 61.229999999999997 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 540' ' ' TRP . 0.1 OUTLIER -48.05 -48.96 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.991 -1.114 . . . . 74.310000000000002 107.991 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 541' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 538' ' ' ALA . 10.7 ptm180 -40.15 -37.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 110.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 542' ' ' LYS . . . . . 0.461 ' HE3' ' CA ' ' A' ' 539' ' ' MET . 9.8 mtmp? -48.18 -49.99 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 75.329999999999998 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.09 -22.46 59.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.607 1.192 . . . . 74.530000000000001 110.205 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 544' ' ' GLN . . . . . 0.453 ' CG ' ' HA ' ' A' ' 541' ' ' ARG . 65.3 mm-40 -71.23 -36.95 72.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 72.400000000000006 110.294 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 60.539999999999999 109.311 179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 2.2 m-85 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.524 0.202 . . . . 65.340000000000003 111.034 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.981 ' OD1' HD13 ' A' ' 533' ' ' LEU . 14.8 m-80 -112.3 -14.29 13.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.219999999999999 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.843 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.0 p90 -164.69 153.12 12.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.953 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -109.67 115.51 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 71.030000000000001 109.262 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.702 HD11 ' HE2' ' A' ' 397' ' ' PHE . 54.0 mt -86.6 96.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 70.230000000000004 109.262 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.708 HD21 ' CD2' ' A' ' 427' ' ' PHE . 5.9 mt -80.74 118.68 22.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 63.549999999999997 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.622 ' CB ' HD23 ' A' ' 455' ' ' LEU . 11.2 p80 -155.0 158.24 38.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 64.099999999999994 109.589 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.616 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -56.97 -165.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 71.329999999999998 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -9.12 23.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 74.109999999999999 110.237 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.6 16.85 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 109.348 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.616 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -127.05 35.99 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 72.340000000000003 109.281 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 31.9 tt0 -66.43 -76.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 65.409999999999997 110.364 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 11.5 p-80 -38.19 -35.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 109.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 405' ' ' ASP . 47.9 mt -58.27 -54.95 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 109.297 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -65.45 -46.62 79.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.296 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -57.06 -25.54 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -80.91 -21.35 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 74.230000000000004 110.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.556 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 4.8 t -84.29 -52.53 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.069 . . . . 74.409999999999997 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.476 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.7 mtm180 -38.2 -51.47 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 64.430000000000007 110.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 67.4 mt-10 -67.12 -51.9 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.209999999999994 110.351 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.523 ' HA ' ' HZ2' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -50.06 -27.03 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 74.530000000000001 109.346 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -76.99 -33.8 57.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 62.340000000000003 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.443 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 4.9 mt-10 -76.19 -8.12 56.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 70.349999999999994 110.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -90.75 -9.35 46.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 63.299999999999997 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.612 HD13 HG11 ' A' ' 524' ' ' VAL . 0.8 OUTLIER -116.37 -44.96 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 73.010000000000005 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.14 -76.29 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 110.995 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -40.36 138.04 1.23 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 0.733 . . . . 74.219999999999999 109.363 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.95 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 64.329999999999998 111.048 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.441 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.9 p-10 -59.11 -44.46 91.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.02 -92.79 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 43.350000000000001 110.997 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.46 -175.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 0.76 . . . . 70.209999999999994 109.249 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.9 p -152.12 120.17 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.109999999999999 110.35 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.708 ' CD2' HD21 ' A' ' 400' ' ' LEU . 1.9 t80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 74.430000000000007 110.993 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.593 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 6.7 pt20 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.339 -0.245 . . . . 75.030000000000001 110.339 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -73.57 -48.24 34.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.264 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -67.04 -14.66 63.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 72.109999999999999 109.234 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.629 HD12 ' CB ' ' A' ' 472' ' ' ALA . 7.2 mt -79.93 -31.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 71.329999999999998 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.96 -12.02 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.219999999999999 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 444' ' ' ASP . 5.9 m-70 -106.42 -55.92 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 109.579 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.6 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 0.8 OUTLIER -79.94 143.03 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 72.019999999999996 110.003 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -53.26 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 485' ' ' CYS . 3.0 m-85 -121.71 130.53 53.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 74.040000000000006 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.953 HG23 HG12 ' A' ' 398' ' ' VAL . 26.0 mm -71.52 130.23 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.063 . . . . 72.540000000000006 109.222 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.843 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.8 mt -106.34 112.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 65.230000000000004 109.27 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.593 ' CD1' HG22 ' A' ' 452' ' ' ILE . 1.1 mp -95.41 107.55 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 71.219999999999999 109.396 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 457' ' ' THR . 7.2 tp -73.93 79.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 63.340000000000003 109.303 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.497 HD23 ' N ' ' A' ' 456' ' ' LEU . 5.6 mt -66.03 91.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.150000000000006 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.9 p -129.74 149.94 51.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.519999999999996 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 498' ' ' GLN . 0.4 OUTLIER -57.04 -17.57 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.014 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.585 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 6.7 m-20 -91.94 -22.84 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 73.299999999999997 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 48.6 t80 -104.37 165.25 11.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 73.420000000000002 110.959 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -106.62 124.15 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 55.100000000000001 109.259 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.4 m -92.2 -52.41 4.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 64.019999999999996 108.264 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -38.87 -59.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 54.25 110.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 464' ' ' LEU . 1.5 tm? -51.71 -61.49 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 75.25 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 464' ' ' LEU . 0.2 OUTLIER -39.29 -45.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 109.975 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -59.84 -48.37 81.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 72.439999999999998 109.272 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 21.5 m-70 -56.86 -56.1 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 72.129999999999995 109.525 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.652 ' NE2' HD11 ' A' ' 464' ' ' LEU . 27.7 mt-30 -57.32 -69.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 470' ' ' ASN . 0.6 OUTLIER -39.75 -45.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 109.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.1 m-80 -56.55 -69.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 73.340000000000003 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.1 mm100 -40.67 -45.94 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 74.420000000000002 110.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.629 ' CB ' HD12 ' A' ' 446' ' ' ILE . . . -57.23 -46.09 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 50.420000000000002 109.196 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.527 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 32.7 mtt -64.64 -57.96 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.44 32.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 61.310000000000002 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.4 t -78.01 -53.08 7.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 75.450000000000003 109.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.715 ' ND2' HE22 ' A' ' 480' ' ' GLN . 15.2 p-10 -133.08 94.66 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 63.200000000000003 109.346 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 473' ' ' MET . 10.0 mt -92.87 -37.23 12.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 74.349999999999994 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.4 t -56.56 -17.21 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 71.310000000000002 110.395 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -78.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.408 1.068 . . . . 73.230000000000004 110.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.715 HE22 ' ND2' ' A' ' 476' ' ' ASN . 2.3 pm0 -111.51 -23.36 10.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 1.155 . . . . 74.430000000000007 110.405 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.4 43.8 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.416 1.072 . . . . 42.310000000000002 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.65 81.1 14.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 62.200000000000003 110.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.462 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.99 0.28 9.09 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.781 . . . . 70.019999999999996 111.022 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 34.1 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 50.520000000000003 109.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 451' ' ' PHE . 0.5 OUTLIER -106.49 20.38 19.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.439999999999998 108.31 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.939 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.9 t -92.5 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 109.211 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.939 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.1 mm -140.01 95.47 8.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.35 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 94.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 53.240000000000002 110.989 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.697 ' HD1' HD23 ' A' ' 513' ' ' LEU . 8.2 t80 -80.76 146.95 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 111.044 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.557 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.3 tm? -133.44 103.6 12.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 109.319 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 74.450000000000003 110.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.8 mp -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 109.222 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.485 ' HB2' HD13 ' A' ' 408' ' ' ILE . 3.5 mm-40 -58.89 -36.6 74.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.439999999999998 110.354 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -120.53 175.67 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 109.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.557 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.6 166.13 17.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 43.240000000000002 110.032 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.485 1.781 . . . . 73.219999999999999 110.994 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.06 -25.72 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.416 ' CB ' ' OG ' ' A' ' 458' ' ' SER . 2.0 mt-30 -75.97 -8.46 57.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 503' ' ' THR . 9.1 mt -97.66 161.92 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 109.377 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.3 m -61.45 162.11 8.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.587 1.18 . . . . 33.219999999999999 110.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 34.2 t -70.55 -6.53 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.140000000000001 110.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 505' ' ' SER . 83.2 m-20 -83.54 -36.13 24.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 65.010000000000005 109.193 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.895 HG22 ' CD2' ' A' ' 507' ' ' LEU . 67.9 m -42.51 -47.59 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 70.140000000000001 110.356 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.18 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 62.140000000000001 109.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 502' ' ' ASP . 43.4 t -78.71 -25.38 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 43.119999999999997 110.035 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 503' ' ' THR . 59.6 mt -69.44 -34.26 74.15 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.233 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.895 ' CD2' HG22 ' A' ' 503' ' ' THR . 0.4 OUTLIER -111.19 20.82 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 63.530000000000001 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 60.84 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.935 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 173.05 -38.45 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.168 . . . . 72.120000000000005 111.008 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 486' ' ' VAL . 13.2 mt -72.55 -179.65 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 73.540000000000006 109.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 70.4 t -104.66 99.46 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.394 1.059 . . . . 60.200000000000003 109.26 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 514' ' ' ASP . 2.4 tmm_? -52.04 113.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.371 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.697 HD23 ' HD1' ' A' ' 489' ' ' PHE . 9.0 tp -98.84 129.05 45.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.336 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 13.0 m-20 -116.01 167.48 10.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 5.2 tp10 -122.23 5.12 9.74 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.6 9.12 5.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 65.109999999999999 109.601 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.38 139.2 33.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 73.409999999999997 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . 0.407 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.2 pp0? -78.93 2.51 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.323 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.752 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.58 -27.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 65.400000000000006 109.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.0 t80 -40.01 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 55.530000000000001 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.41 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 34.539999999999999 109.315 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.22 -20.4 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.752 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.7 mmmt -73.65 -47.43 39.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 63.32 109.311 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.612 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -71.52 -45.5 67.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 74.140000000000001 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -66.51 -10.64 46.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 63.32 109.334 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.5 m-20 -87.91 -55.83 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 53.200000000000003 109.323 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -77.44 -54.05 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 62.409999999999997 110.359 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 58.4 m-85 -88.19 55.2 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 64.219999999999999 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 533' ' ' LEU . 47.9 mttt -60.66 159.91 22.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 72.209999999999994 109.295 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -31.62 6.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 73.209999999999994 111.056 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.48 ' NE2' ' NE ' ' A' ' 532' ' ' ARG . 3.6 p-80 -75.65 -13.9 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 74.400000000000006 109.56 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.48 ' NE ' ' NE2' ' A' ' 531' ' ' HIS . 25.3 mmt180 -98.16 -42.56 7.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 63.149999999999999 110.383 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.981 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 109.36 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.503 0.192 . . . . 75.420000000000002 110.985 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.7 m-80 -112.39 -14.37 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 74.329999999999998 109.351 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 453' ' ' ILE . 11.0 p90 -170.7 136.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.815 HG12 HG23 ' A' ' 452' ' ' ILE . 3.9 p -100.01 105.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.261 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.764 HD11 ' HE2' ' A' ' 397' ' ' PHE . 22.3 mt -77.28 96.7 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.010000000000005 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 401' ' ' HIS . 0.7 OUTLIER -78.24 110.2 13.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 62.219999999999999 109.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 400' ' ' LEU . 19.7 p80 -144.82 174.2 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.450000000000003 109.587 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.476 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -67.59 -167.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 62.119999999999997 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -99.48 -11.23 21.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 62.109999999999999 110.33 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' A' ' 403' ' ' ARG . . . -104.3 16.88 25.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 74.129999999999995 109.278 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.698 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.88 26.98 6.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.281 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.552 ' HG3' HD13 ' A' ' 410' ' ' LEU . 23.2 tt0 -61.4 -75.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.394 1.059 . . . . 61.420000000000002 110.353 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 17.6 p-80 -41.91 -33.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 75.420000000000002 109.657 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.698 HD12 ' CG ' ' A' ' 405' ' ' ASP . 47.1 mt -62.24 -50.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -71.27 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 72.340000000000003 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 406' ' ' GLU . 8.2 mp -48.29 -24.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 64.409999999999997 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 0.0 OUTLIER -75.99 -36.5 59.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 72.040000000000006 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 489' ' ' PHE . 2.6 t -74.79 -52.32 19.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.45 1.093 . . . . 35.039999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 11.2 mtm180 -35.6 -45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.313 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 70.5 mt-10 -69.6 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 73.420000000000002 110.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.88 -52.45 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 65.349999999999994 109.314 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.932 ' HB3' HG13 ' A' ' 421' ' ' VAL . 94.5 mt -42.17 -57.52 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.416 1.073 . . . . 53.340000000000003 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 416' ' ' LEU . 8.9 mt-10 -36.61 -40.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 75.420000000000002 110.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -54.95 -53.59 53.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.0 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -66.9 -45.86 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.08 -70.68 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.092 . . . . 55.039999999999999 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.49 137.24 1.06 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 72.510000000000005 109.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.12 -166.15 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.389 1.731 . . . . 51.240000000000002 110.936 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.513 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 72.430000000000007 109.23 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.39 -95.67 1.69 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 71.310000000000002 110.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.38 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 74.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 11.2 p -151.68 145.2 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.474 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.785 ' HB2' HG22 ' A' ' 398' ' ' VAL . 8.7 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 62.149999999999999 111.064 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.52 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.351 -0.24 . . . . 73.25 110.351 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -63.1 -20.54 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 74.129999999999995 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.532 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -88.26 -29.44 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.209999999999994 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.504 ' N ' HD11 ' A' ' 452' ' ' ILE . 2.5 mt -60.6 -22.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -56.49 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 75.120000000000005 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -65.55 -55.69 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.634 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -77.34 160.64 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 74.409999999999997 110.044 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.477 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -74.65 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 70.129999999999995 109.25 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 2.2 m-85 -118.43 129.06 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.815 HG23 HG12 ' A' ' 398' ' ' VAL . 14.3 mm -71.1 135.87 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 45.210000000000001 109.283 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.4 mt -110.79 120.99 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 63.219999999999999 109.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' A' ' 465' ' ' SER . 3.5 mt -100.96 106.85 18.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -73.57 79.6 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 71.349999999999994 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.4 mt -68.13 92.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 55.25 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 455' ' ' LEU . 17.3 p -127.22 158.4 37.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 62.310000000000002 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 p -64.25 -12.15 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.349999999999994 110.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.0 -11.32 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.239999999999995 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 461' ' ' ASP . 55.1 t80 -124.7 171.44 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 110.929 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 460' ' ' PHE . 29.8 p30 -120.14 126.23 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.25 109.233 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.689 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.0 p -83.15 -42.34 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 63.530000000000001 108.323 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -38.89 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.319999999999993 110.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.603 HD11 ' OE1' ' A' ' 468' ' ' GLN . 1.7 tm? -82.18 -54.95 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 70.030000000000001 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.844 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.75 -59.58 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 70.349999999999994 110.042 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.662 ' O ' HD13 ' A' ' 466' ' ' LEU . 3.4 tm? -52.34 -21.83 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 73.319999999999993 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 4.6 t60 -91.92 -25.72 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.010000000000005 109.591 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.603 ' OE1' HD11 ' A' ' 464' ' ' LEU . 48.2 mt-30 -86.21 -18.35 32.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 74.329999999999998 110.197 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.693 HG22 ' CE ' ' A' ' 473' ' ' MET . 0.5 OUTLIER -90.95 -49.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 65.109999999999999 109.332 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.9 m-80 -56.12 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 71.010000000000005 109.304 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.622 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.1 mm100 -40.58 -46.24 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 65.140000000000001 110.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 468' ' ' GLN . . . -51.84 -53.71 37.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 63.409999999999997 109.27 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.693 ' CE ' HG22 ' A' ' 469' ' ' VAL . 8.4 mtt -53.01 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 74.239999999999995 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.807 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -53.08 -19.06 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 64.310000000000002 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.7 t -81.53 -30.83 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 61.020000000000003 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.526 ' ND2' HE22 ' A' ' 480' ' ' GLN . 47.7 t30 -137.76 90.63 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 44.539999999999999 109.326 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -112.75 -20.64 11.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 71.409999999999997 109.26 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.721 HG23 ' CD ' ' A' ' 479' ' ' ARG . 6.7 t -74.34 -1.51 21.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 54.32 110.473 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.721 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.4 OUTLIER -107.49 -72.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.543 1.152 . . . . 71.310000000000002 110.275 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.526 HE22 ' ND2' ' A' ' 476' ' ' ASN . 3.9 pm0 -116.49 -32.38 5.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 73.019999999999996 110.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 36.8 53.39 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 44.439999999999998 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.49 97.55 36.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.529 0.782 . . . . 71.329999999999998 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.85 0.92 8.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.558 1.82 . . . . 53.32 111.074 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.5 42.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.109999999999999 109.313 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 473' ' ' MET . 30.3 p -120.27 41.42 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 74.209999999999994 108.264 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.804 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.1 t -118.81 126.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 71.200000000000003 109.321 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.748 ' CG2' HD22 ' A' ' 513' ' ' LEU . 4.9 mm -133.04 93.05 23.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.222 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.05 95.34 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 64.430000000000007 110.978 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.5 t80 -78.3 158.06 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.239999999999995 111.034 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.588 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -145.75 104.13 4.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 61.509999999999998 109.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.5 Cg_endo -74.9 171.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 63.25 111.024 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.643 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -76.19 -27.43 56.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 109.361 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.97 -34.44 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 73.030000000000001 110.292 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.4 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 5.9 m -121.92 176.65 5.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 110.001 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.588 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.69 166.51 18.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 54.240000000000002 110.005 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.18 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.443 1.76 . . . . 74.329999999999998 111.0 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.48 -26.19 67.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -72.38 -11.86 60.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 43.329999999999998 110.255 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 503' ' ' THR . 7.5 mt -92.66 164.84 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 72.239999999999995 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 167.44 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.510000000000005 109.956 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -72.76 -5.44 37.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.5 OUTLIER -85.25 -38.14 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 71.010000000000005 109.269 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.853 ' HA ' HD12 ' A' ' 506' ' ' LEU . 54.3 m -42.13 -40.58 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 73.219999999999999 110.36 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.76 83.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 109.266 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -75.74 -14.29 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.040000000000006 109.954 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 503' ' ' THR . 46.3 mt -83.17 -35.32 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 53.539999999999999 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.5 pp -109.1 15.59 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 72.510000000000005 109.275 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 11.6 p -71.31 106.58 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 71.120000000000005 110.003 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 118.62 -29.67 6.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.101 . . . . 75.129999999999995 111.018 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.804 HD13 ' HB ' ' A' ' 486' ' ' VAL . 22.5 mt -76.81 -174.96 3.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 0.75 . . . . 72.439999999999998 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 511' ' ' VAL . 12.0 t -113.29 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 73.319999999999993 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.474 ' CZ ' ' OD1' ' A' ' 514' ' ' ASP . 0.0 OUTLIER -53.42 112.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 74.439999999999998 110.298 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -87.63 134.48 33.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 12.3 m-20 -121.03 167.63 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 109.335 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 412' ' ' VAL . 18.7 tt0 -122.07 5.5 9.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 75.450000000000003 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.25 12.07 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 70.25 109.513 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . 0.405 ' OG ' HG23 ' A' ' 519' ' ' ILE . 5.5 t -95.86 139.12 32.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 61.350000000000001 110.032 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.96 -4.77 53.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.301 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.26 -26.34 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 109.212 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.7 OUTLIER -40.0 -35.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.140000000000001 110.993 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.35 -47.27 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.299999999999997 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.719 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.9 -20.35 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 12.9 mmmt -74.05 -44.04 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.310000000000002 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 1.0 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.32 -39.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 72.450000000000003 109.299 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -73.87 -3.94 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 24.309999999999999 109.339 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -96.54 -38.48 9.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.579 1.175 . . . . 74.120000000000005 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -92.3 -53.99 4.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 63.229999999999997 110.443 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.71 ' CE2' HD11 ' A' ' 453' ' ' ILE . 43.1 m-85 -85.99 44.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 53.310000000000002 111.028 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.2 mttm -48.52 157.94 0.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.349999999999994 109.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 72.200000000000003 111.014 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.0 OUTLIER -65.08 -11.62 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 62.439999999999998 109.624 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.466 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 0.6 OUTLIER -84.86 -44.91 12.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 110.261 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.4 mm? . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.312 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 21.8 m-85 . . . . . 0 N--CA 1.454 -0.268 0 CA-C-O 120.474 0.178 . . . . 72.109999999999999 111.02 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 1.2 m120 -112.68 -14.07 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.400000000000006 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 1.017 ' CD2' HD12 ' A' ' 453' ' ' ILE . 24.6 p90 -174.27 141.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 73.219999999999999 110.946 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -101.74 115.83 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.159 . . . . 73.120000000000005 109.326 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.848 HD12 HG22 ' A' ' 426' ' ' THR . 76.9 mt -80.19 119.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 65.299999999999997 109.278 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.698 HD23 HG13 ' A' ' 398' ' ' VAL . 0.7 OUTLIER -101.85 102.82 13.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.598 1.186 . . . . 74.010000000000005 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.666 ' HB3' HD23 ' A' ' 455' ' ' LEU . 16.4 p80 -134.1 -170.2 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.239999999999995 109.583 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -86.61 -162.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -16.73 18.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 72.400000000000006 110.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 17.0 23.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 74.439999999999998 109.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.847 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -123.17 27.67 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 64.340000000000003 109.26 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 41.2 tt0 -64.08 -74.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.395 1.059 . . . . 53.43 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 1.8 p80 -37.82 -34.78 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 62.219999999999999 109.609 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.847 HD12 ' CG ' ' A' ' 405' ' ' ASP . 24.3 mt -60.58 -56.08 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 109.324 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -62.72 -45.84 90.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 75.310000000000002 109.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 13.3 mt -61.43 -21.98 64.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 51.520000000000003 109.272 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -81.87 -13.1 58.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.510000000000005 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.483 HG21 ' CE2' ' A' ' 489' ' ' PHE . 6.1 t -96.51 -53.38 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 54.119999999999997 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.462 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -35.35 -43.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 74.450000000000003 110.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 415' ' ' LYS . 66.6 mm-40 -72.28 -61.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 74.430000000000007 110.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.51 -52.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 75.510000000000005 109.37 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.902 ' HB3' HG13 ' A' ' 421' ' ' VAL . 80.5 mt -45.34 -60.12 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.074 . . . . 75.040000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 2.9 mt-10 -36.54 -33.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.549999999999997 110.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -63.2 -55.59 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.934 HD13 HG11 ' A' ' 524' ' ' VAL . 1.7 mt -64.57 -45.69 85.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 71.230000000000004 109.379 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.34 -70.64 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 52.149999999999999 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.61 137.77 1.05 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 71.519999999999996 109.256 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -74.99 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 72.409999999999997 110.956 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.505 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 5.8 p-10 -59.15 -44.53 92.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 74.230000000000004 109.266 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.693 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.14 -94.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.585 1.178 . . . . 73.540000000000006 111.041 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 50.340000000000003 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.848 HG22 HD12 ' A' ' 399' ' ' ILE . 3.0 p -152.54 108.02 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.449 ' C ' ' CD1' ' A' ' 427' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.430000000000007 110.995 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.243 -0.281 . . . . 53.340000000000003 110.243 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.448 ' O ' ' ND1' ' A' ' 448' ' ' HIS . 15.8 t70 -53.45 -35.57 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 75.420000000000002 109.27 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -75.76 -26.39 57.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 41.450000000000003 109.322 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 469' ' ' VAL . 1.1 mt -77.34 -10.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 42.450000000000003 109.332 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.13 -49.35 3.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.310000000000002 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.651 ' CD2' ' N ' ' A' ' 449' ' ' SER . 5.5 p-80 -88.32 -53.77 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.109999999999999 109.633 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.651 ' N ' ' CD2' ' A' ' 448' ' ' HIS . 0.1 OUTLIER -70.77 151.37 44.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 63.149999999999999 109.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -67.11 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 109.336 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 485' ' ' CYS . 19.3 m-30 -120.02 134.43 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 111.001 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.9 HG23 HG12 ' A' ' 398' ' ' VAL . 16.4 mm -70.99 134.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 62.450000000000003 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 1.017 HD12 ' CD2' ' A' ' 397' ' ' PHE . 6.1 mt -108.34 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.299999999999997 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 465' ' ' SER . 6.7 mt -88.89 107.42 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 61.130000000000003 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 401' ' ' HIS . 7.5 tp -75.33 79.5 2.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 75.230000000000004 109.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 456' ' ' LEU . 4.3 mt -63.59 91.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 71.209999999999994 109.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.475 HG22 ' CG ' ' A' ' 491' ' ' PRO . 77.5 p -127.84 150.38 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.063 . . . . 75.510000000000005 110.379 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 77.5 p -59.84 -15.38 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 72.519999999999996 109.953 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.565 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.9 m120 -91.09 -20.61 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 61.539999999999999 109.259 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 79.6 t80 -111.43 172.42 6.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 65.420000000000002 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.495 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -125.72 131.29 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.200000000000003 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 456' ' ' LEU . 12.2 t -94.03 -42.42 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 108.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 462' ' ' CYS . 42.0 mtp180 -38.61 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -84.64 -71.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 71.109999999999999 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.5 OUTLIER -41.53 -59.42 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 64.049999999999997 110.02 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 466' ' ' LEU . 1.6 tm? -48.24 -37.92 17.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 44.350000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.9 OUTLIER -73.54 -31.0 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 62.020000000000003 109.541 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 6.5 mt-30 -77.74 -69.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 110.364 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 446' ' ' ILE . 5.2 p -41.75 -50.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 63.200000000000003 109.326 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.495 ' ND2' HD22 ' A' ' 466' ' ' LEU . 1.1 m-80 -43.39 -48.9 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 71.239999999999995 109.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -68.63 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 52.210000000000001 110.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.545 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -66.06 -27.17 67.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.209999999999994 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.712 ' HE3' HG23 ' A' ' 486' ' ' VAL . 16.2 mtt -72.75 -57.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.988 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -66.47 -8.35 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.100000000000001 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -108.47 -1.12 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.519999999999996 110.003 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 479' ' ' ARG . 29.5 t-20 -130.46 52.42 2.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 74.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 3.7 mt -96.82 -15.8 21.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.4 t -85.9 1.82 48.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 71.099999999999994 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.421 ' HB2' ' ND2' ' A' ' 476' ' ' ASN . 4.1 mmt-85 -111.35 -72.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 72.430000000000007 110.207 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 3.5 pt20 -119.4 -36.82 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.417 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.43 55.5 29.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.0 m -127.76 107.69 20.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 53.340000000000003 109.983 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.97 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.566 1.824 . . . . 74.340000000000003 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.45 33.61 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 451' ' ' PHE . 26.2 p -107.02 34.55 3.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 62.420000000000002 108.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.892 ' O ' HD13 ' A' ' 487' ' ' ILE . 45.9 t -129.98 136.38 58.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 65.209999999999994 109.24 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.7 mm -141.46 101.52 6.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 65.219999999999999 109.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.456 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.532 1.806 . . . . 74.099999999999994 110.991 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.483 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.4 t80 -80.08 158.42 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 73.5 110.971 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.464 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -143.0 101.14 5.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.319999999999993 109.361 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.475 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.56 1.821 . . . . 74.230000000000004 110.99 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.646 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.8 mp -76.78 -27.75 55.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.439999999999998 109.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.06 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 110.257 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.6 m -118.99 173.08 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 61.329999999999998 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.8 165.27 23.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 70.200000000000003 109.948 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.464 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.0 -32.95 4.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 72.329999999999998 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.82 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 64.019999999999996 109.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.37 -9.61 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 110.26 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.886 HD12 HG21 ' A' ' 503' ' ' THR . 4.2 mt -97.3 163.0 13.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 50.0 m -66.26 161.32 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 74.120000000000005 110.016 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 44.0 t -65.17 -11.18 37.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 42.509999999999998 109.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.4 m-20 -81.39 -40.01 24.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 73.439999999999998 109.251 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.886 HG21 HD12 ' A' ' 499' ' ' LEU . 1.4 m -41.96 -38.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 70.430000000000007 110.418 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.68 89.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.471 1.107 . . . . 62.549999999999997 109.248 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 30.5 t -73.98 -18.52 60.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.956 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 58.4 mt -76.22 -35.33 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.210000000000001 109.225 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.8 pp -110.42 16.3 21.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 70.140000000000001 109.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 107.4 6.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 74.439999999999998 109.997 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.29 -24.31 7.78 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 70.340000000000003 111.077 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.46 -178.81 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 0.718 . . . . 63.350000000000001 109.275 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 76.1 t -108.97 99.68 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.209999999999994 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 496' ' ' PRO . 4.1 ttm180 -66.89 121.56 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 73.450000000000003 110.376 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 524' ' ' VAL . 4.4 tp -83.25 153.2 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 62.450000000000003 109.364 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 3.4 m-20 -135.88 167.54 21.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 72.400000000000006 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 11.7 tt0 -126.33 1.78 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 70.349999999999994 110.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.7 11.65 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 55.240000000000002 109.591 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 519' ' ' ILE . 2.0 t -99.25 137.3 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 74.239999999999995 110.062 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.75 -2.24 38.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 110.308 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.58 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.29 -35.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.985 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.706 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.99 -47.17 74.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 40.119999999999997 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.709 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -74.21 -21.53 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 65.439999999999998 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.7 mmmt -72.99 -42.33 63.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.934 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -77.84 -44.4 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 63.43 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.67 -9.15 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 63.210000000000001 109.324 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.4 m-20 -86.72 -49.9 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 70.310000000000002 109.378 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.9 t -85.15 -54.97 4.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.439999999999998 110.368 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 453' ' ' ILE . 41.9 m-85 -84.03 47.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 111.041 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.625 ' O ' HD23 ' A' ' 533' ' ' LEU . 66.0 mttt -54.92 159.36 3.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.066 . . . . 75.140000000000001 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 54.009999999999998 111.025 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 7.6 p80 -56.77 -18.1 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 74.310000000000002 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 1.3 mpt_? -99.51 -42.0 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 65.329999999999998 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 529' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 8.2 m-30 . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.535 0.207 . . . . 74.430000000000007 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.5 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.8 m-80 -111.58 -14.22 13.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 51.409999999999997 109.253 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.776 ' CD2' HD12 ' A' ' 453' ' ' ILE . 3.2 p90 -165.5 147.82 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -106.4 114.61 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 72.209999999999994 109.322 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.774 HD11 ' HE2' ' A' ' 397' ' ' PHE . 41.3 mt -89.48 101.41 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 63.340000000000003 109.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 427' ' ' PHE . 2.3 mm? -79.81 122.71 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.299999999999997 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.5 p80 -157.32 165.14 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.618 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.69 -162.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.150000000000006 109.277 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.12 -11.54 21.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 75.150000000000006 110.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.52 16.63 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.708 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.3 OUTLIER -123.89 26.44 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.5 109.264 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 22.4 tt0 -66.89 -76.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 110.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 408' ' ' ILE . 8.5 p-80 -38.34 -31.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 71.129999999999995 109.536 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 407' ' ' HIS . 22.8 mt -63.65 -57.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.310000000000002 109.35 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -63.45 -50.43 69.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.019999999999996 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.4 mt -49.55 -24.96 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.439999999999998 109.379 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -80.35 -33.13 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 62.200000000000003 110.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.7 t -74.12 -54.27 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 62.549999999999997 109.262 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.466 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 8.5 mtm180 -36.56 -49.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 61.020000000000003 110.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 415' ' ' LYS . 95.0 mt-10 -66.53 -59.01 4.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 54.439999999999998 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.69 -50.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 75.140000000000001 109.298 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 97.0 mt -48.92 -57.3 6.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 74.420000000000002 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 34.2 mt-10 -38.52 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 63.32 110.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -66.02 -54.5 25.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.48 1.112 . . . . 51.299999999999997 109.358 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.855 HD13 HG11 ' A' ' 524' ' ' VAL . 1.9 mt -65.91 -45.72 80.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 62.219999999999999 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.63 -71.75 0.13 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.444 1.09 . . . . 70.219999999999999 110.936 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.62 137.53 1.08 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 71.040000000000006 109.297 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' A' ' 417' ' ' GLU . 18.2 Cg_endo -74.91 -167.9 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 73.420000000000002 111.04 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.503 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -55.11 -45.49 75.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.329 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.713 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.22 -94.93 1.81 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 52.329999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.76 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 71.519999999999996 109.262 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 7.1 p -151.82 142.9 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 54.539999999999999 110.393 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.598 ' HB2' HD22 ' A' ' 400' ' ' LEU . 3.3 m-30 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.319999999999993 110.953 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 5.1 pt20 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.361 -0.237 . . . . 62.420000000000002 110.361 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 23.3 t70 -60.99 -15.41 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 74.510000000000005 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 72.219999999999999 109.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.68 HG22 HE22 ' A' ' 480' ' ' GLN . 6.2 mt -56.61 -31.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 74.329999999999998 109.368 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.588 ' OD2' ' CE1' ' A' ' 448' ' ' HIS . 4.8 p-10 -96.77 -56.73 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.230000000000004 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.588 ' CE1' ' OD2' ' A' ' 447' ' ' ASP . 1.6 m-70 -60.87 -62.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 109.591 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 445' ' ' ALA . 1.1 p -71.31 157.68 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 64.439999999999998 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 533' ' ' LEU . . . -71.85 -78.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 53.409999999999997 109.255 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.2 m-85 -116.38 129.1 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 72.109999999999999 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 398' ' ' VAL . 27.4 mm -69.17 129.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 397' ' ' PHE . 2.9 mt -106.96 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.526 HD12 ' CB ' ' A' ' 465' ' ' SER . 2.6 mm? -102.93 104.85 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 457' ' ' THR . 8.6 tp -69.85 86.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 73.409999999999997 109.323 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 488' ' ' PRO . 7.8 mt -65.57 92.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 63.310000000000002 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.708 HG21 ' OD2' ' A' ' 405' ' ' ASP . 16.5 p -129.96 145.2 51.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 110.37 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 82.1 p -56.87 -18.11 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.129999999999995 109.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -86.31 -25.75 25.28 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 62.210000000000001 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 49.3 t80 -107.38 172.59 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 63.439999999999998 110.995 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -115.4 141.26 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.662 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.4 m -92.09 -54.85 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 31.34 108.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.3 OUTLIER -38.64 -57.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.209999999999994 110.37 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.437 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 1.4 tm? -44.67 -65.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.030000000000001 109.313 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.526 ' CB ' HD12 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.0 -62.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 53.310000000000002 109.9 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.3 OUTLIER -51.66 -23.08 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.321 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 463' ' ' ARG . 0.2 OUTLIER -86.57 -28.96 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 71.019999999999996 109.582 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 465' ' ' SER . 9.0 mt-30 -83.06 -62.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 62.530000000000001 110.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.3 p -42.12 -43.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.649 ' ND2' HD22 ' A' ' 466' ' ' LEU . 2.0 m-80 -61.45 -67.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 1.184 . . . . 72.319999999999993 109.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.0 mm100 -38.63 -46.46 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 54.009999999999998 110.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -61.96 -51.69 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 44.149999999999999 109.355 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.492 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 4.4 mtt -51.5 -68.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 111.056 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.785 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -55.59 -17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 74.129999999999995 110.934 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 4.4 m -84.49 -27.24 27.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 54.310000000000002 109.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 48.7 t30 -137.81 86.88 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 54.340000000000003 109.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.785 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.6 mt -111.03 -20.71 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.109999999999999 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.4 t -77.01 0.8 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 61.439999999999998 110.389 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 7.6 mmt85 -103.2 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 110.324 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.68 HE22 HG22 ' A' ' 446' ' ' ILE . 3.3 pt20 -116.7 -35.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 75.099999999999994 110.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 42.26 54.56 4.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 53.520000000000003 110.975 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 4.7 m -113.13 94.76 31.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.120000000000005 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.478 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -75.01 1.17 8.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.55 1.816 . . . . 70.230000000000004 111.042 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.57 26.58 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 63.210000000000001 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.446 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 32.0 p -107.01 24.41 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 65.209999999999994 108.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 1.029 ' O ' HD13 ' A' ' 487' ' ' ILE . 4.4 t -111.12 124.82 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.219999999999999 109.365 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 1.029 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.0 mm -137.55 94.89 11.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.200000000000003 109.224 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.659 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 100.9 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 74.230000000000004 110.993 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 454' ' ' LEU . 6.1 t80 -78.06 168.49 19.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 61.049999999999997 110.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -151.31 100.42 2.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 54.200000000000003 109.346 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -74.93 147.57 34.43 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.405 1.74 . . . . 72.340000000000003 111.038 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.4 mp -53.65 -39.18 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 73.140000000000001 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.94 -28.6 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.439999999999998 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -114.91 177.74 4.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 71.340000000000003 110.049 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.39 159.33 42.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 54.119999999999997 110.061 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.658 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.96 -25.9 11.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 72.439999999999998 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -68.4 -22.62 64.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 54.420000000000002 109.241 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 5.0 mt-30 -77.14 -10.37 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.662 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.5 mt -96.88 160.29 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 109.294 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 158.73 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.591 1.182 . . . . 42.119999999999997 110.02 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 12.4 t -67.79 -10.14 50.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 42.350000000000001 109.944 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 505' ' ' SER . 27.1 m-20 -80.82 -37.34 30.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.379 1.049 . . . . 74.439999999999998 109.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 507' ' ' LEU . 19.5 m -41.35 -53.31 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 72.140000000000001 110.385 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.11 -39.99 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 75.019999999999996 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 502' ' ' ASP . 67.2 m -79.07 -27.17 43.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 64.019999999999996 110.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.7 mt -66.44 -26.45 67.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.483 1.114 . . . . 74.030000000000001 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.83 24.77 7.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 73.409999999999997 109.292 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -31.73 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.088 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -104.94 -29.38 5.25 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 61.420000000000002 110.944 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.85 -178.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 72.140000000000001 109.294 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.2 t -119.7 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 72.319999999999993 109.323 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 507' ' ' LEU . 12.4 ttp180 -53.68 105.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 71.049999999999997 110.281 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.571 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.8 tp -83.55 130.34 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 54.530000000000001 109.342 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.54 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 14.6 m-20 -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.42 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 19.8 tp10 -114.91 -13.15 11.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.147 . . . . 74.239999999999995 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.453 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -97.12 -18.91 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 64.510000000000005 109.59 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.83 134.41 46.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 110.052 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.13 4.06 21.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 64.420000000000002 110.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.734 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.17 -25.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.296 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.0 t80 -40.16 -35.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 73.400000000000006 111.049 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.75 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.73 -47.35 73.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.265 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.705 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.46 -19.0 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 64.209999999999994 110.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.734 ' CD ' HD11 ' A' ' 519' ' ' ILE . 18.1 mmmt -75.19 -44.37 46.92 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 63.340000000000003 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -72.78 -40.53 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.378 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.66 -3.13 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 72.25 109.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -97.77 -33.96 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 73.439999999999998 109.296 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.7 t -100.99 -54.55 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 52.0 m-85 -84.91 56.76 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 111.049 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.9 mttt -72.03 154.57 92.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -10.59 21.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 64.099999999999994 110.965 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.56 -12.0 21.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 65.129999999999995 109.557 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.407 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 19.3 mmt180 -97.62 -42.32 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 74.310000000000002 110.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.7 mm? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.035 . . . . 73.209999999999994 109.322 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 425' ' ' ALA . 14.4 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.531 0.205 . . . . 74.340000000000003 111.002 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.774 ' OD1' HD13 ' A' ' 533' ' ' LEU . 21.3 m-80 -113.36 -12.84 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 75.239999999999995 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.925 ' CD2' HD12 ' A' ' 453' ' ' ILE . 18.7 p90 -172.16 127.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.989 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.947 HG12 HG23 ' A' ' 452' ' ' ILE . 2.7 p -89.33 107.28 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 70.5 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.721 HD11 ' HE2' ' A' ' 397' ' ' PHE . 77.1 mt -74.22 98.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 62.450000000000003 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 427' ' ' PHE . 1.6 mt -80.88 103.89 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 75.420000000000002 109.361 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.606 ' CB ' HD23 ' A' ' 455' ' ' LEU . 18.2 p80 -136.61 172.45 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 62.43 109.534 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -66.9 -161.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.372 1.045 . . . . 72.530000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -27.42 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 72.430000000000007 110.349 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -95.6 16.84 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 35.229999999999997 109.323 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.4 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.6 OUTLIER -121.42 27.69 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 62.32 109.24 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.0 tt0 -65.59 -75.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 408' ' ' ILE . 9.9 p-80 -38.02 -36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.622 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.521 HG13 ' CE1' ' A' ' 407' ' ' HIS . 41.8 mt -58.26 -60.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.399 1.062 . . . . 75.420000000000002 109.259 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -60.65 -51.87 67.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 61.219999999999999 109.341 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -50.32 -27.76 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 71.420000000000002 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -78.23 -31.31 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 73.420000000000002 110.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -76.27 -55.14 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 64.209999999999994 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -34.57 -49.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 71.450000000000003 110.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 415' ' ' LYS . 68.0 mm-40 -68.15 -58.45 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 70.109999999999999 110.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -39.9 -56.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 73.200000000000003 109.233 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.95 ' HB3' HG13 ' A' ' 421' ' ' VAL . 46.0 mt -39.32 -56.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.209999999999994 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' LEU . 17.3 mt-10 -36.8 -49.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 54.109999999999999 110.415 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -47.72 -48.25 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 109.386 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 521' ' ' ALA . 3.6 mt -71.52 -46.03 60.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 61.409999999999997 109.315 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 166.87 -72.57 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 61.329999999999998 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.95 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.37 137.02 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.408 0.711 . . . . 74.420000000000002 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.01 -169.13 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.53 1.805 . . . . 51.530000000000001 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.514 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -53.72 -46.51 70.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 65.329999999999998 109.325 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.77 -94.34 1.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 54.299999999999997 111.044 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.72 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.737 . . . . 53.210000000000001 109.4 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.6 p -146.61 168.39 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 54.340000000000003 110.356 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.587 ' CD2' HD21 ' A' ' 400' ' ' LEU . 11.3 t80 . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 73.310000000000002 111.02 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.56 ' O ' HG22 ' A' ' 446' ' ' ILE . 33.8 mt-30 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.26 -0.274 . . . . 75.219999999999999 110.26 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.4 t70 -76.01 -11.7 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 73.239999999999995 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.631 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -83.88 -18.69 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 42.229999999999997 109.233 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 452' ' ' ILE . 0.8 OUTLIER -76.29 -28.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.329 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.484 ' CB ' ' OE1' ' A' ' 480' ' ' GLN . 0.7 OUTLIER -104.07 -31.15 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 74.019999999999996 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 7.6 t60 -91.2 21.34 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 75.150000000000006 109.595 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.56 146.83 13.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.239999999999995 109.966 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -50.26 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 73.239999999999995 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -127.32 138.4 53.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 73.209999999999994 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.947 HG23 HG12 ' A' ' 398' ' ' VAL . 21.6 mm -74.74 130.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 70.120000000000005 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.925 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.3 mt -107.64 110.56 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.169 . . . . 73.049999999999997 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.928 HD12 ' CB ' ' A' ' 465' ' ' SER . 1.8 mm? -89.48 101.93 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 62.109999999999999 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.606 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.5 tp -67.3 81.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 507' ' ' LEU . 9.4 mt -64.16 91.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 54.539999999999999 109.377 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 81.6 p -127.88 154.32 45.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 44.399999999999999 110.439 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.3 m -62.29 -14.82 43.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 65.230000000000004 109.904 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.709 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.1 m-20 -92.41 -15.46 27.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 75.019999999999996 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 465' ' ' SER . 26.5 t80 -113.25 174.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.299999999999997 111.043 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 3.0 m-20 -121.09 138.36 54.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.019999999999996 109.314 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.6 m -94.0 -48.33 6.3 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 62.109999999999999 108.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.3 mtt85 -47.05 -24.28 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 75.239999999999995 110.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.7 tm? -88.55 -70.44 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.928 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.1 p -48.27 -58.56 4.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 60.130000000000003 110.02 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 466' ' ' LEU . 2.5 tm? -51.36 -22.54 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 72.239999999999995 109.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -92.97 -26.05 17.72 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.43 1.081 . . . . 63.219999999999999 109.571 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 465' ' ' SER . 4.5 mt-30 -85.47 -10.41 56.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 75.319999999999993 110.288 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 470' ' ' ASN . 7.8 p -99.31 -52.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 65.109999999999999 109.377 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.543 ' N ' HG13 ' A' ' 469' ' ' VAL . 1.9 m-80 -48.41 -43.57 34.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 64.239999999999995 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 475' ' ' SER . 23.7 mm-40 -69.94 -39.88 75.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 73.109999999999999 110.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.611 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -54.87 -19.95 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.479 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.8 mtt -88.19 -66.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 60.310000000000002 110.937 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.469 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.7 ptm -61.73 -12.49 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 72.150000000000006 110.883 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 20.1 t -95.92 -13.86 23.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.164 . . . . 62.130000000000003 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 50.3 t30 -148.9 86.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 64.540000000000006 109.26 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 473' ' ' MET . 6.8 mt -110.96 -20.45 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.129999999999995 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.8 t -77.28 0.87 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 63.229999999999997 110.371 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 4.9 mmm180 -103.34 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 74.310000000000002 110.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.484 ' OE1' ' CB ' ' A' ' 447' ' ' ASP . 5.4 pm0 -115.2 -31.63 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.120000000000005 110.245 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 50.5 53.93 22.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 72.030000000000001 111.02 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 97.3 p -113.21 94.8 32.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 62.450000000000003 109.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.98 8.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 74.239999999999995 110.973 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.15 43.61 2.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 61.240000000000002 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 446' ' ' ILE . 27.0 p -111.12 36.48 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 108.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.866 ' HB ' HD22 ' A' ' 510' ' ' LEU . 2.3 t -119.69 121.69 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 61.450000000000003 109.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.635 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 4.8 mm -131.65 90.04 37.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 109.261 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.594 ' HG3' HD12 ' A' ' 510' ' ' LEU . 18.7 Cg_endo -74.89 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.424 1.749 . . . . 52.219999999999999 111.065 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.9 t80 -77.82 168.86 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 495' ' ' SER . 1.0 OUTLIER -148.54 98.86 3.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 71.310000000000002 109.319 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.11 168.42 24.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 71.239999999999995 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.4 mp -74.71 -26.13 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.5 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.416 ' CB ' HD11 ' A' ' 408' ' ' ILE . 4.2 mm-40 -63.72 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 110.39 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 21.3 m -121.82 178.53 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 42.240000000000002 109.96 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.31 163.65 27.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 61.439999999999998 110.049 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.442 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.02 -31.92 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 74.519999999999996 111.022 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.06 69.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 30.309999999999999 109.386 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -7.41 51.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.317 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 503' ' ' THR . 9.6 mt -98.32 163.19 12.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 64.150000000000006 109.304 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.85 159.01 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.02 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -68.88 -12.73 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 73.129999999999995 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -86.69 -36.21 18.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 72.239999999999995 109.317 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.852 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -43.47 -26.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 71.239999999999995 110.454 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -68.38 -48.48 64.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 65.209999999999994 109.247 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 502' ' ' ASP . 12.4 t -75.41 -19.19 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 55.549999999999997 110.01 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 503' ' ' THR . 19.0 mt -76.29 -28.5 57.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.195 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 456' ' ' LEU . 3.9 pp -112.89 15.0 19.87 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.563 1.165 . . . . 64.049999999999997 109.258 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.61 98.03 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 73.409999999999997 110.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 132.05 -12.72 5.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 72.5 111.016 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.866 HD22 ' HB ' ' A' ' 486' ' ' VAL . 7.8 mt -90.03 171.81 9.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 62.140000000000001 109.245 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 511' ' ' VAL . 25.1 t -108.05 85.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 72.040000000000006 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 17.4 ttp180 -71.36 129.13 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 65.319999999999993 110.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.635 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -100.73 169.88 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.510000000000005 109.329 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -140.8 137.69 33.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.310000000000002 109.248 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 11.0 tp10 -93.23 5.62 50.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 61.039999999999999 110.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.439 ' NE2' ' OD1' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -127.87 15.56 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 65.219999999999999 109.614 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . 0.425 ' OG ' HG23 ' A' ' 519' ' ' ILE . 8.1 t -104.69 152.42 22.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.019999999999996 110.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.0 -1.59 48.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 63.420000000000002 110.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.793 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.99 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.775 ' CE2' HD11 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -40.61 -33.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.91 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -58.07 -46.8 84.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 51.43 109.386 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.23 -22.75 60.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 75.230000000000004 110.365 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.793 ' CD ' HD11 ' A' ' 519' ' ' ILE . 26.4 mmmt -71.65 -52.49 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.668 HG11 HD13 ' A' ' 419' ' ' LEU . 0.9 OUTLIER -64.7 -38.12 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.643 1.214 . . . . 71.340000000000003 109.343 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.15 -2.89 29.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 65.540000000000006 109.366 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -102.54 -35.27 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 75.219999999999999 109.255 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 1.0 OUTLIER -95.76 -52.89 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 110.405 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 453' ' ' ILE . 37.0 m-85 -89.23 41.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 53.100000000000001 111.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.67 ' O ' HD23 ' A' ' 533' ' ' LEU . 30.6 mttt -40.79 160.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.226 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 75.200000000000003 111.054 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.2 OUTLIER -52.91 -20.9 3.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 64.430000000000007 109.614 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.64 -35.55 17.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 110.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.774 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.467 0.175 . . . . 65.450000000000003 111.028 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.737 ' ND2' HD12 ' A' ' 533' ' ' LEU . 34.0 m-20 -113.78 -11.35 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 65.400000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.886 ' CD2' HD12 ' A' ' 453' ' ' ILE . 9.8 p90 -173.1 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.219999999999999 110.923 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.938 HG12 HG23 ' A' ' 452' ' ' ILE . 2.5 p -95.2 113.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.812 HD11 ' HE2' ' A' ' 397' ' ' PHE . 68.0 mt -85.47 103.13 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.0 mt -79.1 129.39 34.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 63.549999999999997 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 409' ' ' ALA . 2.1 p80 -166.02 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.624 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.642 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.98 155.49 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 109.327 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -15.87 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.129999999999995 110.283 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -97.06 17.27 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.642 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 30.8 m-20 -138.94 22.46 2.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 72.209999999999994 109.307 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 20.3 tt0 -65.53 -71.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 406' ' ' GLU . 16.1 p-80 -37.06 -36.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 72.140000000000001 109.572 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 493' ' ' GLU . 36.2 mt -59.9 -60.94 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 70.219999999999999 109.272 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.536 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -58.1 -51.52 69.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 53.350000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.6 mt -48.72 -28.01 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 109.236 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -77.16 -33.49 56.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 110.33 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.9 t -75.0 -53.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.09 -48.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 73.319999999999993 110.254 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 58.2 mt-10 -68.85 -59.78 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.420000000000002 110.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -55.23 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 71.209999999999994 109.276 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 96.0 mt -41.01 -56.61 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.296 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 7.3 mt-10 -35.78 -42.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.26 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -52.58 -54.44 32.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 524' ' ' VAL . 1.6 mt -65.98 -45.73 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 61.439999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.78 -69.95 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.34 137.72 0.98 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.448 0.734 . . . . 73.430000000000007 109.288 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.08 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.396 1.735 . . . . 75.310000000000002 110.974 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.496 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.2 p-10 -58.86 -44.68 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 64.319999999999993 109.268 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.08 -94.56 1.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 55.409999999999997 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.11 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.593 0.82 . . . . 61.200000000000003 109.226 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 7.3 p -149.47 146.81 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.357 1.036 . . . . 64.420000000000002 110.4 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.628 ' HB2' HG22 ' A' ' 398' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 63.229999999999997 111.033 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.455 ' CB ' ' CB ' ' A' ' 472' ' ' ALA . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.303 -0.258 . . . . 70.219999999999999 110.303 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.7 m-20 -61.61 -20.2 63.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.556 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -85.24 -35.37 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 72.010000000000005 109.321 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 469' ' ' VAL . 3.6 mt -62.82 -23.96 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -102.53 -57.72 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 75.140000000000001 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 15.8 m170 -64.71 -54.81 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.409999999999997 109.573 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.418 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -79.99 154.12 28.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 74.450000000000003 109.994 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -65.95 -75.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 62.140000000000001 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.568 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 5.0 m-85 -124.74 136.89 54.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.988 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.938 HG23 HG12 ' A' ' 398' ' ' VAL . 17.7 mm -76.56 131.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.067 . . . . 62.310000000000002 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.886 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.7 mt -107.05 122.3 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 109.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 465' ' ' SER . 2.2 mt -99.99 100.03 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.209999999999994 109.248 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -64.85 82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.372 1.045 . . . . 74.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' ' 499' ' ' LEU . 8.6 mt -62.24 90.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 75.099999999999994 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 455' ' ' LEU . 43.3 p -124.43 152.22 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 71.530000000000001 110.416 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 34.9 t -61.79 -13.84 27.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.29 -22.61 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 75.120000000000005 109.264 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.2 t80 -102.82 167.49 9.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 62.329999999999998 111.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -112.61 133.5 54.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 75.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.582 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.6 m -78.93 -60.69 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 108.24 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 1.7 mmm180 -39.64 -31.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 75.150000000000006 110.288 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -65.83 -71.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 72.450000000000003 109.328 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 454' ' ' LEU . 6.9 p -39.16 -61.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.976 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.8 tm? -51.78 -40.06 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 74.319999999999993 109.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 464' ' ' LEU . 19.6 t60 -69.69 -24.29 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.61 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 464' ' ' LEU . 5.7 mt-30 -85.64 -71.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 110.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 446' ' ' ILE . 13.2 p -40.3 -39.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 63.539999999999999 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -51.61 -66.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.439999999999998 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 475' ' ' SER . 1.9 mt-30 -42.16 -46.26 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.378 1.049 . . . . 60.240000000000002 110.259 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.672 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -58.58 -44.0 89.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.420000000000002 109.293 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 9.5 mtt -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 61.149999999999999 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.403 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.9 OUTLIER -66.06 -9.1 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 110.98 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 2.9 t -77.86 -52.51 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 54.409999999999997 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.439 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 9.6 p-10 -137.63 91.75 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 44.399999999999999 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 473' ' ' MET . 16.1 mt -87.82 -40.41 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 72.25 109.295 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.0 t -60.91 -14.13 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 74.530000000000001 110.401 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.12 -78.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 52.310000000000002 110.349 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -113.93 -30.83 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 110.263 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 480' ' ' GLN . . . 36.94 51.19 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 54.130000000000003 110.975 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.9 m -113.03 94.93 32.38 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 73.310000000000002 110.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.488 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.09 0.33 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.668 1.878 . . . . 62.450000000000003 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.88 16.21 21.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.397 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.448 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 24.1 p -94.64 27.35 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 108.369 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.57 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.3 t -118.92 112.07 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 63.350000000000001 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.714 HG22 HD22 ' A' ' 513' ' ' LEU . 3.3 mm -127.17 95.81 35.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.1 Cg_endo -74.98 102.05 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 63.509999999999998 110.975 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.622 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -78.02 159.72 28.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 71.450000000000003 111.019 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -139.37 97.73 8.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 65.109999999999999 109.23 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.645 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 145.84 31.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 72.109999999999999 110.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.686 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.5 mt -58.4 -17.17 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 72.099999999999994 109.292 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.523 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.4 mm-40 -71.37 -28.14 63.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 63.210000000000001 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 15.2 m -122.03 -176.31 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.020000000000003 109.933 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.04 163.13 30.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 61.130000000000003 109.955 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -30.14 7.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 73.109999999999999 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.2 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 64.299999999999997 109.331 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.2 mt-30 -69.52 -10.15 56.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.072 . . . . 74.040000000000006 110.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 456' ' ' LEU . 4.8 mt -100.69 167.22 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 54.109999999999999 109.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 29.2 m -68.82 159.03 33.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 75.549999999999997 110.077 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 42.0 t -69.81 -12.02 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.379 1.05 . . . . 71.040000000000006 110.027 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 505' ' ' SER . 11.3 m-20 -82.53 -35.67 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.048 . . . . 64.430000000000007 109.245 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.883 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.9 m -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 71.540000000000006 110.406 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.39 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 34.119999999999997 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 502' ' ' ASP . 14.6 t -74.95 -23.0 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 503' ' ' THR . 33.0 mt -69.42 -35.81 76.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 54.43 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.28 19.41 18.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 72.019999999999996 109.327 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.3 t -59.37 103.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 73.040000000000006 109.937 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.88 -24.17 10.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.219999999999999 110.963 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.22 -175.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 74.209999999999994 109.238 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.467 HG13 ' HE2' ' A' ' 523' ' ' LYS . 5.8 t -123.02 106.99 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 61.439999999999998 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 9.1 ttp-105 -78.55 132.02 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 54.539999999999999 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.714 HD22 HG22 ' A' ' 487' ' ' ILE . 0.2 OUTLIER -100.68 146.52 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.1 m-20 -145.61 131.37 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 60.439999999999998 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.561 ' HB2' HD21 ' A' ' 492' ' ' LEU . 1.1 mt-10 -73.84 -3.4 28.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 110.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.686 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.3 p-80 -120.88 45.16 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.129999999999995 109.508 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t -136.37 126.05 25.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 70.010000000000005 109.97 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -74.72 -2.01 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 64.319999999999993 110.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.61 -28.37 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.225 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 0.2 OUTLIER -39.21 -36.83 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.020000000000003 111.04 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.34 -47.65 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.109999999999999 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -72.32 -23.02 61.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.140000000000001 110.308 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.772 ' CD ' HD11 ' A' ' 519' ' ' ILE . 23.2 mmmt -70.82 -44.62 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 109.294 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 419' ' ' LEU . 2.1 p -76.1 -43.22 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 61.509999999999998 109.318 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.83 -9.77 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.420000000000002 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.3 m-20 -85.12 -53.8 5.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 63.310000000000002 109.25 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 528' ' ' PHE . 11.8 t -79.14 -53.7 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 61.539999999999999 110.363 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 453' ' ' ILE . 56.9 m-85 -86.67 59.02 5.39 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.575 1.172 . . . . 74.140000000000001 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.519 ' O ' HD23 ' A' ' 533' ' ' LEU . 56.2 mttt -69.54 153.75 95.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.062 . . . . 32.43 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.98 9.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 73.019999999999996 110.986 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -71.5 -11.11 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.349999999999994 109.649 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -101.99 -52.5 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 110.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.737 HD12 ' ND2' ' A' ' 396' ' ' ASN . 2.5 mm? . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 71.140000000000001 109.325 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 17.6 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.529 0.204 . . . . 72.140000000000001 110.982 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 533' ' ' LEU . 2.2 m-80 -122.42 -0.35 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.140000000000001 109.225 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.849 ' CE2' HD12 ' A' ' 416' ' ' LEU . 9.7 p90 -178.78 166.96 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 110.984 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 427' ' ' PHE . 2.5 t -130.35 100.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 71.420000000000002 109.266 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 397' ' ' PHE . 68.4 mt -76.58 96.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 73.310000000000002 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.917 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -76.28 116.36 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 63.25 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.545 ' CB ' HD23 ' A' ' 455' ' ' LEU . 19.4 p80 -146.85 175.01 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.200000000000003 109.587 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -71.49 -163.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -13.12 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 33.340000000000003 110.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 16.71 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.431 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -123.6 30.63 6.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 61.420000000000002 109.264 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.523 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.3 tt0 -67.07 -76.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 110.301 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.535 ' CE1' HG13 ' A' ' 408' ' ' ILE . 5.7 p-80 -37.26 -42.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 109.622 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.535 HG13 ' CE1' ' A' ' 407' ' ' HIS . 69.7 mt -55.16 -58.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.200000000000003 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.99 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 74.5 109.251 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 406' ' ' GLU . 10.0 mp -60.21 -15.52 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 109.261 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -78.62 -23.96 45.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 71.120000000000005 110.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.8 t -90.1 -53.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 72.409999999999997 109.381 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.471 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 7.4 mtm180 -35.69 -40.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.567 1.167 . . . . 71.530000000000001 110.322 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.97 -53.15 11.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.430000000000007 110.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 412' ' ' VAL . 0.4 OUTLIER -53.97 -24.79 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 65.109999999999999 109.306 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.974 ' HB3' HG13 ' A' ' 421' ' ' VAL . 9.0 mt -69.7 -33.87 73.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 55.219999999999999 109.34 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.06 -8.12 54.97 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 42.240000000000002 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -96.49 -3.11 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 50.049999999999997 109.287 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.695 HD13 HG11 ' A' ' 524' ' ' VAL . 3.7 mt -118.49 -42.19 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 72.219999999999999 109.306 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 166.98 -65.6 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.575 1.172 . . . . 73.120000000000005 111.015 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.974 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.2 p -52.14 143.04 26.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.386 0.698 . . . . 65.299999999999997 109.369 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.94 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 72.340000000000003 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.9 OUTLIER -71.4 -17.04 62.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.150000000000006 109.321 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 54.32 -95.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.429 1.08 . . . . 60.520000000000003 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.98 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 32.549999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.9 p -151.65 145.19 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 63.32 110.358 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.605 ' HB2' HG13 ' A' ' 398' ' ' VAL . 18.9 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 74.209999999999994 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 12.8 mt-30 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.275 -0.269 . . . . 74.439999999999998 110.275 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.539 ' CG ' ' CD2' ' A' ' 448' ' ' HIS . 7.1 t0 -67.39 -28.51 67.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 73.329999999999998 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 398' ' ' VAL . . . -72.79 -5.75 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 72.239999999999995 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.546 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 8.6 mt -104.37 -21.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.54 ' OD1' ' CG ' ' A' ' 448' ' ' HIS . 3.8 p-10 -103.66 -12.38 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 62.219999999999999 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.54 ' CG ' ' OD1' ' A' ' 447' ' ' ASP . 5.3 m-70 -115.39 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 109.576 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.453 ' OG ' ' CA ' ' A' ' 397' ' ' PHE . 0.1 OUTLIER -70.92 163.31 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 64.209999999999994 109.989 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -75.68 -76.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 72.25 109.397 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 1.4 m-85 -123.72 136.16 54.28 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.449 1.093 . . . . 64.120000000000005 110.978 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 445' ' ' ALA . 2.7 mm -77.17 138.6 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 75.239999999999995 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.548 HG21 HG12 ' A' ' 399' ' ' ILE . 5.9 mt -111.93 113.8 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 465' ' ' SER . 0.7 OUTLIER -92.7 93.03 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 63.329999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 489' ' ' PHE . 9.6 tp -63.47 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 60.409999999999997 109.242 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 488' ' ' PRO . 7.6 mt -62.34 84.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 75.549999999999997 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.476 HG22 ' CD ' ' A' ' 491' ' ' PRO . 37.7 p -123.99 150.83 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 110.482 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -15.46 36.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 72.349999999999994 110.069 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.77 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 50.4 m-20 -89.27 -18.32 27.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 62.119999999999997 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.917 ' CE1' HD22 ' A' ' 400' ' ' LEU . 50.7 t80 -115.54 168.97 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 73.450000000000003 111.063 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.569 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 5.5 t0 -107.76 130.17 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 53.5 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.92 -53.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 43.299999999999997 108.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -38.88 -45.74 1.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.083 . . . . 71.319999999999993 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.1 tm? -73.1 -57.88 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 62.509999999999998 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.916 ' HB2' HD12 ' A' ' 454' ' ' LEU . 6.7 p -38.84 -62.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 64.540000000000006 110.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.506 HD13 ' CG ' ' A' ' 470' ' ' ASN . 2.3 tm? -52.32 -39.23 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 63.450000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.0 t60 -58.44 -45.98 87.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 75.450000000000003 109.646 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.498 ' OE1' HD11 ' A' ' 400' ' ' LEU . 10.5 mt-30 -60.15 -70.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 64.319999999999993 110.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.006 HG21 HG22 ' A' ' 486' ' ' VAL . 8.7 p -45.01 -40.23 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 73.25 109.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.506 ' CG ' HD13 ' A' ' 466' ' ' LEU . 0.9 OUTLIER -59.62 -74.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 73.430000000000007 109.28 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.55 ' O ' ' HE3' ' A' ' 474' ' ' MET . 4.3 mm100 -38.26 -47.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 25.43 110.29 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -56.41 -51.92 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 54.109999999999999 109.313 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.74 ' HE1' HG23 ' A' ' 486' ' ' VAL . 19.9 mtt -54.93 -74.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 74.129999999999995 111.01 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.617 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -46.93 -23.59 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.441 1.088 . . . . 73.099999999999994 111.065 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 15.0 t -77.92 -37.31 48.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 72.230000000000004 110.045 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 473' ' ' MET . 49.6 t30 -137.41 92.73 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 65.120000000000005 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.0 mt -106.77 -25.66 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 72.439999999999998 109.256 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.2 t -61.63 -12.82 17.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 62.039999999999999 110.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -99.33 -69.81 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 72.219999999999999 110.242 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.546 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 0.0 OUTLIER -91.07 -51.11 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 65.430000000000007 110.292 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 51.64 23.66 10.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 42.32 111.008 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.7 m -120.91 102.08 44.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 70.430000000000007 110.062 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -74.95 0.38 8.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 75.140000000000001 111.049 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.94 -4.34 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.604 1.19 . . . . 74.439999999999998 109.339 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 29.5 m -62.23 -19.89 63.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.400000000000006 108.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 1.006 HG22 HG21 ' A' ' 469' ' ' VAL . 39.3 t -74.41 123.51 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 62.329999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.5 mm -127.12 93.65 41.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.030000000000001 109.331 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.461 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.97 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 74.420000000000002 110.975 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.608 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.2 t80 -84.55 158.17 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 70.400000000000006 110.966 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.9 tm? -140.66 105.63 6.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 63.119999999999997 109.322 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.06 172.24 16.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 71.049999999999997 110.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -75.69 -32.22 60.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.409999999999997 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.46 -37.67 83.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 71.319999999999993 110.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 0.7 OUTLIER -105.06 166.11 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 72.239999999999995 110.009 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.524 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.12 167.11 14.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 45.210000000000001 109.964 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.28 3.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.556 1.819 . . . . 73.310000000000002 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.76 -27.9 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 70.030000000000001 109.307 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.12 -13.31 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 70.209999999999994 110.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.737 ' CB ' HG21 ' A' ' 503' ' ' THR . 6.7 mt -93.06 169.87 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 63.039999999999999 109.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.2 t -63.3 -175.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 72.439999999999998 109.978 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -30.54 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.530000000000001 110.033 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 505' ' ' SER . 43.9 m-20 -76.54 -33.37 58.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.214 . . . . 72.319999999999993 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.892 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -45.0 -25.95 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 65.239999999999995 110.388 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.66 47.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.356 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -78.15 -15.8 58.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 110.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.7 mt -71.59 -28.3 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 63.520000000000003 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.0 pp -109.53 9.71 25.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 72.010000000000005 109.379 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.0 t -62.65 105.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 64.209999999999994 110.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.6 -22.19 12.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 110.95 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.37 -174.37 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 0.713 . . . . 74.109999999999999 109.3 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 511' ' ' VAL . 13.8 t -111.19 92.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.426 ' NE ' ' OD1' ' A' ' 514' ' ' ASP . 1.1 tmm_? -59.74 102.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.219999999999999 110.345 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 513' ' ' LEU . 6.7 tp -81.84 145.87 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 73.510000000000005 109.252 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.7 m-20 -140.38 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.294 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.3 tp10 -111.07 -30.0 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 61.109999999999999 110.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.17 21.84 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.400000000000006 109.578 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.3 t -106.04 135.37 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 75.310000000000002 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.69 -1.44 46.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 63.340000000000003 110.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.747 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.49 -25.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 73.409999999999997 109.29 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.2 t80 -40.17 -35.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 63.109999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.33 76.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 53.039999999999999 109.289 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.1 -19.37 60.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 70.099999999999994 110.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.747 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.8 mmmt -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 73.219999999999999 109.267 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.695 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -73.97 -40.6 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 73.150000000000006 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.54 -4.58 34.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 70.099999999999994 109.318 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 7.7 m-20 -95.12 -41.37 9.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 64.129999999999995 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.6 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 13.2 t -94.3 -53.45 3.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 71.120000000000005 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 65.0 m-85 -88.53 54.94 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.450000000000003 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.873 ' O ' HD23 ' A' ' 533' ' ' LEU . 23.1 mttt -64.88 153.73 87.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 44.119999999999997 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.98 11.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 71.25 110.987 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.652 ' CD2' ' CD ' ' A' ' 532' ' ' ARG . 52.8 p-80 -84.74 -12.86 52.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.430000000000007 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.652 ' CD ' ' CD2' ' A' ' 531' ' ' HIS . 0.7 OUTLIER -94.05 -19.19 21.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 110.231 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.277 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 5.5 m-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.515 0.198 . . . . 62.329999999999998 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.639 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 16.4 m-20 -107.31 -5.48 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 71.109999999999999 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.6 p90 -177.75 156.93 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 75.25 110.932 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.834 ' HB ' ' HB1' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -118.71 112.48 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.22 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 397' ' ' PHE . 76.7 mt -88.66 101.46 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.594 1.184 . . . . 71.140000000000001 109.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.627 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -88.4 97.69 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 70.140000000000001 109.258 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 14.9 p80 -128.48 165.3 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 74.5 109.647 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.661 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -59.93 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.307 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -100.22 -9.63 22.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.340000000000003 110.309 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.67 17.16 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.227 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -128.21 36.57 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 73.140000000000001 109.318 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 25.6 tt0 -69.82 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 51.409999999999997 110.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.455 ' CE1' HG13 ' A' ' 408' ' ' ILE . 3.1 p-80 -38.21 -35.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.608 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 407' ' ' HIS . 75.9 mt -58.06 -55.61 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 71.329999999999998 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.83 -48.31 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 60.240000000000002 109.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.2 mt -52.94 -22.26 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 65.530000000000001 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -82.71 -29.63 29.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.592 1.183 . . . . 62.420000000000002 110.161 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 489' ' ' PHE . 11.5 t -78.07 -52.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 73.040000000000006 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 6.5 mtm180 -37.52 -50.69 1.13 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 110.201 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 417' ' ' GLU . 81.7 mt-10 -66.73 -52.98 38.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 74.340000000000003 110.334 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -29.49 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 64.129999999999995 109.351 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.885 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.4 mt -71.49 -37.94 71.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 63.240000000000002 109.289 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.2 mt-10 -72.05 -8.17 53.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 74.5 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.78 -6.88 55.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.010000000000005 109.333 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.8 mt -118.76 -44.92 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 73.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.03 -72.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 110.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -45.24 141.58 3.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.544 0.791 . . . . 65.5 109.335 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.94 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 75.420000000000002 111.061 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.458 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 1.1 p30 -65.92 -19.11 65.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 61.140000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.701 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.58 -95.83 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 73.150000000000006 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.03 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.786 . . . . 71.219999999999999 109.323 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.2 p -152.13 134.15 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 53.299999999999997 110.399 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.46 ' O ' HD23 ' A' ' 400' ' ' LEU . 8.6 t80 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 71.109999999999999 110.975 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.507 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 5.2 mt-30 . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.297 -0.26 . . . . 63.240000000000002 110.297 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.3 m-20 -70.74 -41.3 72.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.834 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -74.26 -3.64 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 70.219999999999999 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 4.1 mt -88.79 -39.08 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.409999999999997 109.341 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.589 ' OD1' ' CD2' ' A' ' 448' ' ' HIS . 7.9 p30 -104.48 -9.65 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 63.119999999999997 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.589 ' CD2' ' OD1' ' A' ' 447' ' ' ASP . 3.9 m170 -115.14 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 50.539999999999999 109.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.69 159.85 27.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -66.99 -72.53 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.566 1.166 . . . . 25.210000000000001 109.245 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 450' ' ' ALA . 13.0 m-85 -134.19 136.32 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 64.400000000000006 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.697 HG23 HG12 ' A' ' 398' ' ' VAL . 36.1 mm -69.41 128.6 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 70.209999999999994 109.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.825 HD12 ' CD1' ' A' ' 397' ' ' PHE . 98.2 mt -107.1 122.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 109.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 465' ' ' SER . 0.6 OUTLIER -109.06 104.38 13.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.314 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 457' ' ' THR . 7.1 tp -68.78 79.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 462' ' ' CYS . 8.6 mt -64.62 90.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 73.120000000000005 109.206 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 455' ' ' LEU . 11.6 p -126.39 156.33 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.0 t -63.97 -12.19 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 65.150000000000006 109.969 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.4 m120 -97.12 -14.8 21.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.627 ' CE1' HD22 ' A' ' 400' ' ' LEU . 55.6 t80 -115.48 172.66 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 71.329999999999998 110.944 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.474 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.8 OUTLIER -114.72 132.07 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 65.329999999999998 109.354 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.551 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.3 p -93.89 -42.4 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 51.450000000000003 108.337 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.48 ' HD3' HD11 ' A' ' 506' ' ' LEU . 20.1 mmm-85 -50.21 -35.4 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 75.049999999999997 110.388 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 465' ' ' SER . 2.5 tm? -76.6 -74.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.257 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.947 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.0 OUTLIER -38.05 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 110.006 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' LEU . 9.7 tt -77.79 -54.41 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 75.219999999999999 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 0.6 OUTLIER -51.54 -49.68 61.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 62.43 109.674 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.465 ' HG3' HD22 ' A' ' 464' ' ' LEU . 11.3 mt-30 -58.01 -74.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 64.239999999999995 110.23 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 466' ' ' LEU . 3.3 p -39.96 -36.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.430000000000007 109.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -63.4 -74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 62.530000000000001 109.243 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.593 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 6.9 mm-40 -39.34 -38.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 70.219999999999999 110.269 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -65.52 -50.41 65.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 74.099999999999994 109.203 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 470' ' ' ASN . 1.5 mmt -59.17 -53.14 61.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 73.120000000000005 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.644 ' HA ' HD21 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -72.3 -3.17 22.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 73.140000000000001 111.013 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.6 t -90.18 -34.42 15.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 110.046 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.447 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 31.3 p-10 -124.65 65.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.383 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 474' ' ' MET . 12.6 mt -72.0 -32.14 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 109.367 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.2 t -74.44 -2.41 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.530000000000001 110.439 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 4.9 mmm180 -95.95 -71.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.7 pp0? -119.49 -35.22 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.209999999999994 110.361 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.552 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 41.59 33.83 1.05 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 53.130000000000003 111.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 473' ' ' MET . 2.1 m -110.15 99.65 40.58 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 62.219999999999999 109.994 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.55 8.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 34.520000000000003 110.916 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -94.67 13.41 24.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 71.329999999999998 109.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.65 37.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 108.37 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.839 ' O ' HD13 ' A' ' 487' ' ' ILE . 29.8 t -129.46 141.69 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 63.109999999999999 109.373 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 486' ' ' VAL . 7.3 mm -142.86 97.3 5.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 73.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.485 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.5 1.789 . . . . 74.319999999999993 111.006 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.1 165.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 111.046 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.1 tm? -149.47 103.14 3.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 71.129999999999995 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.492 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 170.26 20.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.452 1.764 . . . . 74.409999999999997 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -76.23 -24.94 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.408 ' CB ' ' CD1' ' A' ' 408' ' ' ILE . 42.5 mm-40 -64.02 -35.86 82.08 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.495 1.122 . . . . 64.140000000000001 110.286 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 15.6 m -121.48 175.3 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 62.340000000000003 110.025 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.452 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -143.96 166.05 21.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 110.067 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.482 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.94 -34.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 73.120000000000005 111.072 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.33 -27.72 68.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 42.240000000000002 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.93 -9.32 58.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.851 HD12 HG21 ' A' ' 503' ' ' THR . 9.2 mt -94.03 161.81 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 70.109999999999999 109.361 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 52.2 m -62.64 162.43 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.132 . . . . 51.210000000000001 110.02 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 66.6 m -67.41 -9.52 42.48 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.029 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.1 OUTLIER -83.73 -33.74 25.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.29 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.851 HG21 HD12 ' A' ' 499' ' ' LEU . 3.4 m -45.25 -31.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 54.299999999999997 110.357 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 109.222 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 502' ' ' ASP . 27.7 t -80.78 -15.37 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 55.149999999999999 109.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.2 mt -77.22 -36.68 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.140000000000001 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.6 pp -111.36 16.92 20.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 71.239999999999995 109.325 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.1 p -64.16 105.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 44.409999999999997 109.987 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 112.07 -19.56 22.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 73.409999999999997 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.67 -175.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 0.83 . . . . 71.140000000000001 109.244 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 40.7 t -115.47 94.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 75.25 109.291 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.497 ' NH1' HD21 ' A' ' 507' ' ' LEU . 14.1 tpp180 -53.93 121.88 8.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 74.329999999999998 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.599 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -109.66 128.18 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.25 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -118.9 167.62 11.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 75.540000000000006 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 18.5 tt0 -118.61 5.96 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.510000000000005 110.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -121.24 1.4 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 70.239999999999995 109.698 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.23 136.87 32.83 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 72.129999999999995 109.995 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -78.5 2.0 20.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 71.109999999999999 110.294 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.92 -27.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.239999999999995 109.301 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.92 -35.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 110.985 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.533 ' CB ' HD22 ' A' ' 419' ' ' LEU . . . -56.5 -47.2 79.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.045 . . . . 64.420000000000002 109.298 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.732 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.8 mpt_? -73.33 -20.32 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.09 . . . . 72.230000000000004 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.5 mmmt -74.07 -45.52 48.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 74.299999999999997 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.08 -40.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 63.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -72.66 -4.73 32.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.150000000000006 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -95.21 -40.23 9.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 75.230000000000004 109.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -94.0 -54.56 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 75.219999999999999 110.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 527' ' ' THR . 62.9 m-85 -85.36 54.57 3.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 65.420000000000002 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.777 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.6 mttt -67.87 154.36 93.72 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.401 1.063 . . . . 62.210000000000001 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.42 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 71.420000000000002 110.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.407 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.8 p-80 -70.21 -11.74 61.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 62.439999999999998 109.605 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 30.7 mmm180 -94.98 -43.32 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 110.292 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.423 0.154 . . . . 75.409999999999997 111.048 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 396' ' ' ASN . 0.1 OUTLIER -113.12 -31.38 6.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 109.353 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 416' ' ' LEU . 4.2 p90 -160.34 142.6 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 111.031 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.945 HG12 HG23 ' A' ' 452' ' ' ILE . 3.6 p -110.33 102.34 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.450000000000003 109.364 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.582 HG12 HG21 ' A' ' 453' ' ' ILE . 70.0 mt -70.29 96.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 73.010000000000005 109.269 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.464 HD12 ' CD2' ' A' ' 454' ' ' LEU . 9.0 mt -78.48 109.44 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 71.519999999999996 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.662 ' CB ' HD23 ' A' ' 455' ' ' LEU . 22.2 p80 -135.97 -173.05 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.598 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -81.62 -159.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 53.43 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -98.84 -19.53 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 72.140000000000001 110.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.01 16.6 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 54.439999999999998 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.507 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -120.76 29.94 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 70.540000000000006 109.252 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.53 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 17.9 tt0 -72.41 -76.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.409999999999997 110.277 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.2 p-80 -39.09 -36.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 74.349999999999994 109.544 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 407' ' ' HIS . 54.1 mt -58.11 -53.83 40.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 70.239999999999995 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.24 -39.72 93.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.51 1.131 . . . . 62.350000000000001 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.9 mt -59.17 -27.56 65.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.229999999999997 109.326 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 411' ' ' ARG . 8.6 ttp-105 -81.42 -14.61 56.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.519999999999996 110.278 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 3.5 t -90.47 -52.66 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 73.049999999999997 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 6.9 mtm180 -38.22 -54.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 73.209999999999994 110.358 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 415' ' ' LYS . 7.8 mt-10 -60.25 -59.25 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 71.239999999999995 110.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 44.310000000000002 109.273 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.959 ' HB3' HG13 ' A' ' 421' ' ' VAL . 79.1 mt -47.46 -61.29 1.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 75.329999999999998 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 42.4 mt-10 -38.42 -29.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 110.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.47 -54.38 33.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 65.129999999999995 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.928 HD13 HG11 ' A' ' 524' ' ' VAL . 1.0 OUTLIER -68.28 -45.68 72.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 109.376 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.15 -70.02 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 111.033 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.959 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.7 OUTLIER -39.63 142.61 0.62 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.531 0.783 . . . . 64.5 109.3 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.05 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 75.209999999999994 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.3 OUTLIER -68.85 -22.23 64.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 51.25 109.268 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.47 -94.92 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 110.998 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.4 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 72.219999999999999 109.244 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.0 p -153.0 143.71 22.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 74.310000000000002 110.414 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.684 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 2.4 m-30 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 74.510000000000005 110.998 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.537 ' HB3' ' HB2' ' A' ' 472' ' ' ALA . 1.6 pt20 . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 110.282 -0.266 . . . . 55.329999999999998 110.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.451 ' O ' ' NE2' ' A' ' 448' ' ' HIS . 1.4 t70 -75.24 -3.11 31.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 75.450000000000003 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -102.18 -45.17 5.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 42.130000000000003 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.733 HD12 HG23 ' A' ' 469' ' ' VAL . 1.7 tt -55.91 -18.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 72.340000000000003 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -82.7 -40.79 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.450000000000003 109.224 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 1.1 p-80 -123.67 49.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 74.239999999999995 109.556 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 4.3 t -157.89 122.82 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 73.439999999999998 110.001 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -40.16 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 63.420000000000002 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 2.1 m-85 -127.76 125.58 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 70.540000000000006 110.982 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.945 HG23 HG12 ' A' ' 398' ' ' VAL . 13.4 mm -71.95 129.58 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 74.409999999999997 109.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.827 HD11 ' CE2' ' A' ' 528' ' ' PHE . 20.1 mt -100.72 140.0 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.010000000000005 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.51 HD13 ' OG ' ' A' ' 465' ' ' SER . 11.6 mt -117.67 104.31 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 70.430000000000007 109.218 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.662 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.4 tp -69.72 91.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.274 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 488' ' ' PRO . 6.1 mt -73.49 94.54 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.109999999999999 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.593 HG22 ' CD ' ' A' ' 491' ' ' PRO . 15.7 p -133.63 152.73 51.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.422 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 29.8 t -61.43 -14.71 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 74.5 109.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 73.1 m-20 -90.16 -18.62 25.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 73.510000000000005 109.357 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 81.6 t80 -114.34 172.97 6.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 64.450000000000003 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.505 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 25.4 t0 -126.02 131.08 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 65.319999999999993 109.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 464' ' ' LEU . 5.1 t -93.95 -44.23 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 70.239999999999995 108.352 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' A' ' 502' ' ' ASP . 7.3 mmt180 -38.79 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 73.209999999999994 110.309 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -86.04 -69.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 109.319 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.51 ' OG ' HD13 ' A' ' 454' ' ' LEU . 3.9 p -40.78 -61.28 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 43.240000000000002 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.515 ' O ' HD13 ' A' ' 466' ' ' LEU . 3.2 tm? -49.31 -37.9 25.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.281 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.6 OUTLIER -72.27 -28.56 63.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.430000000000007 109.565 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 465' ' ' SER . 18.2 mt-30 -81.11 -69.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 72.109999999999999 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 446' ' ' ILE . 5.5 p -40.38 -50.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 72.420000000000002 109.266 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.488 ' N ' HG13 ' A' ' 469' ' ' VAL . 1.2 m-80 -42.65 -55.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.609 1.193 . . . . 74.319999999999993 109.321 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.89 -31.25 71.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 73.299999999999997 110.233 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 443' ' ' GLN . . . -62.81 -17.59 61.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 109.311 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.771 ' HE3' HG23 ' A' ' 486' ' ' VAL . 7.7 mtt -90.32 -52.15 5.07 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.473 1.108 . . . . 72.329999999999998 111.034 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -8.27 30.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 71.439999999999998 110.991 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -106.17 -21.83 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 479' ' ' ARG . 28.2 t-20 -112.29 56.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 109.218 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 4.1 mt -95.36 -18.09 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 54.200000000000003 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.3 t -82.73 3.07 30.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 53.530000000000001 110.398 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 447' ' ' ASP . 10.2 tpt180 -112.56 -72.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 50.399999999999999 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 481' ' ' GLY . 3.7 pt20 -119.3 -36.71 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 110.338 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.24 49.78 66.12 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.47 1.106 . . . . 33.25 110.97 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.7 m -117.29 103.17 51.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.578 0.81 . . . . 53.219999999999999 109.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.98 1.16 8.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.434 1.755 . . . . 71.439999999999998 111.056 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -109.2 42.47 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 71.329999999999998 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 446' ' ' ILE . 27.7 p -118.29 37.19 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 71.340000000000003 108.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.946 ' O ' HD13 ' A' ' 487' ' ' ILE . 43.6 t -125.39 134.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 73.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.946 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.6 mm -139.98 96.74 8.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 73.040000000000006 109.374 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.571 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.94 102.53 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 73.409999999999997 111.007 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 5.4 t80 -77.89 169.58 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.415 1.072 . . . . 74.109999999999999 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.5 HD11 ' CD ' ' A' ' 496' ' ' PRO . 2.5 tt -156.93 104.26 1.93 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 55.5 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.593 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.92 171.59 18.0 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.465 1.771 . . . . 71.230000000000004 110.98 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.658 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.5 mp -77.86 -22.59 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.263 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.15 -40.28 97.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 64.329999999999998 110.337 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 4.1 m -109.72 -178.63 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.019999999999996 110.023 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -145.8 165.42 21.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 73.510000000000005 109.996 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.5 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -74.91 -31.39 6.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.373 1.723 . . . . 73.120000000000005 111.018 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.83 67.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.7 mt-30 -72.98 -9.16 58.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 52.399999999999999 110.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 503' ' ' THR . 3.2 mt -97.87 164.14 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 109.249 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 66.7 m -66.45 158.65 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 64.219999999999999 110.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.8 m -67.15 -9.57 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 72.019999999999996 109.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.555 ' CG ' HH21 ' A' ' 463' ' ' ARG . 5.0 m-20 -80.96 -37.35 29.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 63.140000000000001 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.967 HG22 HD21 ' A' ' 507' ' ' LEU . 20.0 m -41.21 -52.61 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 73.049999999999997 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.3 13.98 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 71.510000000000005 109.361 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.3 t -78.04 -27.28 48.71 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 54.43 109.989 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 503' ' ' THR . 60.4 mt -67.27 -29.7 69.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.304 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.967 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.03 27.12 7.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 55.210000000000001 109.291 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 61.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 74.319999999999993 109.997 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 162.8 -30.17 0.27 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 63.420000000000002 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 486' ' ' VAL . 15.2 mt -73.07 -173.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 74.019999999999996 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.672 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.0 t -118.19 99.06 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 73.25 109.311 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 512' ' ' ARG . 8.9 ttp-105 -67.58 121.04 15.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 72.319999999999993 110.35 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.2 mp -85.73 130.86 34.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.340000000000003 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -129.38 138.92 51.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 73.400000000000006 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.6 tp10 -84.95 -21.46 29.57 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.115 . . . . 74.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.467 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.3 OUTLIER -97.38 12.66 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 70.319999999999993 109.643 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -97.52 139.14 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 62.219999999999999 110.001 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -5.45 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 61.409999999999997 110.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.771 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.75 -26.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 42.240000000000002 109.339 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.3 OUTLIER -39.7 -36.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 61.43 110.995 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.29 -47.38 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 64.209999999999994 109.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.7 mpt_? -74.13 -19.07 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 72.340000000000003 110.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.771 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.1 mmmt -76.39 -41.46 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 73.530000000000001 109.246 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.928 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -77.17 -39.35 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 71.409999999999997 109.421 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -74.92 -3.3 31.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 62.32 109.294 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.14 -37.7 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 70.200000000000003 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.1 t -93.92 -53.8 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 110.412 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.827 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.2 m-85 -87.62 51.19 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.219999999999999 111.055 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 26.7 mttt -63.36 154.87 77.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 54.229999999999997 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.58 5.3 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.448 1.762 . . . . 62.210000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.9 p-80 -73.7 -6.94 49.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 72.25 109.591 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 49.5 mmm-85 -100.14 -41.92 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.195 . . . . 72.420000000000002 110.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 533' ' ' LEU . 2.2 mt . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 63.329999999999998 109.266 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.521 0.2 . . . . 74.099999999999994 110.933 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.613 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 0.0 OUTLIER -112.28 -27.63 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.219999999999999 109.345 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 1.01 ' CD2' HD12 ' A' ' 453' ' ' ILE . 34.2 p90 -173.26 137.79 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 72.5 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.998 HG12 HG23 ' A' ' 452' ' ' ILE . 0.5 OUTLIER -103.95 119.21 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.120000000000005 109.33 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.517 ' C ' HD23 ' A' ' 400' ' ' LEU . 30.1 mt -79.69 137.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 70.329999999999998 109.304 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 399' ' ' ILE . 10.9 mt -111.59 99.75 8.43 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.459 1.1 . . . . 54.32 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.693 ' HB3' HD23 ' A' ' 455' ' ' LEU . 15.4 p80 -141.42 168.7 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.588 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.461 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -72.37 -159.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 64.040000000000006 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -98.96 -11.38 21.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.176 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.7 16.75 24.1 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.589 1.181 . . . . 25.010000000000002 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.41 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.06 25.39 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 70.150000000000006 109.376 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.502 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.2 tt0 -64.81 -76.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.465 1.103 . . . . 62.340000000000003 110.319 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.432 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.3 p-80 -38.06 -32.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.519999999999996 109.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 406' ' ' GLU . 35.5 mt -63.03 -57.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 75.310000000000002 109.248 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -62.77 -50.25 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 61.100000000000001 109.257 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.5 mt -49.13 -29.8 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 65.5 109.405 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -77.03 -31.58 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 73.030000000000001 110.285 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.9 t -73.78 -53.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 109.366 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.2 mtm180 -38.17 -52.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 63.229999999999997 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 417' ' ' GLU . 27.7 mt-10 -66.05 -51.78 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.200000000000003 110.308 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.564 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -47.83 -31.83 5.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.285 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.901 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.7 mt -73.25 -37.54 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 61.240000000000002 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.4 mt-10 -65.93 -8.7 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 75.420000000000002 110.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -95.78 -2.55 47.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 65.310000000000002 109.279 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 524' ' ' VAL . 2.7 mt -118.24 -44.37 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.58 -74.97 0.08 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.589 1.181 . . . . 54.539999999999999 110.99 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.901 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -46.72 140.4 5.96 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.586 0.815 . . . . 72.200000000000003 109.33 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.6 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.0 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 54.299999999999997 111.02 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.75 -45.46 74.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 72.239999999999995 109.257 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.54 -96.47 1.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 53.109999999999999 111.052 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 179.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 64.140000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 6.4 p -151.57 109.97 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 61.119999999999997 110.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.562 ' HB3' HG22 ' A' ' 398' ' ' VAL . 2.0 t80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 72.230000000000004 111.083 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.367 -0.234 . . . . 65.530000000000001 110.367 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.89 -5.13 39.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.574 1.171 . . . . 75.530000000000001 109.273 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.827 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -102.92 -31.46 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 23.34 109.301 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.623 ' N ' HD11 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -71.97 -19.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 109.23 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 448' ' ' HIS . 4.6 p-10 -103.44 -48.62 3.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' A' ' 447' ' ' ASP . 5.9 t-160 -75.74 -55.67 5.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 72.219999999999999 109.551 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -72.26 150.29 43.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 109.997 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -59.23 -75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 71.510000000000005 109.344 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.54 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 19.4 m-85 -127.18 132.41 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.443 1.09 . . . . 74.439999999999998 110.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.998 HG23 HG12 ' A' ' 398' ' ' VAL . 21.4 mm -74.6 131.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 74.150000000000006 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 1.01 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.7 mt -103.97 120.14 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.200000000000003 109.223 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 454' ' ' LEU . 1.5 mt -96.03 92.94 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 401' ' ' HIS . 11.2 tp -63.45 79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.277 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.48 HD22 ' SG ' ' A' ' 462' ' ' CYS . 12.5 mt -64.56 95.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 73.219999999999999 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.463 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 76.5 p -131.67 148.94 52.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 110.368 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.0 p -56.14 -19.04 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.0 -25.06 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.395 1.06 . . . . 64.409999999999997 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 465' ' ' SER . 40.6 t80 -103.01 166.47 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 110.973 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 5.9 t0 -111.79 135.02 52.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 70.230000000000004 109.266 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.807 ' O ' HD12 ' A' ' 466' ' ' LEU . 3.2 m -93.9 -51.44 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 41.450000000000003 108.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' CYS . 34.5 mtp180 -37.4 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 72.019999999999996 110.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 462' ' ' CYS . 2.3 tm? -92.94 -52.17 4.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 109.274 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 460' ' ' PHE . 1.2 t -40.34 -51.75 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 110.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 462' ' ' CYS . 3.5 mp -71.33 -55.16 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 109.16 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -45.04 -26.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 72.420000000000002 109.591 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.438 ' CD ' ' CD1' ' A' ' 464' ' ' LEU . 73.8 mt-30 -79.92 -74.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 53.340000000000003 110.266 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 465' ' ' SER . 3.9 m -40.18 -51.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 62.109999999999999 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.481 ' N ' HG23 ' A' ' 469' ' ' VAL . 1.9 m-80 -40.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 43.399999999999999 109.32 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.552 ' HA ' ' HE3' ' A' ' 474' ' ' MET . 27.6 mm-40 -47.74 -47.48 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 74.430000000000007 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -49.96 -47.1 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 55.229999999999997 109.267 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.532 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 18.2 mtt -58.15 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 73.450000000000003 110.962 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.804 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.7 -16.72 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 71.530000000000001 110.979 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 23.5 m -82.71 -27.98 30.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 42.43 110.013 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.595 ' ND2' HE22 ' A' ' 480' ' ' GLN . 13.2 t-20 -142.3 91.72 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.804 HD11 ' HA ' ' A' ' 474' ' ' MET . 5.9 mt -114.2 -16.79 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 63.200000000000003 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 479' ' ' ARG . 0.7 OUTLIER -74.69 -3.2 29.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 61.509999999999998 110.367 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.52 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 8.5 mmp_? -107.23 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.129999999999995 110.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.595 HE22 ' ND2' ' A' ' 476' ' ' ASN . 7.7 pm0 -116.34 -35.86 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 72.25 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 41.07 51.43 4.23 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.503 1.127 . . . . 73.409999999999997 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.39 99.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.796 . . . . 53.539999999999999 110.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.501 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -75.05 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.569 1.826 . . . . 51.409999999999997 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.21 22.55 14.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 54.420000000000002 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.5 m -95.21 32.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.119999999999997 108.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 454' ' ' LEU . 3.1 t -119.64 113.17 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 71.319999999999993 109.211 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.722 HG22 HD22 ' A' ' 513' ' ' LEU . 2.1 mm -119.88 93.2 47.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 64.129999999999995 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 17.9 Cg_endo -75.02 106.63 2.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.47 1.774 . . . . 73.230000000000004 110.965 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.553 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.1 t80 -83.64 165.09 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 73.109999999999999 110.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -145.32 97.52 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 61.420000000000002 109.276 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.46 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -75.06 159.93 40.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 65.209999999999994 110.985 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 516' ' ' HIS . 1.6 mt -69.86 -10.08 57.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 74.040000000000006 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -80.64 -26.29 37.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 110.282 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.414 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.8 m -124.43 178.8 5.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.444 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.22 165.31 19.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 43.140000000000001 109.992 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.4 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 75.340000000000003 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.18 -24.13 67.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 109.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 1.1 mt-30 -74.9 -9.64 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 110.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 499' ' ' LEU . 3.5 mt -98.47 163.3 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.369 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.1 m -64.77 152.11 43.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 54.299999999999997 109.998 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.8 t -62.63 -13.33 30.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 64.150000000000006 110.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 505' ' ' SER . 40.2 m-20 -84.86 -35.43 22.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.623 1.202 . . . . 44.240000000000002 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.808 ' O ' HD13 ' A' ' 507' ' ' LEU . 28.5 m -42.84 -48.66 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 110.372 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . 0.434 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -51.63 -39.08 57.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 63.43 109.356 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 502' ' ' ASP . 15.5 t -80.89 -22.87 39.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 75.140000000000001 109.943 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.0 mt -69.2 -40.73 77.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 62.399999999999999 109.278 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.11 25.8 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.057 . . . . 73.209999999999994 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.3 OUTLIER -56.92 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.566 1.166 . . . . 64.420000000000002 110.059 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 116.58 -45.8 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 52.350000000000001 110.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 507' ' ' LEU . 44.2 mt -40.65 131.99 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 60.350000000000001 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 511' ' ' VAL . 3.4 t -61.46 90.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 75.25 109.341 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 8.7 ttp-105 -66.32 126.29 28.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.010000000000005 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.722 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -92.87 140.56 29.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 45.210000000000001 109.291 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.563 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.6 m-20 -142.85 148.46 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 74.409999999999997 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -84.58 -30.55 24.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 61.210000000000001 110.322 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.512 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -85.94 5.47 32.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.387 1.054 . . . . 65.129999999999995 109.544 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 514' ' ' ASP . 7.1 t -94.67 118.96 32.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.635 1.21 . . . . 64.400000000000006 109.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -74.92 -1.95 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 73.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.795 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -110.07 -27.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.510000000000005 109.386 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.4 t80 -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.113 . . . . 75.349999999999994 110.98 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.8 81.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 74.519999999999996 109.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.6 mpt_? -73.36 -23.78 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.25 110.326 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.795 ' CD ' HD11 ' A' ' 519' ' ' ILE . 22.2 mmmt -70.94 -45.21 64.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 109.335 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.87 -43.01 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 62.119999999999997 109.252 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -68.95 -9.03 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -87.25 -53.15 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.200000000000003 109.238 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.0 t -77.21 -53.25 7.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.540000000000006 110.406 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.3 m-85 -88.18 54.87 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 110.894 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.0 mttm -63.37 158.81 54.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 54.310000000000002 109.335 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -36.36 2.6 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.549 1.815 . . . . 73.530000000000001 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -78.59 -1.64 35.09 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.552 1.158 . . . . 51.229999999999997 109.62 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.425 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 11.2 mmm180 -97.54 -43.29 7.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 75.400000000000006 110.209 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.9 mm? . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 71.519999999999996 109.345 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.528 0.204 . . . . 45.240000000000002 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.67 ' CG ' HD11 ' A' ' 533' ' ' LEU . 4.8 t-20 -113.61 -11.28 13.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.451 1.094 . . . . 65.540000000000006 109.286 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.857 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.6 p90 -174.85 147.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.988 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 427' ' ' PHE . 2.4 t -112.89 108.88 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 47.3 mt -73.42 91.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 72.409999999999997 109.316 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 400' ' ' LEU . 0.3 OUTLIER -76.01 99.49 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.203 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.478 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 20.0 p80 -132.19 -167.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 75.5 109.575 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -85.05 -166.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 73.040000000000006 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.5 -9.69 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 110.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.52 16.87 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.340000000000003 109.244 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.422 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -127.26 29.24 5.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 55.329999999999998 109.249 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 407' ' ' HIS . 27.9 tt0 -62.68 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 63.549999999999997 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 408' ' ' ILE . 25.6 p-80 -36.02 -45.05 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 73.409999999999997 109.573 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.532 HG13 ' CE1' ' A' ' 407' ' ' HIS . 65.4 mt -53.23 -59.0 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 61.509999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -55.78 -49.73 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 70.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.94 -14.52 35.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 74.340000000000003 109.219 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.432 HH21 HD13 ' A' ' 492' ' ' LEU . 25.1 ttp85 -81.38 -18.83 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 110.333 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 489' ' ' PHE . 6.6 t -95.03 -53.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.342 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.65 -38.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 75.25 110.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 415' ' ' LYS . 83.9 mt-10 -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 40.310000000000002 110.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -39.38 -54.11 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 51.439999999999998 109.259 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.2 mt -39.84 -54.51 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.109999999999999 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 416' ' ' LEU . 10.9 mt-10 -36.81 -45.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.450000000000003 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.82 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 62.140000000000001 109.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.955 HD13 HG11 ' A' ' 524' ' ' VAL . 2.5 mt -65.96 -45.97 79.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.386 1.054 . . . . 73.540000000000006 109.239 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 163.85 -68.63 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 110.97 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.17 137.34 0.96 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 0.718 . . . . 75.310000000000002 109.35 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 63.039999999999999 110.989 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.442 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.9 p30 -59.48 -43.93 93.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 72.439999999999998 109.345 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 80.38 -97.96 1.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 72.329999999999998 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.91 -176.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 63.149999999999999 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 6.9 p -151.19 149.15 29.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 61.210000000000001 110.37 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.46 ' HB2' ' CG1' ' A' ' 398' ' ' VAL . 5.3 t80 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.25 110.953 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.732 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 43.8 mt-30 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.303 -0.258 . . . . 63.350000000000001 110.303 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.545 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.2 p-10 -52.47 -34.43 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.641 1.213 . . . . 75.140000000000001 109.336 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.807 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -82.05 -29.57 31.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 74.329999999999998 109.23 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 469' ' ' VAL . 34.8 mt -77.26 -20.32 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 443' ' ' GLN . 19.8 t0 -103.75 -64.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 4.0 m170 -56.11 -61.55 2.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 44.5 109.606 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 162.2 29.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 43.229999999999997 109.955 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.538 ' HB3' ' ND2' ' A' ' 396' ' ' ASN . . . -76.46 -73.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.318 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 7.1 m-85 -122.25 135.8 54.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.807 HD11 ' C ' ' A' ' 445' ' ' ALA . 9.4 mm -77.53 136.01 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 74.5 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.857 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.2 mt -111.48 122.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 73.420000000000002 109.261 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.787 HD13 ' OG ' ' A' ' 465' ' ' SER . 3.3 mt -104.72 110.81 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.366 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 455' ' ' LEU . 7.0 tp -74.48 81.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 70.120000000000005 109.27 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 488' ' ' PRO . 6.1 mt -68.84 88.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 71.420000000000002 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.582 HG22 ' CD ' ' A' ' 491' ' ' PRO . 24.7 p -125.73 158.78 34.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 75.299999999999997 110.419 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.6 p -62.14 -13.5 27.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 109.937 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.636 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.4 m120 -97.5 13.36 30.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.337 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 400' ' ' LEU . 40.5 t80 -150.21 164.98 34.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 51.119999999999997 111.033 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 14.2 t0 -114.64 128.71 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 55.240000000000002 109.28 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 503' ' ' THR . 19.3 p -82.83 -41.73 18.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 108.201 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -39.22 -29.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 63.310000000000002 110.196 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 468' ' ' GLN . 1.8 tm? -87.23 -57.49 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 63.450000000000003 109.25 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.787 ' OG ' HD13 ' A' ' 454' ' ' LEU . 5.0 p -38.52 -35.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 71.219999999999999 110.042 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' A' ' 469' ' ' VAL . 2.6 tt -76.81 -59.69 2.67 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 64.519999999999996 109.341 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.422 ' O ' ' ND1' ' A' ' 467' ' ' HIS . 1.4 t60 -45.65 -28.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.619 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.7 ' HG3' HD13 ' A' ' 464' ' ' LEU . 4.1 mm100 -76.57 -75.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 110.395 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 486' ' ' VAL . 9.6 p -40.14 -30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.129999999999995 109.266 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.2 m-80 -74.59 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.310000000000002 109.256 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -44.6 -26.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 110.251 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.732 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -87.52 -40.74 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.566 ' SD ' HG22 ' A' ' 469' ' ' VAL . 12.7 mtt -61.97 -60.72 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 72.019999999999996 110.945 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.739 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -61.39 -12.99 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 74.140000000000001 110.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.405 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 14.0 t -85.76 -26.37 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.583 1.177 . . . . 73.400000000000006 109.973 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.439 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 45.0 t30 -142.41 88.69 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 72.439999999999998 109.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.739 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -110.58 -21.59 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 64.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 4.4 t -73.99 -2.0 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 60.329999999999998 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.439 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 15.2 mmt-85 -104.65 -66.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 71.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.427 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -111.69 -33.93 6.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.32 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.67 37.08 0.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 62.32 111.033 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.9 m -111.92 96.97 36.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 74.349999999999994 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.549 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 74.510000000000005 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.66 20.4 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 52.130000000000003 109.223 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.66 21.17 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 64.239999999999995 108.245 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 469' ' ' VAL . 5.7 t -103.54 123.65 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 65.420000000000002 109.362 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.619 ' CG2' HD22 ' A' ' 513' ' ' LEU . 6.1 mm -125.47 94.52 42.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.215 . . . . 55.140000000000001 109.265 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 93.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 71.099999999999994 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 412' ' ' VAL . 8.1 t80 -77.93 151.63 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 71.200000000000003 111.017 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.588 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.6 tm? -138.72 107.15 7.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 72.329999999999998 109.364 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.588 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -75.01 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 74.150000000000006 110.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.7 mp -76.71 -23.0 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.200000000000003 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.48 -35.68 80.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.209999999999994 110.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.487 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 6.3 m -121.59 174.79 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 75.310000000000002 110.033 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.575 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -140.32 164.83 34.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 73.299999999999997 109.994 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.41 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.3 Cg_endo -74.99 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.573 1.828 . . . . 75.409999999999997 111.007 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.15 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 109.277 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -13.52 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 73.430000000000007 110.342 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.741 ' CD1' HG21 ' A' ' 503' ' ' THR . 7.9 mt -89.32 166.79 13.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 51.439999999999998 109.251 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.8 t -64.63 162.42 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 70.549999999999997 110.068 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 45.9 m -69.5 -8.53 47.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 44.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 12.6 m-20 -84.57 -36.93 21.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.230000000000004 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 506' ' ' LEU . 98.3 m -41.62 -43.86 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 110.449 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.67 75.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 63.210000000000001 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.6 m -75.7 -17.85 59.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 75.209999999999994 110.073 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 503' ' ' THR . 65.4 mt -77.76 -37.24 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 109.292 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.7 pp -109.85 15.99 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.229 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.6 p -64.47 104.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.41 1.069 . . . . 65.519999999999996 110.059 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 114.3 -30.34 7.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 70.409999999999997 111.041 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.689 HD13 ' HB ' ' A' ' 486' ' ' VAL . 3.5 mt -63.06 -173.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 73.420000000000002 109.331 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.622 HG13 ' HE2' ' A' ' 523' ' ' LYS . 30.3 t -114.91 86.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 73.530000000000001 109.281 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 3.3 tmm_? -52.04 110.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 110.234 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 489' ' ' PHE . 7.9 tp -89.71 132.27 35.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.549999999999997 109.226 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.2 m-20 -120.79 167.68 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 73.109999999999999 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 489' ' ' PHE . 11.3 tp10 -121.0 6.74 10.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 73.120000000000005 110.264 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.43 10.29 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.56 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 33.3 t -88.55 162.32 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 73.299999999999997 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -100.41 -7.6 24.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 72.319999999999993 110.212 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.775 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 71.329999999999998 109.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.553 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.4 t80 -39.59 -35.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 75.219999999999999 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.446 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.56 -47.51 76.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.386 1.054 . . . . 53.32 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.734 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.6 mpt_? -73.45 -19.57 60.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.382 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -75.57 -43.04 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.073 . . . . 62.450000000000003 109.361 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.955 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -75.72 -38.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 72.230000000000004 109.351 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.87 -3.21 30.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.310000000000002 109.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -99.56 -42.63 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.230000000000004 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.606 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 3.6 t -87.35 -51.41 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.120000000000005 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 453' ' ' ILE . 57.7 m-85 -92.84 64.5 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 75.239999999999995 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.639 ' O ' HD23 ' A' ' 533' ' ' LEU . 27.9 mttt -71.22 157.05 90.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 73.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -42.33 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 111.02 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.6 ' CE1' ' NE ' ' A' ' 532' ' ' ARG . 6.3 p80 -61.9 -13.02 20.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.605 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.6 ' NE ' ' CE1' ' A' ' 531' ' ' HIS . 12.7 mmt180 -102.03 -25.47 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.266 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.67 HD11 ' CG ' ' A' ' 396' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 61.140000000000001 109.278 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.562 0.22 . . . . 74.420000000000002 110.985 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.679 ' OD1' HD12 ' A' ' 533' ' ' LEU . 39.7 m-80 -113.46 -9.02 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 73.099999999999994 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.94 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.8 p90 -178.65 128.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.983 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.849 HG12 HG23 ' A' ' 452' ' ' ILE . 0.4 OUTLIER -88.59 114.67 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 71.530000000000001 109.386 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 39.9 mt -84.99 90.22 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.977 HD12 ' CZ ' ' A' ' 460' ' ' PHE . 0.1 OUTLIER -63.31 97.6 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.556 1.16 . . . . 64.340000000000003 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.641 ' CB ' HD23 ' A' ' 455' ' ' LEU . 2.4 p80 -130.23 -178.75 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 63.32 109.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.555 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -104.01 156.62 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 71.299999999999997 109.202 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . 0.767 ' NE ' ' HB2' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -61.03 -11.81 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.767 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . . . -107.03 18.24 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.2 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.642 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.8 OUTLIER -134.21 25.23 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 71.340000000000003 109.355 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.528 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 21.5 tt0 -62.34 -74.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 74.540000000000006 110.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 406' ' ' GLU . 35.8 p-80 -36.44 -33.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 73.129999999999995 109.595 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 405' ' ' ASP . 30.2 mt -65.29 -60.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 109.337 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -57.64 -52.18 66.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 64.340000000000003 109.307 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 410' ' ' LEU . 1.8 mt -47.79 -24.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 409' ' ' ALA . 19.9 ttp180 -79.17 -36.7 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 71.540000000000006 110.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -70.73 -53.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 71.120000000000005 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.4 mtm180 -37.25 -49.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 74.120000000000005 110.294 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 417' ' ' GLU . 44.3 mt-10 -69.2 -51.73 35.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -25.93 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 71.019999999999996 109.37 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.848 ' HB3' HG13 ' A' ' 421' ' ' VAL . 69.3 mt -76.78 -35.75 57.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 422' ' ' PRO . 5.9 mt-10 -74.02 -8.46 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.030000000000001 110.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.57 -8.41 52.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 51.539999999999999 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.595 HD13 HG11 ' A' ' 524' ' ' VAL . 1.2 mt -117.01 -44.84 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 71.109999999999999 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 35.219999999999999 110.941 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.848 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -43.9 138.94 3.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 63.219999999999999 109.306 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.7 Cg_endo -74.86 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 75.230000000000004 111.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.447 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -60.59 -43.71 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 74.540000000000006 109.343 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.5 -93.46 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.23 178.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 74.400000000000006 109.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.488 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 1.4 p -152.59 140.37 19.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 73.349999999999994 110.345 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.636 ' CB ' HD22 ' A' ' 400' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 111.023 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.617 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 29.5 mt-30 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.405 -0.22 . . . . 62.329999999999998 110.405 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -69.71 -41.07 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 54.539999999999999 109.331 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -71.47 -26.49 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 44.100000000000001 109.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.422 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.2 mt -57.9 -26.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 109.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 -57.17 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 74.030000000000001 109.24 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -59.55 -57.24 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 64.430000000000007 109.644 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.457 ' HB3' ' HB1' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -73.43 156.64 38.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.400000000000006 109.944 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -71.03 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 65.530000000000001 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.567 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 6.1 m-85 -118.51 128.1 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 72.209999999999994 111.062 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.849 HG23 HG12 ' A' ' 398' ' ' VAL . 42.6 mm -69.26 127.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.120000000000005 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.94 HD12 ' CD2' ' A' ' 397' ' ' PHE . 8.3 mt -104.07 112.8 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 65.120000000000005 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 486' ' ' VAL . 1.8 mm? -92.46 97.86 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 75.040000000000006 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.641 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.7 tp -65.72 80.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 52.119999999999997 109.286 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 488' ' ' PRO . 13.6 mt -68.47 98.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 65.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.1 p -132.83 159.64 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 71.540000000000006 110.393 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 2.7 p -59.53 -15.31 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 52.119999999999997 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -100.9 19.87 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 71.239999999999995 109.249 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.977 ' CZ ' HD12 ' A' ' 400' ' ' LEU . 33.0 t80 -154.23 165.78 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 74.150000000000006 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.43 142.19 40.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 75.340000000000003 109.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.8 m -93.96 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 73.400000000000006 108.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 462' ' ' CYS . 40.1 mtp180 -38.16 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 73.349999999999994 110.291 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 465' ' ' SER . 1.4 tm? -82.96 -62.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 71.150000000000006 109.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.939 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.5 p -38.53 -42.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 109.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 470' ' ' ASN . 7.0 tt -69.92 -57.78 4.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 73.319999999999993 109.31 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 471' ' ' GLN . 2.1 t60 -42.9 -59.03 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 70.319999999999993 109.636 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.512 ' HG3' HD22 ' A' ' 464' ' ' LEU . 8.5 mt-30 -46.13 -33.9 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 73.239999999999995 110.362 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 465' ' ' SER . 39.1 t -78.06 -67.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 63.530000000000001 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 466' ' ' LEU . 2.0 m-80 -43.13 -67.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 75.040000000000006 109.316 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 467' ' ' HIS . 0.0 OUTLIER -38.25 -30.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.329 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.617 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -79.44 -53.23 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 61.32 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.665 ' HE3' ' CG1' ' A' ' 469' ' ' VAL . 9.2 mtt -47.67 -58.96 3.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 74.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -58.28 -15.34 9.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 110.989 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.2 t -90.9 -21.05 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 71.040000000000006 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 47.4 t30 -141.72 86.92 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.2 mt -110.43 -20.85 12.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.32 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.5 t -76.19 0.19 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 70.329999999999998 110.418 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 12.0 mmt85 -103.44 -73.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 70.219999999999999 110.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.492 ' NE2' ' ND2' ' A' ' 476' ' ' ASN . 0.7 OUTLIER -117.28 -36.45 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 44.99 41.06 7.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 51.229999999999997 110.967 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.3 m -111.34 98.13 38.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 42.450000000000003 109.983 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.532 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.5 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 72.450000000000003 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -94.3 16.77 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 50.32 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.2 m -92.48 17.76 9.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 74.120000000000005 108.274 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 1.023 ' O ' HD13 ' A' ' 487' ' ' ILE . 85.7 t -104.63 130.21 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 1.023 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.1 mm -133.42 91.62 26.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 64.319999999999993 109.315 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.49 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.8 Cg_endo -74.98 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.477 1.778 . . . . 72.310000000000002 111.057 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 412' ' ' VAL . 5.6 t80 -90.75 168.83 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 73.519999999999996 110.959 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -152.89 98.73 2.79 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.422 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.06 166.41 29.19 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.543 1.812 . . . . 51.229999999999997 111.045 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 492' ' ' LEU . 4.0 mp -69.72 -34.95 74.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 51.140000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 408' ' ' ILE . 30.4 mm-40 -54.38 -35.35 62.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 70.329999999999998 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 8.7 m -119.06 179.29 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 53.009999999999998 109.956 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.455 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.88 165.85 18.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.405 1.066 . . . . 71.329999999999998 110.04 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.681 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.95 -35.27 3.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 61.210000000000001 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.7 71.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 55.399999999999999 109.343 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.34 -14.72 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 70.140000000000001 110.32 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 462' ' ' CYS . 1.3 mt -101.39 170.62 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.129999999999995 109.372 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.0 m -64.38 154.39 35.67 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.41 1.069 . . . . 64.129999999999995 109.973 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 17.5 m -67.74 -9.25 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.5 m-20 -81.41 -35.39 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.540000000000006 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.812 ' O ' HD13 ' A' ' 507' ' ' LEU . 26.8 m -43.0 -50.03 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 71.25 110.414 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -51.15 -38.01 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 54.420000000000002 109.277 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.0 t -81.61 -23.7 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.25 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 503' ' ' THR . 90.0 mt -67.49 -39.35 85.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.265 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.53 25.25 9.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.349999999999994 109.323 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.96 -31.68 71.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 55.119999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -90.6 -21.53 36.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 32.100000000000001 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' ' 507' ' ' LEU . 9.2 mt -80.84 -171.75 3.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 64.239999999999995 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 513' ' ' LEU . 55.3 t -116.73 103.95 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 109.22 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -71.56 100.51 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 73.409999999999997 110.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.799 HD22 ' CG2' ' A' ' 487' ' ' ILE . 2.3 mp -71.91 137.14 47.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 62.210000000000001 109.36 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.4 m-20 -122.73 167.7 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 75.140000000000001 109.36 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.9 tt0 -123.43 5.91 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 54.310000000000002 110.324 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.434 ' NE2' ' OD2' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -122.96 -0.22 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 72.150000000000006 109.528 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.74 163.24 14.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 70.209999999999994 110.039 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.92 -0.55 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 63.009999999999998 110.23 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.67 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 64.5 109.364 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.9 t80 -40.07 -35.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.400000000000006 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -55.17 -47.39 75.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.548 1.155 . . . . 62.439999999999998 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.722 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.2 mpt_? -73.74 -21.18 60.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 75.310000000000002 110.339 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.2 mmmt -74.18 -40.87 62.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 50.32 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 513' ' ' LEU . 1.2 p -79.24 -45.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 74.430000000000007 109.287 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.28 -10.95 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.129999999999995 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.1 m-20 -86.34 -53.64 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.526 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.2 t -77.37 -55.2 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 73.420000000000002 110.507 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.88 56.21 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 75.409999999999997 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.985 ' O ' HD23 ' A' ' 533' ' ' LEU . 76.9 mttt -64.75 160.82 50.81 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -20.28 17.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.739 . . . . 35.530000000000001 111.084 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.42 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 7.2 p-80 -90.43 -11.79 39.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.499 1.125 . . . . 64.319999999999993 109.561 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.42 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 26.6 mmm180 -101.91 -7.28 22.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.430000000000007 110.275 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.5 mm? . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 72.219999999999999 109.336 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 11.8 m-30 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.545 0.212 . . . . 73.430000000000007 110.932 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.883 ' OD1' HD13 ' A' ' 533' ' ' LEU . 20.2 m-80 -115.9 -1.93 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.364 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 1.09 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.5 p90 -178.03 160.99 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 74.0 111.033 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 445' ' ' ALA . 2.3 t -122.81 105.36 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 60.409999999999997 109.365 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 453' ' ' ILE . 46.0 mt -71.84 91.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.8 HD22 ' HB3' ' A' ' 427' ' ' PHE . 0.0 OUTLIER -69.86 103.38 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.675 ' CB ' HD23 ' A' ' 455' ' ' LEU . 25.1 p80 -137.87 -168.97 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.555 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.833 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.75 141.79 29.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 51.43 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -54.77 -15.8 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 54.340000000000003 110.249 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.409 ' C ' ' OD2' ' A' ' 405' ' ' ASP . . . -94.55 17.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 53.340000000000003 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.833 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -139.31 36.34 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 64.150000000000006 109.32 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.551 ' HG3' HD13 ' A' ' 410' ' ' LEU . 18.8 tt0 -64.94 -71.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 73.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.497 ' CE1' HG13 ' A' ' 408' ' ' ILE . 24.9 p-80 -36.81 -39.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.349999999999994 109.623 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.497 HG13 ' CE1' ' A' ' 407' ' ' HIS . 67.3 mt -58.23 -60.74 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 53.200000000000003 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -54.25 -49.34 69.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 73.140000000000001 109.309 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 406' ' ' GLU . 10.1 mp -60.76 -15.11 26.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.279 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 408' ' ' ILE . 11.0 ttp180 -80.62 -21.71 41.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 73.519999999999996 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 413' ' ' ARG . 3.6 t -96.72 -51.65 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 74.109999999999999 109.309 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 412' ' ' VAL . 9.7 mtm180 -31.01 -58.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 74.049999999999997 110.297 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 15.6 mt-10 -66.32 -52.86 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 63.32 110.273 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.24 -34.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.049999999999997 109.372 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 1.007 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -69.61 -50.84 40.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 71.129999999999995 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 62.8 mt-10 -40.02 -28.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.357 1.036 . . . . 60.149999999999999 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 416' ' ' LEU . . . -74.87 -50.89 15.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.179 . . . . 65.209999999999994 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -61.12 -46.27 91.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.11 -65.91 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.968 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 1.007 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.6 p -55.11 144.14 50.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 72.530000000000001 109.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.779 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.02 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 71.239999999999995 111.042 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.483 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.4 OUTLIER -56.89 -42.37 79.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 63.310000000000002 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.711 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.47 -91.02 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.404 1.065 . . . . 61.520000000000003 111.01 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.42 179.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 0.717 . . . . 32.5 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.7 p -152.42 160.56 43.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 110.437 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.8 ' HB3' HD22 ' A' ' 400' ' ' LEU . 5.8 t80 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 64.530000000000001 110.99 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 446' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.29 -0.263 . . . . 75.420000000000002 110.29 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.12 -8.84 49.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 72.030000000000001 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.605 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -81.48 -9.55 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 43.299999999999997 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 tt -92.54 -16.29 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 74.120000000000005 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.06 -33.76 8.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 51.439999999999998 109.208 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -78.73 1.0 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.606 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 26.4 m -148.74 160.39 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 41.420000000000002 109.958 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -65.29 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.605 1.191 . . . . 54.43 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 485' ' ' CYS . 16.5 m-30 -119.07 147.03 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 73.140000000000001 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CG1' HG13 ' A' ' 446' ' ' ILE . 2.1 mm -85.63 140.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.200000000000003 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 1.09 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.9 mt -110.74 128.31 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 65.040000000000006 109.264 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 453' ' ' ILE . 6.6 mt -101.22 99.28 9.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 73.019999999999996 109.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 489' ' ' PHE . 14.9 tp -76.27 89.97 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.353 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.4 mt -71.24 99.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 62.039999999999999 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 46.8 p -131.94 149.26 52.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.413 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 24.2 p -58.6 -16.22 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 53.210000000000001 109.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -90.47 -24.5 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 74.400000000000006 109.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.763 ' CE1' HD12 ' A' ' 400' ' ' LEU . 58.1 t80 -109.99 170.09 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 60.539999999999999 110.935 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.561 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.9 m-20 -116.58 142.07 47.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.400000000000006 109.326 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.27 -56.61 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 52.049999999999997 108.263 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 0.1 OUTLIER -39.51 -32.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.510000000000005 110.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.0 OUTLIER -70.5 -65.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.239999999999995 109.365 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.494 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -50.01 -59.75 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 54.140000000000001 110.002 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.5 OUTLIER -51.68 -23.11 4.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 75.209999999999994 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.442 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 27.5 t60 -90.46 -26.73 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.662 1.226 . . . . 62.420000000000002 109.578 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 464' ' ' LEU . 5.9 mt-30 -80.63 -61.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 110.392 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.615 HG22 ' HE3' ' A' ' 473' ' ' MET . 13.7 p -49.96 -54.07 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.266 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.776 ' ND2' HD22 ' A' ' 466' ' ' LEU . 1.8 m-80 -47.03 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 65.040000000000006 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.639 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 26.6 mm-40 -39.24 -46.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 53.350000000000001 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 52.25 109.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.615 ' HE3' HG22 ' A' ' 469' ' ' VAL . 6.2 mtt -59.91 -71.69 0.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.544 1.153 . . . . 73.140000000000001 110.979 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.639 ' HE2' ' HA ' ' A' ' 471' ' ' GLN . 1.2 ptm -50.25 -21.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 64.5 110.938 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 5.0 t -74.14 -48.13 31.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 480' ' ' GLN . 53.0 p-10 -122.11 70.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 70.230000000000004 109.362 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 474' ' ' MET . 14.2 mt -72.54 -33.43 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 74.219999999999999 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 12.7 t -69.54 -6.65 32.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 72.230000000000004 110.366 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -77.04 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.3 pp0? -115.54 -31.84 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 74.219999999999999 110.257 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.512 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 37.38 45.06 1.26 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.49 1.119 . . . . 62.520000000000003 111.009 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 74.0 m -115.73 87.67 18.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 72.329999999999998 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.55 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.89 0.44 8.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.478 1.778 . . . . 74.209999999999994 111.076 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.85 32.33 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 72.010000000000005 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 451' ' ' PHE . 13.3 p -113.27 8.85 18.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 62.219999999999999 108.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.405 HG22 ' HE3' ' A' ' 473' ' ' MET . 2.1 t -87.33 109.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.639 HG22 HD22 ' A' ' 513' ' ' LEU . 2.5 mm -114.67 97.37 46.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.354 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 18.4 Cg_endo -74.93 103.95 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.551 1.816 . . . . 74.439999999999998 110.979 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.781 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.2 t80 -84.61 166.51 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 111.003 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.5 tm? -149.69 102.06 3.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 74.25 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.0 Cg_endo -75.05 158.26 42.09 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.42 1.747 . . . . 74.239999999999995 110.938 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.808 HD11 ' CD ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -67.2 -21.43 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 75.5 109.254 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.89 -34.45 76.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 110.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 22.3 m -117.18 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 50.409999999999997 110.004 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.05 165.55 18.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 109.954 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -33.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.575 1.829 . . . . 52.340000000000003 110.987 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.95 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.324 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 2.7 mt-30 -66.45 -9.69 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 110.361 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' A' ' 503' ' ' THR . 6.9 mt -104.04 169.94 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 63.439999999999998 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 501' ' ' SER . 2.2 t -65.49 175.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.230000000000004 109.985 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 500' ' ' SER . 68.4 m -81.66 -13.38 57.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.040000000000006 109.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 505' ' ' SER . 1.4 p30 -79.19 -38.96 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 73.349999999999994 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.859 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.2 m -42.44 -28.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 74.209999999999994 110.497 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.125 . . . . 71.549999999999997 109.259 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.9 m -72.19 -22.74 61.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.540000000000006 110.012 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 503' ' ' THR . 47.1 mt -69.88 -32.43 70.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.430000000000007 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.56 14.99 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 62.5 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.3 t -74.24 106.48 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.409 1.068 . . . . 74.299999999999997 109.936 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.57 11.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.41 -172.33 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 0.716 . . . . 74.25 109.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.58 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.2 t -113.32 99.59 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.248 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 11.4 ttp-105 -72.88 128.7 36.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.341 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.639 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -97.1 138.61 34.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 65.439999999999998 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.434 ' OD2' ' NE2' ' A' ' 516' ' ' HIS . 0.9 OUTLIER -142.82 143.37 32.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 70.439999999999998 109.34 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.808 ' CD ' HD11 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -78.88 -35.22 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 53.520000000000003 110.292 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.7 ' ND1' HD23 ' A' ' 492' ' ' LEU . 0.3 OUTLIER -88.33 14.45 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 75.140000000000001 109.674 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -97.86 118.27 34.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 74.239999999999995 110.012 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -74.68 -1.87 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 74.200000000000003 110.401 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.98 -28.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 63.229999999999997 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.502 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 0.2 OUTLIER -39.72 -35.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 73.340000000000003 111.032 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.44 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.43 -47.27 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.425 1.078 . . . . 51.329999999999998 109.36 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.8 mpt_? -73.15 -20.1 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 73.040000000000006 110.197 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 21.4 mmmt -74.66 -47.03 34.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 419' ' ' LEU . 1.8 p -72.95 -32.56 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.248 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.54 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.342 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 14.2 m-20 -98.84 -28.74 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.349999999999994 109.311 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 2.7 t -101.53 -51.07 3.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 110.382 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.742 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.2 m-85 -96.65 62.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 73.099999999999994 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 32.8 mttt -70.21 155.64 93.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 74.120000000000005 110.962 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.455 ' ND1' ' CD ' ' A' ' 532' ' ' ARG . 9.6 p80 -72.43 -5.5 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 109.563 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.455 ' CD ' ' ND1' ' A' ' 531' ' ' HIS . 1.6 mpt_? -101.11 -49.71 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 110.302 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.883 HD13 ' OD1' ' A' ' 396' ' ' ASN . 1.9 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 64.200000000000003 109.288 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 6.9 m-30 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.49 0.186 . . . . 72.209999999999994 110.929 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 17.8 m120 -119.97 -3.2 10.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 63.229999999999997 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.833 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.1 p90 -177.95 149.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 75.310000000000002 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.911 ' CG1' HG23 ' A' ' 452' ' ' ILE . 1.6 p -113.78 109.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.150000000000006 109.306 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.552 HG13 ' CD1' ' A' ' 397' ' ' PHE . 61.3 mt -83.71 96.24 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 52.409999999999997 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 8.2 mt -75.39 133.44 41.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 73.040000000000006 109.282 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -162.71 -174.19 3.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.451 1.095 . . . . 74.209999999999994 109.571 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.458 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -84.63 -158.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 73.340000000000003 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -99.18 -19.04 17.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 110.318 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -103.56 17.1 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.281 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.52 26.34 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 64.340000000000003 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.641 ' HG3' HD13 ' A' ' 410' ' ' LEU . 14.3 tt0 -65.36 -74.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.540000000000006 110.223 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 408' ' ' ILE . 10.1 p-80 -39.26 -43.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 74.230000000000004 109.565 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.502 HG13 ' CE1' ' A' ' 407' ' ' HIS . 68.7 mt -52.43 -49.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 55.219999999999999 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.67 -49.28 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 45.299999999999997 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.641 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.9 mp -62.38 -13.87 33.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.420000000000002 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 407' ' ' HIS . 13.6 ttp85 -85.1 -16.39 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.706 HG21 ' CE2' ' A' ' 489' ' ' PHE . 19.0 t -96.39 -51.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 64.340000000000003 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.5 mtm180 -36.71 -40.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 75.219999999999999 110.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.24 -54.04 10.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -23.68 6.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 54.100000000000001 109.296 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 16.5 mt -73.98 -35.4 64.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.3 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.58 -8.15 56.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 110.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -94.5 -5.32 46.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 53.229999999999997 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.673 HD13 HG11 ' A' ' 524' ' ' VAL . 4.1 mt -117.38 -44.89 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.244 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 173.03 -68.68 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 75.319999999999993 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.0 OUTLIER -48.78 144.45 7.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 71.230000000000004 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.789 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.1 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.528 1.804 . . . . 73.430000000000007 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.8 OUTLIER -70.06 -18.35 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.520000000000003 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 59.33 -97.33 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 62.009999999999998 110.963 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 164.02 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 44.43 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -152.07 153.57 34.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 72.239999999999995 110.375 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.702 ' CD1' ' CG2' ' A' ' 398' ' ' VAL . 1.9 m-30 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 44.240000000000002 111.07 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.782 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 29.5 mt-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.546 0.212 . . . . 61.049999999999997 110.43 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.58 ' CG ' ' CE1' ' A' ' 448' ' ' HIS . 0.8 OUTLIER -68.14 -14.31 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.409999999999997 109.339 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -103.84 -34.56 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.425 HG13 HD11 ' A' ' 452' ' ' ILE . 66.9 mt -69.33 -19.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 43.520000000000003 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -104.03 -58.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 75.540000000000006 109.354 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 444' ' ' ASP . 2.4 m170 -68.23 -62.58 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 72.040000000000006 109.603 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -70.66 157.58 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 63.399999999999999 110.056 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -65.57 -78.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 62.109999999999999 109.371 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.04 146.96 48.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 111.015 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.911 HG23 ' CG1' ' A' ' 398' ' ' VAL . 8.8 mm -79.3 138.69 19.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.299999999999997 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 397' ' ' PHE . 95.4 mt -113.42 113.56 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 465' ' ' SER . 11.8 mt -89.56 106.66 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 72.349999999999994 109.323 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 399' ' ' ILE . 6.9 tp -75.2 79.48 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 53.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 488' ' ' PRO . 6.2 mt -62.12 92.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 74.310000000000002 109.214 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.507 HG22 ' CG ' ' A' ' 491' ' ' PRO . 82.4 p -131.86 149.8 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 64.239999999999995 110.418 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.2 t -59.53 -15.68 19.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.065 . . . . 73.400000000000006 109.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.0 m-20 -90.0 -21.7 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.219999999999999 109.212 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 401' ' ' HIS . 32.6 t80 -112.68 172.34 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 75.349999999999994 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 36.6 t0 -112.63 135.6 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 65.230000000000004 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.464 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.5 m -94.03 -50.13 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 108.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -38.56 -41.3 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 75.140000000000001 110.302 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' A' ' 468' ' ' GLN . 1.7 tm? -77.81 -44.54 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 72.349999999999994 109.231 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.551 ' HB2' HD22 ' A' ' 454' ' ' LEU . 78.4 p -49.36 -27.3 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.010000000000005 109.974 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 506' ' ' LEU . 6.2 tt -88.92 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.37 1.044 . . . . 64.420000000000002 109.235 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -45.69 -28.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.430000000000007 109.547 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.466 ' HG3' HD22 ' A' ' 464' ' ' LEU . 68.9 mt-30 -75.62 -76.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.306 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 486' ' ' VAL . 8.8 p -39.95 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 468' ' ' GLN . 2.3 m-80 -74.88 -72.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.400000000000006 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -41.94 -27.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.430000000000007 110.286 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.782 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -82.79 -52.54 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 65.150000000000006 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.687 ' HE2' HG22 ' A' ' 469' ' ' VAL . 5.9 mtt -50.36 -54.0 24.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.430000000000007 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 471' ' ' GLN . 0.0 OUTLIER -66.89 -8.38 28.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 1.3 t -76.1 -50.3 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 110.014 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -138.1 92.37 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 75.540000000000006 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 473' ' ' MET . 13.9 mt -90.78 -38.06 13.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 75.230000000000004 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.1 t -64.73 -11.14 32.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 73.510000000000005 110.407 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.406 ' HG2' ' NE2' ' A' ' 480' ' ' GLN . 0.0 OUTLIER -77.5 -74.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 74.25 110.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 446' ' ' ILE . 0.1 OUTLIER -110.26 -27.37 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 110.323 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 40.62 67.51 0.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.555 1.16 . . . . 74.040000000000006 111.077 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.0 t -127.77 91.59 44.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 70.340000000000003 109.954 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.44 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -75.08 0.61 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.513 1.796 . . . . 65.140000000000001 111.0 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 43.36 2.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 29.2 p -111.53 30.3 7.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 51.539999999999999 108.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 469' ' ' VAL . 2.2 t -123.13 123.14 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 60.43 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.3 mm -132.59 96.84 18.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.388 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.517 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -75.0 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.381 1.727 . . . . 72.230000000000004 110.967 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.706 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.01 161.72 27.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.329999999999998 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LEU . 0.7 OUTLIER -141.52 97.96 6.61 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.402 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.507 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -74.96 150.58 38.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 75.209999999999994 111.014 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.634 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.2 mt -64.08 -17.13 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -73.19 -24.12 60.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 110.236 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.41 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.3 m -124.39 -178.5 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 63.32 109.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.18 159.14 43.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 70.319999999999993 110.009 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.422 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.0 -27.4 10.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.464 1.77 . . . . 72.109999999999999 110.978 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.25 72.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.57 -11.22 59.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 110.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.47 HD12 HG21 ' A' ' 503' ' ' THR . 2.3 mt -98.23 165.11 12.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 51.409999999999997 109.289 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.86 159.41 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 65.209999999999994 109.939 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.4 m -69.45 -11.53 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 505' ' ' SER . 24.9 m-20 -82.47 -34.05 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 72.430000000000007 109.332 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.884 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.8 m -45.32 -25.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 72.349999999999994 110.4 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -71.56 -44.42 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 63.32 109.316 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 502' ' ' ASP . 5.5 t -79.59 -13.36 59.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 62.140000000000001 110.041 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 503' ' ' THR . 34.0 mt -79.84 -32.15 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 71.230000000000004 109.311 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.8 pp -109.88 14.01 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.409999999999997 109.38 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 7.7 p -56.64 101.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 72.040000000000006 110.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 110.45 -25.56 15.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.446 1.091 . . . . 75.140000000000001 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 510' ' ' LEU . 14.5 mt -58.05 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 64.099999999999994 109.239 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 513' ' ' LEU . 50.5 t -116.14 92.14 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 61.240000000000002 109.39 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.57 128.93 37.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 110.284 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.671 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -110.39 145.53 37.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.271 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.481 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.5 m-20 -145.27 133.19 21.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 61.299999999999997 109.37 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.56 ' HB2' HD21 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -76.07 -1.15 24.55 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.536 1.148 . . . . 54.25 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.634 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.4 p-80 -121.3 44.12 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 64.25 109.535 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 520' ' ' PHE . 2.7 t -138.72 126.88 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 70.329999999999998 109.985 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -74.23 -2.78 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 110.411 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.35 -28.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 72.239999999999995 109.353 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.417 ' CB ' ' HB3' ' A' ' 517' ' ' SER . 1.6 t80 -40.51 -34.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 74.030000000000001 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.53 85.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 43.240000000000002 109.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.13 -22.8 60.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 110.302 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.742 ' CD ' HD11 ' A' ' 519' ' ' ILE . 24.0 mmmt -70.8 -43.16 69.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 42.439999999999998 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.673 HG11 HD13 ' A' ' 419' ' ' LEU . 2.7 p -79.4 -41.26 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 52.299999999999997 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -69.7 -9.82 55.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 72.319999999999993 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -85.88 -50.46 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 73.519999999999996 109.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -80.38 -53.99 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 55.539999999999999 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.527 ' CZ ' HD11 ' A' ' 453' ' ' ILE . 60.2 m-85 -86.86 58.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 111.048 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 533' ' ' LEU . 12.4 mmtt -59.86 157.57 28.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -36.44 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.299999999999997 110.954 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' CB ' ' A' ' 529' ' ' LYS . 55.8 p-80 -61.83 -16.73 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 72.310000000000002 109.614 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.422 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 31.6 mmm-85 -99.36 -55.67 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 65.299999999999997 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.8 mm? . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 109.257 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 15.8 m-30 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.506 0.194 . . . . 74.430000000000007 110.964 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.791 ' OD1' HD13 ' A' ' 533' ' ' LEU . 9.6 m-80 -115.41 -9.38 12.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.109999999999999 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.808 ' CD2' HD12 ' A' ' 453' ' ' ILE . 10.8 p90 -169.38 145.69 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 445' ' ' ALA . 2.9 t -112.22 108.75 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 63.329999999999998 109.357 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.496 ' CG2' HD22 ' A' ' 455' ' ' LEU . 35.0 mt -72.87 92.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.226 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.582 HD21 ' HD2' ' A' ' 427' ' ' PHE . 2.6 mt -72.07 100.66 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 72.349999999999994 109.248 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.786 ' CB ' HD23 ' A' ' 455' ' ' LEU . 13.4 p80 -140.32 173.38 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.56 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -65.58 -171.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 52.299999999999997 109.358 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.03 -4.96 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.75 17.17 22.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 72.239999999999995 109.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.627 ' HB3' HD12 ' A' ' 408' ' ' ILE . 0.0 OUTLIER -133.35 36.73 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.439999999999998 109.301 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 410' ' ' LEU . 20.3 tt0 -62.12 -72.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 72.219999999999999 110.261 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 23.7 p-80 -42.32 -36.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 71.420000000000002 109.555 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 405' ' ' ASP . 57.8 mt -58.07 -47.82 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 65.25 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.617 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -72.85 -56.1 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 109.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.0 mp -53.64 -20.42 5.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 109.345 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 18.7 ttp180 -77.09 -32.08 56.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 74.099999999999994 110.309 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.7 t -80.24 -49.68 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.299999999999997 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.481 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.9 mtm180 -36.55 -44.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.329999999999998 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.8 mm-40 -72.33 -57.27 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 61.030000000000001 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.866 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.9 mt -70.42 -44.31 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 75.030000000000001 109.23 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.2 mt-10 -64.3 -11.13 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 110.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.62 -6.27 59.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 72.310000000000002 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.499 ' CD1' HG11 ' A' ' 524' ' ' VAL . 3.5 mt -120.8 -45.12 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 60.200000000000003 109.188 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 178.56 -76.21 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 74.140000000000001 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.866 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -41.13 137.61 1.53 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 74.030000000000001 109.257 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -74.94 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 65.200000000000003 111.078 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.535 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.3 p-10 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 52.130000000000003 109.213 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.73 -96.73 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.15 . . . . 51.25 111.042 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.68 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 0.799 . . . . 64.010000000000005 109.216 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.8 p -152.4 152.56 32.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.441 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.582 ' HD2' HD21 ' A' ' 400' ' ' LEU . 7.7 t80 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.957 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.449 ' NE2' ' HA ' ' A' ' 472' ' ' ALA . 10.5 tp60 . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.559 0.219 . . . . 72.019999999999996 110.419 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.539 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.4 t0 -79.63 -3.3 46.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 75.340000000000003 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.831 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -101.69 -31.3 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 61.25 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 1.018 ' CD1' HG23 ' A' ' 469' ' ' VAL . 1.2 tt -78.88 -15.76 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 73.430000000000007 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.55 -43.29 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 70.329999999999998 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.7 OUTLIER -78.33 -64.61 1.13 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.616 1.197 . . . . 64.010000000000005 109.519 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.4 OUTLIER -70.96 154.0 42.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.420000000000002 109.917 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -61.93 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.107 . . . . 44.520000000000003 109.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 21.7 m-85 -117.75 138.32 52.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 73.400000000000006 111.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.831 HD11 ' C ' ' A' ' 445' ' ' ALA . 6.1 mm -82.22 137.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.18 . . . . 65.010000000000005 109.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.808 HD12 ' CD2' ' A' ' 397' ' ' PHE . 60.4 mt -110.77 122.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 62.420000000000002 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 465' ' ' SER . 12.3 mt -94.81 107.54 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 55.210000000000001 109.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.8 tp -73.09 96.73 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 72.109999999999999 109.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 488' ' ' PRO . 5.5 mt -74.99 97.68 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 71.519999999999996 109.273 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.558 HG22 ' CD ' ' A' ' 491' ' ' PRO . 6.6 p -143.57 147.18 34.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 73.319999999999993 110.427 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -15.5 18.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.987 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 16.2 m120 -85.64 -23.54 27.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 75.120000000000005 109.226 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 461' ' ' ASP . 50.0 t80 -108.11 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 110.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 19.8 m-20 -133.78 105.08 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 74.010000000000005 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 464' ' ' LEU . 8.2 p -63.64 -38.62 91.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 72.450000000000003 108.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -38.63 -31.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 64.040000000000006 110.389 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' A' ' 468' ' ' GLN . 0.8 OUTLIER -83.36 -66.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 70.400000000000006 109.352 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.777 ' HB2' HD22 ' A' ' 454' ' ' LEU . 59.8 p -39.35 -62.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.058 . . . . 73.450000000000003 109.991 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.466 HD13 ' ND2' ' A' ' 470' ' ' ASN . 2.0 tm? -48.72 -40.24 27.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.400000000000006 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.2 OUTLIER -68.55 -29.59 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 75.120000000000005 109.615 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 464' ' ' LEU . 79.8 mt-30 -75.03 -70.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.618 1.199 . . . . 71.209999999999994 110.28 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 446' ' ' ILE . 2.8 p -44.91 -51.45 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 61.340000000000003 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 466' ' ' LEU . 1.0 OUTLIER -40.23 -50.6 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 64.019999999999996 109.32 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 474' ' ' MET . 14.0 mm-40 -70.89 -41.2 71.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 62.210000000000001 110.335 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 446' ' ' ILE . . . -60.38 -19.92 57.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 52.299999999999997 109.182 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.497 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 35.5 mtt -84.03 -54.12 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.049999999999997 111.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.42 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.7 OUTLIER -71.6 -3.87 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 70.010000000000005 111.033 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.436 ' OG ' ' NE2' ' A' ' 443' ' ' GLN . 76.4 p -80.86 -53.55 6.37 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.55 1.156 . . . . 73.219999999999999 110.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.444 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 11.2 p-10 -134.93 92.93 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 473' ' ' MET . 17.4 mt -89.94 -39.28 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.8 t -65.73 -10.08 33.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.474 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -78.52 -73.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 110.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.1 OUTLIER -113.21 -26.12 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.355 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 37.56 63.0 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 64.439999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.86 95.16 19.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 110.049 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.454 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.464 1.771 . . . . 75.510000000000005 110.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.21 43.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 63.329999999999998 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . 0.416 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 26.0 p -111.89 23.58 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 61.310000000000002 108.275 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.852 HG22 HG21 ' A' ' 469' ' ' VAL . 3.7 t -119.02 119.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 70.25 109.25 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.795 ' CG2' HD22 ' A' ' 513' ' ' LEU . 0.4 OUTLIER -120.33 101.34 46.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.430000000000007 109.253 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.0 97.2 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 70.430000000000007 111.077 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 412' ' ' VAL . 4.9 t80 -77.69 169.74 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 111.046 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 496' ' ' PRO . 1.8 tt -157.07 103.42 1.9 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 51.32 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.558 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -75.02 174.13 13.33 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.568 1.826 . . . . 74.430000000000007 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.6 mp -79.43 -25.68 41.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.642 1.214 . . . . 44.229999999999997 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.34 -33.45 75.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 55.25 110.397 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -111.65 -179.58 3.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.485 1.116 . . . . 44.100000000000001 109.977 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.24 162.23 33.37 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 70.030000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.505 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 -25.28 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 64.030000000000001 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -72.13 -24.55 61.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 60.43 109.205 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 499' ' ' LEU . 1.5 mt-30 -73.6 -8.24 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 71.140000000000001 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 499' ' ' LEU . 2.2 mt -100.34 163.73 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 70.019999999999996 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.5 t -74.4 161.18 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.581 1.176 . . . . 72.010000000000005 109.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 75.2 m -68.2 -8.76 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 62.200000000000003 109.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 505' ' ' SER . 9.1 m-20 -84.07 -34.26 24.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 64.409999999999997 109.306 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 506' ' ' LEU . 15.7 m -44.35 -47.99 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.162 . . . . 64.409999999999997 110.402 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.6 -35.59 65.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 22.449999999999999 109.21 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.4 m -84.1 -22.03 31.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.340000000000003 110.05 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 503' ' ' THR . 97.4 mt -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 63.43 109.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.68 24.2 9.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.319999999999993 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.64 99.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 131.38 -24.12 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 44.240000000000002 111.095 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 486' ' ' VAL . 39.5 mt -74.98 179.65 4.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.579 0.811 . . . . 65.049999999999997 109.309 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.78 102.09 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.7 125.31 24.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.607 1.192 . . . . 73.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.795 HD22 ' CG2' ' A' ' 487' ' ' ILE . 0.6 OUTLIER -96.1 129.08 43.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 70.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.68 133.58 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 72.340000000000003 109.359 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 14.8 tp10 -82.11 -23.33 35.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 62.32 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.2 OUTLIER -91.44 5.68 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 73.430000000000007 109.588 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.5 t -89.66 149.4 22.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 74.099999999999994 110.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -8.24 33.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 70.120000000000005 110.284 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.777 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.62 -25.53 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 52.119999999999997 109.276 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.4 OUTLIER -40.13 -35.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 64.510000000000005 110.989 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.02 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.129999999999995 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.735 ' HB2' HD12 ' A' ' 519' ' ' ILE . 9.6 mpt_? -74.7 -19.52 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 110.205 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -76.04 -40.06 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 75.299999999999997 109.229 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 513' ' ' LEU . 1.4 p -80.16 -45.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 73.25 109.223 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.45 -11.43 42.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 73.519999999999996 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.8 m-20 -88.97 -57.05 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.226 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 487' ' ' ILE . 5.9 t -69.98 -54.58 12.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 71.099999999999994 110.401 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.6 m-85 -86.9 41.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 65.019999999999996 111.019 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.682 ' O ' HD23 ' A' ' 533' ' ' LEU . 17.3 mttm -40.44 154.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 74.340000000000003 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 63.43 111.063 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -59.27 -15.89 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 72.239999999999995 109.656 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.22 -42.71 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.25 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.791 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.44 0.162 . . . . 63.5 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 533' ' ' LEU . 0.0 OUTLIER -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 109.36 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.88 ' CG ' HD12 ' A' ' 453' ' ' ILE . 4.7 p90 -173.8 -177.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 71.120000000000005 111.066 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 398' ' ' VAL . 1.6 t -135.14 93.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 73.010000000000005 109.35 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 397' ' ' PHE . 93.6 mt -69.05 97.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.358 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 427' ' ' PHE . 5.6 mt -80.54 95.06 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.519999999999996 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.5 p80 -123.15 173.14 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.566 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.452 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.47 -160.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 44.119999999999997 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -98.92 -15.01 19.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 73.319999999999993 110.294 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.4 16.58 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 61.119999999999997 109.351 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.562 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.1 OUTLIER -120.27 28.01 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 72.340000000000003 109.375 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.486 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 24.7 tt0 -65.76 -77.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.230000000000004 110.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 408' ' ' ILE . 2.5 p-80 -39.46 -34.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 63.009999999999998 109.61 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 407' ' ' HIS . 64.7 mt -59.44 -53.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 74.230000000000004 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -67.37 -52.24 42.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 54.530000000000001 109.279 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.0 mt -47.8 -24.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 53.399999999999999 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -77.86 -38.86 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.1 t -68.35 -54.63 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 72.409999999999997 109.368 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 416' ' ' LEU . 9.7 mtm180 -37.04 -47.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 110.303 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.4 mm-40 -74.74 -49.22 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.450000000000003 110.285 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -24.86 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.219999999999999 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.943 ' HB3' HG13 ' A' ' 421' ' ' VAL . 13.8 mt -75.68 -35.53 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.019999999999996 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 3.6 mt-10 -66.7 -8.37 27.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -92.06 -6.03 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 53.299999999999997 109.315 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 524' ' ' VAL . 5.9 mt -117.73 -45.01 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 74.120000000000005 109.247 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 172.42 -71.79 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 65.230000000000004 111.026 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.943 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.8 OUTLIER -46.73 137.64 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.606 0.827 . . . . 64.099999999999994 109.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.5 Cg_endo -74.96 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.431 1.753 . . . . 71.430000000000007 111.062 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 7.1 p-10 -50.87 -47.75 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 86.45 -101.55 2.63 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.601 1.188 . . . . 72.340000000000003 111.015 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 169.03 173.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 64.140000000000001 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 4.9 p -151.29 120.67 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 73.409999999999997 110.402 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.867 ' O ' HD23 ' A' ' 400' ' ' LEU . 2.3 t80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 63.299999999999997 111.013 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 472' ' ' ALA . 19.0 mt-30 . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.267 -0.271 . . . . 54.109999999999999 110.267 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.1 t70 -72.06 -13.73 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 72.049999999999997 109.279 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.654 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -87.38 -11.76 48.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 75.450000000000003 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 469' ' ' VAL . 5.2 mt -98.03 -21.51 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.264 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -104.03 -43.82 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.197 . . . . 71.120000000000005 109.283 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 4.5 t-160 -78.7 -56.68 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 75.230000000000004 109.658 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -70.91 153.05 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 60.030000000000001 109.997 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.11 -69.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 41.149999999999999 109.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.571 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 14.7 m-85 -134.99 133.93 39.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.129999999999995 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.654 HD11 ' C ' ' A' ' 445' ' ' ALA . 13.2 mm -69.06 131.63 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 74.349999999999994 109.296 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.88 HD12 ' CG ' ' A' ' 397' ' ' PHE . 82.9 mt -105.92 125.12 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 75.030000000000001 109.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.863 ' CD2' HG13 ' A' ' 486' ' ' VAL . 0.6 OUTLIER -107.28 91.28 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 64.329999999999998 109.206 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 457' ' ' THR . 9.1 tp -62.63 80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 70.140000000000001 109.326 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.66 HD22 ' SG ' ' A' ' 462' ' ' CYS . 8.5 mt -62.49 92.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.349999999999994 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 455' ' ' LEU . 31.5 p -124.76 145.18 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.633 1.208 . . . . 71.140000000000001 110.345 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -18.67 5.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 65.319999999999993 110.051 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.7 -26.67 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.343 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 58.5 t80 -100.97 171.78 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 75.099999999999994 111.085 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 6.2 m-20 -123.97 127.16 47.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 62.229999999999997 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.66 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.3 m -79.05 -50.15 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.020000000000003 108.376 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 16.7 mtp180 -38.73 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 110.411 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.2 tm? -74.26 -75.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 73.209999999999994 109.222 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 400' ' ' LEU . 0.2 OUTLIER -41.77 -59.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 55.109999999999999 110.049 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -49.42 -36.36 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 72.129999999999995 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.456 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 6.7 t60 -76.11 -27.88 57.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 65.549999999999997 109.654 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 3.7 mt-30 -77.0 -66.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 1.052 HG23 HD11 ' A' ' 446' ' ' ILE . 7.1 p -47.36 -52.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.371 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.482 ' N ' HG13 ' A' ' 469' ' ' VAL . 1.2 m-80 -40.4 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 73.209999999999994 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 17.8 mm-40 -48.87 -46.82 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 74.400000000000006 110.259 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -52.18 -40.19 61.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 54.210000000000001 109.228 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 3.4 mmt -70.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.040000000000006 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.538 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -58.97 -14.53 9.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 73.209999999999994 111.047 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 41.9 t -91.94 -19.83 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.140000000000001 109.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.6 t30 -143.58 87.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 64.450000000000003 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.7 mt -111.02 -20.96 12.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.226 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.0 t -72.42 -4.13 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 73.219999999999999 110.361 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -74.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.549999999999997 110.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.45 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -116.17 -30.61 5.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 110.321 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 37.67 44.62 1.35 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 111.019 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.8 m -111.51 97.81 37.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.434 0.726 . . . . 53.420000000000002 109.979 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.442 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 17.9 Cg_endo -75.09 0.3 9.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 63.039999999999999 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.5 15.78 20.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.12 37.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.863 HG13 ' CD2' ' A' ' 454' ' ' LEU . 13.6 t -121.58 141.56 41.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 72.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.863 HD13 ' O ' ' A' ' 486' ' ' VAL . 5.4 mm -142.43 94.93 6.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 62.109999999999999 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.514 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.564 1.823 . . . . 70.530000000000001 110.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.4 t80 -77.95 169.05 18.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 75.540000000000006 110.953 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.547 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.8 tm? -152.88 103.39 2.66 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.464 1.103 . . . . 70.010000000000005 109.211 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.547 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.01 159.88 40.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 63.310000000000002 110.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 1.025 HD21 ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -69.89 -27.74 65.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 53.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.1 -28.24 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.42 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 29.7 m -117.61 175.73 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 62.43 110.016 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.32 165.56 18.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 51.020000000000003 110.038 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.77 6.87 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.435 1.755 . . . . 62.200000000000003 111.023 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.97 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.01 -6.09 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 75.549999999999997 110.394 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 12.6 mt -98.98 163.66 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 64.299999999999997 109.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 9.9 m -55.41 -179.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 72.319999999999993 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 7.4 t -86.21 -23.24 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 64.310000000000002 110.047 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 505' ' ' SER . 21.3 t0 -77.02 -33.38 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -43.64 -44.94 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.403 1.065 . . . . 75.109999999999999 110.358 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . 0.483 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -58.53 -37.25 75.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 42.310000000000002 109.304 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.6 t -82.31 -18.94 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 41.009999999999998 109.965 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 503' ' ' THR . 88.7 mt -71.71 -39.35 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 73.129999999999995 109.3 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -125.97 25.47 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 62.100000000000001 109.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . 0.483 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.1 OUTLIER -54.44 -31.68 55.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.200000000000003 110.034 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.5 -30.87 5.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 71.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.03 150.04 21.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 51.32 109.363 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 29.4 t -76.04 107.43 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 55.240000000000002 109.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.51 119.19 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 72.349999999999994 110.357 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.755 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.9 tp -102.06 142.88 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 2.2 m-20 -144.59 167.44 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.030000000000001 109.291 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 1.025 ' CD ' HD21 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -106.76 -4.75 19.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 70.0 110.239 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -110.09 31.43 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.439999999999998 109.541 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.9 t -122.56 129.95 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 53.530000000000001 109.99 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -76.9 -1.95 31.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.193 . . . . 73.219999999999999 110.231 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.766 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.8 -27.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 61.310000000000002 109.329 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.91 -35.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 72.439999999999998 111.033 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 419' ' ' LEU . . . -56.29 -47.19 79.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 65.010000000000005 109.285 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.73 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.61 -20.16 60.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 60.229999999999997 110.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.766 ' CD ' HD11 ' A' ' 519' ' ' ILE . 27.9 mmmt -74.34 -44.4 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 41.25 109.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 419' ' ' LEU . 1.3 p -76.34 -43.09 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -68.57 -8.78 44.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 71.010000000000005 109.34 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 7.4 m-20 -89.37 -50.25 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.252 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.554 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.0 t -85.19 -54.35 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 61.009999999999998 110.384 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 67.6 m-85 -86.3 55.77 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 73.430000000000007 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.808 ' O ' HD23 ' A' ' 533' ' ' LEU . 59.4 mttt -64.87 159.63 61.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 109.278 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 73.319999999999993 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -76.27 -3.16 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 71.450000000000003 109.639 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 11.4 tpt85 -101.9 -28.85 12.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 110.305 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.1 mm? . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 71.109999999999999 109.215 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.605 0.24 . . . . 73.319999999999993 110.868 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.746 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.5 m-80 -111.54 -14.11 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 64.25 109.243 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.838 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.4 p90 -171.7 124.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.065 . . . . 72.439999999999998 111.02 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 452' ' ' ILE . 1.2 p -88.55 112.24 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.030000000000001 109.361 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.769 HD11 ' HE2' ' A' ' 397' ' ' PHE . 47.4 mt -83.4 105.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 74.510000000000005 109.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -86.49 121.84 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 74.150000000000006 109.344 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.1 p80 -152.56 -173.17 4.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 64.310000000000002 109.605 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -85.54 -159.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 64.219999999999999 109.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -99.25 -14.88 19.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.51 17.11 23.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 74.129999999999995 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.82 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.5 OUTLIER -124.45 27.67 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 109.307 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.588 ' HG2' HD13 ' A' ' 410' ' ' LEU . 33.0 tt0 -64.46 -72.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 27.5 p-80 -41.44 -36.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.019999999999996 109.6 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 405' ' ' ASP . 56.6 mt -59.11 -49.69 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 52.420000000000002 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -70.4 -57.27 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.439999999999998 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 406' ' ' GLU . 9.5 mp -52.46 -21.4 3.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 72.409999999999997 109.294 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 6.6 ttt85 -79.11 -31.94 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.253 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 416' ' ' LEU . 3.3 t -79.32 -47.94 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.450000000000003 109.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.478 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.5 mtm180 -37.86 -49.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 72.040000000000006 110.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 417' ' ' GLU . 8.0 mm-40 -73.28 -52.59 13.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.617 1.198 . . . . 65.150000000000006 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.1 OUTLIER -48.77 -23.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 73.329999999999998 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.871 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.8 mt -78.84 -39.44 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.459 ' CD ' ' HA ' ' A' ' 422' ' ' PRO . 2.8 mt-10 -65.78 -9.31 27.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.540000000000006 110.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -87.74 -6.73 58.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 24.239999999999998 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.503 ' CD1' HG11 ' A' ' 524' ' ' VAL . 4.0 mt -119.34 -45.11 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.396 1.06 . . . . 74.219999999999999 109.263 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 179.13 -78.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 111.016 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.82 138.06 1.08 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 54.43 109.232 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.99 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 70.340000000000003 110.927 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.516 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 10.2 p-10 -62.22 -42.84 99.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 73.219999999999999 109.308 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.684 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.77 -96.84 1.32 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.44 1.088 . . . . 71.140000000000001 111.042 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.05 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 0.822 . . . . 72.219999999999999 109.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.0 p -152.18 117.63 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 71.209999999999994 110.384 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.634 ' O ' HD23 ' A' ' 400' ' ' LEU . 1.5 t80 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 44.049999999999997 111.018 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.573 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 7.3 mt-30 . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.285 -0.265 . . . . 74.120000000000005 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.24 -44.78 95.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 60.229999999999997 109.344 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -66.28 -28.64 68.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 61.399999999999999 109.297 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.469 HG13 ' CG1' ' A' ' 452' ' ' ILE . 19.2 mt -78.57 -7.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.245 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -104.21 -42.96 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.378 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -96.6 -54.87 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 61.399999999999999 109.62 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.7 OUTLIER -70.62 148.35 48.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 70.430000000000007 109.968 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.39 -76.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.267 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -119.9 132.33 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.239999999999995 110.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 398' ' ' VAL . 33.2 mm -69.24 127.52 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.219999999999999 109.341 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.5 mt -103.49 112.58 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 71.420000000000002 109.239 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 465' ' ' SER . 1.0 OUTLIER -94.61 103.91 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 75.150000000000006 109.374 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 457' ' ' THR . 6.7 tp -69.76 79.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 71.099999999999994 109.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.1 mt -58.93 93.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 74.239999999999995 109.351 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 455' ' ' LEU . 27.6 p -127.22 148.0 50.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 71.540000000000006 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.8 p -57.77 -16.57 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 65.25 110.016 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.99 -23.28 20.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.368 1.043 . . . . 75.519999999999996 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.594 ' CE2' ' OG ' ' A' ' 465' ' ' SER . 38.1 t80 -110.19 166.33 11.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 53.119999999999997 111.005 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 41.9 m-20 -104.23 137.76 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 74.430000000000007 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 456' ' ' LEU . 19.2 p -94.07 -46.3 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 64.420000000000002 108.408 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 463' ' ' ARG . 19.7 mtm105 -45.19 -59.84 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 110.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.593 HD11 ' CD ' ' A' ' 468' ' ' GLN . 2.9 tm? -49.79 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 55.210000000000001 109.243 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.0 OUTLIER -36.97 -54.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 74.439999999999998 109.963 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.7 tm? -54.98 -50.3 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 72.219999999999999 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 464' ' ' LEU . 3.4 m-70 -49.44 -57.23 7.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 71.299999999999997 109.649 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.593 ' CD ' HD11 ' A' ' 464' ' ' LEU . 82.1 mt-30 -50.0 -63.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.292 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.96 HG11 HG22 ' A' ' 486' ' ' VAL . 20.0 t -43.74 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.049999999999997 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLN . 1.8 m-80 -40.39 -68.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.387 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 475' ' ' SER . 3.0 mm100 -37.48 -45.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.231 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.573 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 53.240000000000002 109.197 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.805 ' HE1' HG23 ' A' ' 486' ' ' VAL . 2.6 mtt -51.74 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.532 1.145 . . . . 53.350000000000001 111.089 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.731 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -47.77 -22.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 65.150000000000006 111.006 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 14.5 t -82.17 -34.59 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.319999999999993 110.042 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 473' ' ' MET . 52.7 t30 -129.55 89.81 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 74.030000000000001 109.312 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 474' ' ' MET . 9.9 mt -112.36 -20.55 11.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.445 HG23 ' CD ' ' A' ' 479' ' ' ARG . 8.9 t -74.36 -1.75 22.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.5 1.125 . . . . 63.149999999999999 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.445 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.3 OUTLIER -103.79 -74.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 72.519999999999996 110.308 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -116.15 -31.04 5.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 64.109999999999999 110.187 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 41.58 44.96 4.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.054 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.7 m -110.32 99.29 39.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 72.340000000000003 110.038 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.459 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -74.98 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.411 1.743 . . . . 71.209999999999994 110.956 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -94.89 20.64 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.439999999999998 109.285 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 74.7 m -93.6 21.32 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 61.210000000000001 108.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 11.1 t -112.73 126.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.1 mm -137.3 90.38 15.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.083 . . . . 75.450000000000003 109.357 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 103.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 75.400000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.502 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -77.86 164.99 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.040000000000006 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -141.93 98.79 6.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.299 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -74.98 149.08 36.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 63.130000000000003 111.0 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 492' ' ' LEU . 1.7 mt -61.79 -21.31 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 64.409999999999997 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -18.58 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 110.313 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.0 m -130.37 177.98 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 53.229999999999997 110.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.36 162.42 32.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 70.129999999999995 109.979 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.409 ' HB3' ' NH1' ' A' ' 512' ' ' ARG . 18.5 Cg_endo -74.89 -31.9 6.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 70.120000000000005 111.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.89 70.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 109.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 3.0 mt-30 -67.58 -11.64 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 72.540000000000006 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 503' ' ' THR . 1.6 mt -98.82 167.73 10.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.7 m -64.55 156.48 29.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 42.039999999999999 109.96 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 37.4 t -65.96 -10.53 40.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 73.129999999999995 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -80.96 -30.02 35.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 40.299999999999997 109.24 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.717 HG22 HD21 ' A' ' 507' ' ' LEU . 29.8 m -48.15 -49.82 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 74.319999999999993 110.443 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -45.45 -32.46 2.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 64.140000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 10.8 t -90.04 -29.98 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 70.239999999999995 110.047 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 503' ' ' THR . 92.7 mt -57.03 -38.32 72.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 65.129999999999995 109.366 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.717 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -100.3 16.94 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.288 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 12.4 t -51.89 105.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 61.399999999999999 110.025 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 89.88 -31.57 5.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 73.340000000000003 111.049 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 507' ' ' LEU . 9.8 mt -47.42 172.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 0.748 . . . . 70.150000000000006 109.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 487' ' ' ILE . 75.6 t -108.7 99.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 64.510000000000005 109.216 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.481 ' HD3' HD13 ' A' ' 507' ' ' LEU . 12.0 ttp180 -94.71 133.95 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.609 1.193 . . . . 63.140000000000001 110.295 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.64 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -105.29 161.24 14.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 109.179 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.6 m-20 -145.38 133.75 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 492' ' ' LEU . 5.3 tp10 -79.38 3.43 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 110.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.672 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.2 p-80 -124.67 38.57 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.601 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.7 t -133.51 126.54 31.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 60.240000000000002 109.947 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -75.76 -0.85 22.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.312 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.768 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.59 -27.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 70.329999999999998 109.32 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 513' ' ' LEU . 1.4 t80 -40.24 -34.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.549999999999997 110.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 54.100000000000001 109.335 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.743 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.71 -21.84 60.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.019999999999996 110.238 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.768 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.2 mmmt -72.73 -46.1 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 73.040000000000006 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -74.79 -45.79 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 52.229999999999997 109.309 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -65.11 -10.85 33.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 72.409999999999997 109.287 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.9 m-20 -86.23 -53.0 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.634 1.209 . . . . 72.450000000000003 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.4 t -78.98 -55.44 5.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 73.109999999999999 110.413 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.32 56.93 3.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 111.059 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.544 ' O ' HD23 ' A' ' 533' ' ' LEU . 41.6 mttt -72.94 158.51 87.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 75.420000000000002 109.228 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -33.94 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 74.010000000000005 111.061 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 532' ' ' ARG . 8.9 p-80 -69.42 -11.49 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.439999999999998 109.641 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 531' ' ' HIS . 19.3 mmm180 -101.74 -38.2 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.746 HD12 ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.409999999999997 109.218 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.398 0.142 . . . . 74.049999999999997 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.745 ' ND2' HD12 ' A' ' 533' ' ' LEU . 9.9 m-20 -114.72 -11.79 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 65.109999999999999 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.714 ' HE2' HD11 ' A' ' 399' ' ' ILE . 27.9 p90 -179.84 113.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 71.409999999999997 111.051 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.6 t -81.09 109.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 64.140000000000001 109.332 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.714 HD11 ' HE2' ' A' ' 397' ' ' PHE . 87.7 mt -77.95 95.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 70.25 109.358 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 427' ' ' PHE . 15.7 tp -78.24 112.21 14.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 20.1 p80 -138.08 -162.51 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.456 1.097 . . . . 74.129999999999995 109.707 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -93.55 -159.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 74.519999999999996 109.205 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.14 -23.36 15.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 61.439999999999998 110.385 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -102.59 17.07 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 109.285 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.478 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.7 OUTLIER -123.27 28.32 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 109.28 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 34.2 tt0 -66.12 -76.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 72.420000000000002 110.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.1 p-80 -38.22 -37.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 109.611 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 407' ' ' HIS . 28.4 mt -56.25 -54.82 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 109.334 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.42 -44.52 90.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.526 1.141 . . . . 64.349999999999994 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 11.5 mt -60.91 -25.14 66.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 61.32 109.279 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -79.2 -12.75 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.372 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -96.32 -52.89 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 72.010000000000005 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.485 ' CZ ' HD22 ' A' ' 410' ' ' LEU . 10.3 mtm180 -36.71 -42.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.335 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 415' ' ' LYS . 29.6 mt-10 -73.03 -60.67 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 55.310000000000002 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.78 -48.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 65.439999999999998 109.245 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.913 ' HB3' HG13 ' A' ' 421' ' ' VAL . 98.5 mt -47.94 -57.2 6.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 64.430000000000007 109.359 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 5.8 mt-10 -38.53 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 110.262 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.04 -54.1 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.378 1.048 . . . . 64.140000000000001 109.241 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.972 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.77 -45.26 75.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.317 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.36 -67.77 0.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 54.049999999999997 111.063 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.913 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.09 138.15 0.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 54.350000000000001 109.255 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.04 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 63.350000000000001 110.944 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.585 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -64.35 -42.03 96.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.510000000000005 109.267 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.17 -95.38 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 45.130000000000003 111.002 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.77 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 73.150000000000006 109.317 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -151.98 139.87 20.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 64.099999999999994 110.463 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 400' ' ' LEU . 24.1 t80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 110.989 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 447' ' ' ASP . 29.8 mm-40 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.289 -0.263 . . . . 73.010000000000005 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -71.62 -5.61 34.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 72.319999999999993 109.296 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 1.053 ' HB1' HD12 ' A' ' 452' ' ' ILE . . . -92.82 -36.34 12.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 63.420000000000002 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 473' ' ' MET . 0.1 OUTLIER -101.56 2.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 109.304 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 443' ' ' GLN . 80.9 m-20 -102.02 -48.97 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 51.130000000000003 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -138.53 67.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 64.439999999999998 109.557 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -162.07 114.95 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 110.045 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -39.26 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.476 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 14.3 m-85 -127.47 142.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 64.349999999999994 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 1.053 HD12 ' HB1' ' A' ' 445' ' ' ALA . 12.5 mm -79.46 131.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 109.369 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 528' ' ' PHE . 7.6 mt -109.14 113.72 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 109.333 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.629 ' CD2' HG13 ' A' ' 486' ' ' VAL . 1.2 mm? -97.81 106.39 18.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.483 HD21 HG22 ' A' ' 408' ' ' ILE . 11.5 tp -67.07 94.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 60.439999999999998 109.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 488' ' ' PRO . 4.8 mt -76.24 96.27 3.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 71.239999999999995 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.534 HG22 ' CD ' ' A' ' 491' ' ' PRO . 1.6 p -136.96 156.31 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 75.319999999999993 110.38 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -10.75 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.010000000000005 110.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.3 m120 -95.46 -4.64 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 65.150000000000006 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 400' ' ' LEU . 48.0 t80 -125.64 170.59 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 75.120000000000005 110.993 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 0.6 OUTLIER -120.39 117.56 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.283 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 463' ' ' ARG . 4.8 m -68.25 -48.52 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.450000000000003 108.225 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 467' ' ' HIS . 12.9 mtt-85 -38.35 -58.08 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 64.400000000000006 110.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 467' ' ' HIS . 1.7 tm? -58.5 -54.7 44.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 64.530000000000001 109.218 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 400' ' ' LEU . 0.6 OUTLIER -38.71 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 110.061 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.492 HD13 ' ND2' ' A' ' 470' ' ' ASN . 2.9 tm? -85.06 -50.49 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 61.43 109.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 463' ' ' ARG . 1.7 m-70 -51.79 -28.79 16.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.674 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.438 ' OE1' HD21 ' A' ' 400' ' ' LEU . 32.5 mt-30 -78.93 -77.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 53.130000000000003 110.249 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 466' ' ' LEU . 9.1 p -40.09 -30.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 71.530000000000001 109.377 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.492 ' ND2' HD13 ' A' ' 466' ' ' LEU . 0.7 OUTLIER -57.87 -74.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 64.040000000000006 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.547 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.4 mm100 -41.01 -47.17 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 110.367 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -52.94 -53.91 42.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 109.264 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.557 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 54.0 mtt -52.45 -70.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.400000000000006 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.81 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.17 -17.5 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 111.054 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.2 t -83.04 -28.28 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.016 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.2 t30 -139.08 88.56 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 53.030000000000001 109.286 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -111.55 -20.45 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 42.119999999999997 109.336 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.6 t -74.92 -1.4 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 73.319999999999993 110.353 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.418 ' HB2' ' ND2' ' A' ' 476' ' ' ASN . 15.6 mmm-85 -103.28 -73.5 0.66 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.332 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 0.4 OUTLIER -115.39 -33.58 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.200000000000003 110.253 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.08 44.8 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.909 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 66.8 m -109.93 99.77 40.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 74.530000000000001 110.079 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.557 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.08 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.598 1.841 . . . . 74.310000000000002 110.953 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -100.85 13.23 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.256 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 7.9 m -93.08 42.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 52.450000000000003 108.34 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 58.4 t -121.72 131.95 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 73.299999999999997 109.296 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.4 mm -136.01 98.06 11.94 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 75.049999999999997 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.5 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 74.540000000000006 111.005 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.455 ' HB2' HG23 ' A' ' 453' ' ' ILE . 6.5 t80 -77.74 169.22 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' A' ' 496' ' ' PRO . 2.8 tp -151.81 101.89 2.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 42.229999999999997 109.273 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.534 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 149.53 36.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 55.140000000000001 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.2 mp -56.71 -32.93 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.419 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.5 mm-40 -54.26 -33.35 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 74.519999999999996 110.295 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.436 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -116.26 -177.43 3.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 71.340000000000003 110.037 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.51 165.36 19.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 61.219999999999999 110.032 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.659 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -74.9 -31.18 6.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.578 1.831 . . . . 75.099999999999994 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.18 69.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 71.140000000000001 109.249 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 495' ' ' SER . 3.4 mt-30 -71.51 -5.18 31.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 65.25 110.273 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.91 163.75 12.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 70.349999999999994 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 7.1 p -71.08 154.97 41.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.209999999999994 110.001 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 8.3 t -65.76 -11.2 43.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 71.200000000000003 109.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.9 OUTLIER -84.72 -37.03 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 72.120000000000005 109.303 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.75 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -42.4 -27.52 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 72.209999999999994 110.433 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -71.56 -49.07 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 72.299999999999997 109.234 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 3.8 m -74.23 -17.72 60.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 64.150000000000006 109.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 503' ' ' THR . 62.0 mt -74.7 -33.05 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.618 1.199 . . . . 70.540000000000006 109.22 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.5 pp -111.55 16.31 20.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 63.119999999999997 109.284 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.1 t -50.58 100.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 62.409999999999997 109.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.68 -38.29 2.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 71.329999999999998 111.04 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 507' ' ' LEU . 28.7 mt -51.43 179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 71.430000000000007 109.334 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 38.5 t -112.75 92.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 71.150000000000006 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -52.95 107.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 72.329999999999998 110.24 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.769 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.7 tp -96.49 132.78 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.5 109.311 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.57 167.67 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.310000000000002 109.312 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 7.4 tp10 -113.75 -10.8 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 72.120000000000005 110.395 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -99.44 -12.81 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 72.510000000000005 109.55 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.35 133.0 38.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 110.02 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.4 pt20 -78.74 2.46 19.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 44.439999999999998 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 519' ' ' ILE . 0.1 OUTLIER -108.08 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 74.010000000000005 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.4 t80 -40.78 -34.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 111.036 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -54.9 -47.09 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 75.109999999999999 109.275 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 519' ' ' ILE . 8.8 mpt_? -75.18 -19.31 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 74.530000000000001 110.264 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.736 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.7 mmmt -74.56 -44.22 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.972 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -73.29 -40.68 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 109.328 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.73 -3.95 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 71.409999999999997 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.0 m-20 -95.22 -38.75 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 109.268 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.0 t -95.97 -54.21 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 55.32 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 453' ' ' ILE . 54.4 m-85 -85.92 50.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 63.020000000000003 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 30.7 mttt -61.37 160.05 26.92 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 62.439999999999998 109.23 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -32.71 5.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.587 1.835 . . . . 64.129999999999995 110.945 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 532' ' ' ARG . 1.3 p-80 -70.33 -8.65 52.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 109.579 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.536 ' HG2' ' CD2' ' A' ' 531' ' ' HIS . 29.4 mmm180 -101.47 -54.42 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 51.439999999999998 110.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.745 HD12 ' ND2' ' A' ' 396' ' ' ASN . 1.6 mm? . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 109.345 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 1.1 m-30 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.517 0.198 . . . . 71.420000000000002 110.958 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 8.4 m-80 -112.61 -11.35 13.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 72.010000000000005 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.913 ' CD2' HD12 ' A' ' 453' ' ' ILE . 27.4 p90 -178.71 112.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 71.25 110.976 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 1.0 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -78.23 115.17 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.314 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.791 HD11 ' HE2' ' A' ' 397' ' ' PHE . 56.8 mt -87.09 121.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 55.329999999999998 109.263 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 427' ' ' PHE . 2.9 mm? -93.48 91.07 6.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.721 ' CB ' HD23 ' A' ' 455' ' ' LEU . 3.1 p80 -116.24 176.86 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.646 1.216 . . . . 73.200000000000003 109.593 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 401' ' ' HIS . . . -85.85 -158.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 109.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -98.6 -20.24 17.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 71.120000000000005 110.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.55 16.55 23.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 52.350000000000001 109.284 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . 0.476 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.9 OUTLIER -121.27 26.06 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 63.329999999999998 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.547 ' CG ' HD13 ' A' ' 410' ' ' LEU . 29.0 tt0 -61.06 -74.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 110.242 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 22.1 p-80 -42.2 -34.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 109.557 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.476 HD12 ' CG ' ' A' ' 405' ' ' ASP . 55.8 mt -60.53 -48.91 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 74.239999999999995 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.06 -58.14 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 73.120000000000005 109.258 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.547 HD13 ' CG ' ' A' ' 406' ' ' GLU . 8.7 mp -49.92 -23.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 74.25 109.236 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 1.3 tmm_? -76.26 -35.08 59.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 74.540000000000006 110.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.8 t -75.3 -54.76 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 73.5 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.0 mtm180 -33.09 -45.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -70.89 -61.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 74.310000000000002 110.274 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.649 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -38.78 -53.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.32 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 421' ' ' VAL . 87.8 mt -40.26 -57.14 1.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 72.129999999999995 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 416' ' ' LEU . 9.9 mt-10 -36.15 -43.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 74.209999999999994 110.378 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -51.8 -53.46 39.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 109.382 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 1.065 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.47 -45.98 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 61.039999999999999 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.84 -68.77 0.19 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 53.509999999999998 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.08 137.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 44.119999999999997 109.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.03 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 73.310000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.549 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 4.9 p-10 -65.48 -40.45 93.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.274 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.646 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 74.34 -96.28 0.9 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 65.409999999999997 110.974 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 166.44 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 72.140000000000001 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 399' ' ' ILE . 5.4 p -152.29 108.24 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 62.229999999999997 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . 0.815 ' O ' HD13 ' A' ' 400' ' ' LEU . 1.2 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.981 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.657 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 13.6 mt-30 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.294 -0.261 . . . . 74.310000000000002 110.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 0.2 OUTLIER -84.01 -15.93 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 64.219999999999999 109.328 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.654 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -83.0 -14.96 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.340000000000003 109.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.678 ' HA ' HD11 ' A' ' 452' ' ' ILE . 1.3 tt -82.11 -28.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.262 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.24 -27.54 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 109.307 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 5.3 t-160 -95.94 26.37 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.614 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -161.25 162.47 31.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 65.439999999999998 110.022 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -68.4 -72.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.200000000000003 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.423 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 11.9 m-85 -133.89 139.57 46.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 110.892 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 1.0 HG23 HG12 ' A' ' 398' ' ' VAL . 17.9 mm -78.7 130.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.913 HD12 ' CD2' ' A' ' 397' ' ' PHE . 77.0 mt -109.19 121.98 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.299999999999997 109.279 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 465' ' ' SER . 17.4 mt -97.48 98.7 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 65.409999999999997 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 401' ' ' HIS . 8.5 tp -69.83 79.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.572 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.9 mt -68.94 106.86 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.219999999999999 109.209 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 491' ' ' PRO . 70.6 p -137.9 154.19 49.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 60.030000000000001 110.38 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 39.9 p -59.21 -15.69 16.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.959 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.27 -20.08 20.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.233 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 51.6 t80 -114.45 171.59 7.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.592 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.6 m-20 -116.9 143.21 45.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.572 ' SG ' HD13 ' A' ' 456' ' ' LEU . 3.4 m -93.59 -54.37 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 63.109999999999999 108.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -38.88 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 73.25 110.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.0 tm? -75.34 -75.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.869 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -39.11 -52.68 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 110.032 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.596 HD13 ' ND2' ' A' ' 470' ' ' ASN . 1.5 tm? -54.9 -45.88 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 72.519999999999996 109.248 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.544 ' CE1' ' OE1' ' A' ' 471' ' ' GLN . 7.0 t60 -57.63 -55.38 35.54 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 469' ' ' VAL . 3.8 mt-30 -57.99 -69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 74.299999999999997 110.306 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' A' ' 472' ' ' ALA . 0.7 OUTLIER -39.67 -49.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 54.240000000000002 109.344 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.596 ' ND2' HD13 ' A' ' 466' ' ' LEU . 1.0 OUTLIER -48.34 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.420000000000002 109.302 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.544 ' OE1' ' CE1' ' A' ' 467' ' ' HIS . 4.2 mt-30 -39.51 -45.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 62.020000000000003 110.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -46.49 -57.07 5.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 64.230000000000004 109.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.546 ' HE3' HG22 ' A' ' 486' ' ' VAL . 57.1 mtt -45.87 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 71.109999999999999 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.76 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.01 -17.71 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 64.349999999999994 110.98 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 19.2 m -82.63 -28.4 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 73.510000000000005 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 472' ' ' ALA . 48.4 t30 -141.18 90.6 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 65.200000000000003 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.0 mt -112.52 -21.09 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 51.32 109.213 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.1 t -75.99 0.28 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 64.319999999999993 110.383 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.421 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 14.2 mmt-85 -107.03 -72.91 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 110.233 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.2 OUTLIER -116.63 -34.96 4.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 44.149999999999999 110.316 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.444 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 39.43 56.92 2.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.607 1.192 . . . . 41.409999999999997 111.062 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.1 t -111.21 98.15 38.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 72.040000000000006 110.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.468 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.05 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 72.200000000000003 110.991 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -113.84 38.34 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.0 m -112.31 22.52 14.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 53.009999999999998 108.254 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.0 t -107.69 114.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 53.310000000000002 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.727 ' CG2' HD22 ' A' ' 513' ' ' LEU . 1.4 mm -122.67 98.41 43.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 60.219999999999999 109.378 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.42 ' CG ' ' HB2' ' A' ' 507' ' ' LEU . 18.2 Cg_endo -75.02 102.67 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 74.209999999999994 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.513 ' HD2' HD23 ' A' ' 513' ' ' LEU . 6.8 t80 -86.74 149.94 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.200000000000003 110.955 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.53 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.8 tm? -139.7 103.74 6.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 63.340000000000003 109.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.05 171.81 17.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 73.540000000000006 110.998 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.0 mp -75.89 -29.44 58.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.329999999999998 109.235 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.422 ' HB2' HD13 ' A' ' 408' ' ' ILE . 53.2 mm-40 -62.07 -29.69 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 71.439999999999998 110.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 491' ' ' PRO . 4.5 m -123.94 174.33 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 72.439999999999998 110.019 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.53 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.2 164.17 24.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 53.030000000000001 109.935 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -34.76 3.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 110.999 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -57.45 -36.55 71.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 53.149999999999999 109.355 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.54 -20.94 66.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.271 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 503' ' ' THR . 4.7 mt -86.74 169.94 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 73.519999999999996 109.242 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.6 m -61.97 152.52 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 1.113 . . . . 52.140000000000001 109.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 68.1 m -61.06 -14.52 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 64.120000000000005 109.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 505' ' ' SER . 3.1 m-20 -78.02 -35.1 50.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.626 1.204 . . . . 62.140000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.757 ' HA ' HD12 ' A' ' 506' ' ' LEU . 7.5 m -43.23 -55.32 4.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 60.020000000000003 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.97 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 71.400000000000006 109.204 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 502' ' ' ASP . 23.1 t -84.23 -26.57 28.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 110.001 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 503' ' ' THR . 94.8 mt -62.62 -41.09 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -117.57 22.76 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 74.5 109.324 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -59.4 -32.91 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 73.030000000000001 109.981 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.08 -27.05 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.968 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 50.7 mt -69.55 165.65 20.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 64.150000000000006 109.345 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 73.0 t -83.75 87.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 32.450000000000003 109.296 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.424 ' CZ ' ' OD2' ' A' ' 514' ' ' ASP . 1.2 tmm_? -52.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 110.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.727 HD22 ' CG2' ' A' ' 487' ' ' ILE . 4.9 tp -73.24 131.67 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 75.319999999999993 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -120.33 167.85 11.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 515' ' ' GLU . 10.1 tp10 -123.72 8.54 8.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 72.040000000000006 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.84 10.66 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 75.140000000000001 109.581 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.9 t -93.06 146.9 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 73.25 109.955 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -85.59 -6.09 59.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.71 -26.81 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 109.375 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.67 -34.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.240000000000002 110.947 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.72 81.1 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 73.230000000000004 109.27 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.4 mpt_? -73.8 -20.72 60.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 73.299999999999997 110.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.772 ' HD3' HD11 ' A' ' 519' ' ' ILE . 12.2 mmmt -74.08 -47.2 38.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 74.219999999999999 109.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 1.065 HG11 HD13 ' A' ' 419' ' ' LEU . 2.5 p -74.08 -35.11 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.530000000000001 109.285 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.61 43.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 70.129999999999995 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 2.1 m-20 -95.63 -47.22 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 6.3 t -80.51 -51.42 8.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 73.450000000000003 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.1 m-85 -93.78 65.06 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.399 1.062 . . . . 74.430000000000007 111.057 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.787 ' O ' HD23 ' A' ' 533' ' ' LEU . 0.1 OUTLIER -71.64 164.96 53.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.323 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.59 5.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.4 1.737 . . . . 50.020000000000003 111.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.595 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 6.9 p80 -76.98 -23.0 52.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.530000000000001 109.524 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 532' ' ' ARG . 6.4 mmt180 -92.99 -13.52 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 64.409999999999997 110.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 529' ' ' LYS . 2.5 mm? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.310000000000002 109.342 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' TYR . . . . . 0.478 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 3.2 m-85 . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 120.597 0.237 . . . . 75.409999999999997 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' ASN . . . . . 0.653 ' OD1' HD13 ' A' ' 533' ' ' LEU . 2.4 t30 -113.27 -13.55 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.549999999999997 109.277 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' PHE . . . . . 0.796 ' CD2' HD12 ' A' ' 453' ' ' ILE . 23.7 p90 -164.18 130.38 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.969 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' VAL . . . . . 0.859 ' CG1' HG23 ' A' ' 452' ' ' ILE . 9.8 p -98.87 115.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 73.230000000000004 109.288 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 92.9 mt -85.61 100.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 74.549999999999997 109.189 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' LEU . . . . . 0.436 ' O ' ' CB ' ' A' ' 455' ' ' LEU . 0.2 OUTLIER -76.74 122.63 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 61.219999999999999 109.275 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.1 p80 -149.55 -176.51 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.498 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -82.79 -159.47 0.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.346 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.7 -16.58 18.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.019999999999996 110.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.88 16.8 23.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.17 26.84 8.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 55.219999999999999 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' GLU . . . . . 0.478 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.1 tt0 -61.87 -77.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 110.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.6 p-80 -39.72 -40.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 62.530000000000001 109.569 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' ILE . . . . . 0.47 HG13 ' CE1' ' A' ' 407' ' ' HIS . 81.7 mt -55.54 -51.13 61.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 71.030000000000001 109.316 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.52 -50.04 64.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.74 -13.56 34.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 65.129999999999995 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 407' ' ' HIS . 0.7 OUTLIER -84.96 -15.86 42.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 53.140000000000001 110.247 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 413' ' ' ARG . 4.2 t -96.38 -51.53 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.457 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.8 mtm180 -36.34 -40.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 72.430000000000007 110.323 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 415' ' ' LYS . 54.6 mt-10 -72.84 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -48.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 71.349999999999994 109.226 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' LEU . . . . . 0.903 ' HB3' HG13 ' A' ' 421' ' ' VAL . 88.4 mt -46.9 -60.17 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -38.68 -29.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 72.25 110.32 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -65.18 -53.65 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' LEU . . . . . 0.919 HD13 HG11 ' A' ' 524' ' ' VAL . 0.9 OUTLIER -68.51 -46.18 70.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 109.264 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 170.42 -70.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.32 137.19 1.02 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 73.120000000000005 109.346 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.02 -163.32 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.761 . . . . 74.450000000000003 110.976 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' ASP . . . . . 0.52 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 2.2 p-10 -62.04 -43.11 99.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 52.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.25 -96.99 1.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.435 1.084 . . . . 62.350000000000001 110.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.28 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.572 0.807 . . . . 74.439999999999998 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.7 p -152.03 158.75 43.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 70.5 110.394 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' PHE . . . . . . . . . . . . . 13.7 t80 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 75.310000000000002 110.969 179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLN . . . . . 0.575 ' HB2' ' HB1' ' A' ' 472' ' ' ALA . 30.2 tt0 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.26 -0.274 . . . . 74.450000000000003 110.26 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 75.420000000000002 109.23 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' ALA . . . . . 0.814 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -76.46 -28.38 56.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 109.327 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' ILE . . . . . 0.716 HD11 HG23 ' A' ' 469' ' ' VAL . 6.9 mt -53.81 -33.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 109.294 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.78 -56.95 2.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 75.5 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -55.71 -50.21 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 72.010000000000005 109.601 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' SER . . . . . 0.646 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 1.1 m -84.88 137.01 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 51.210000000000001 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 396' ' ' ASN . . . -49.97 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 73.510000000000005 109.264 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' PHE . . . . . 0.576 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.9 m-85 -116.09 129.73 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 110.923 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' ILE . . . . . 0.859 HG23 ' CG1' ' A' ' 398' ' ' VAL . 19.8 mm -75.52 131.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.563 1.164 . . . . 75.030000000000001 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' ILE . . . . . 0.796 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.4 mt -105.8 116.81 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 486' ' ' VAL . 1.8 mp -95.52 109.88 22.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.362 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 457' ' ' THR . 8.3 tp -79.01 79.44 5.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' LEU . . . . . 0.773 HD12 HD22 ' A' ' 507' ' ' LEU . 3.9 mt -67.18 93.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.019999999999996 109.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 455' ' ' LEU . 15.8 p -128.57 153.85 46.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.340000000000003 110.405 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.4 p -59.23 -16.26 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.626 1.204 . . . . 65.329999999999998 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.3 m-20 -94.14 -18.97 21.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.361 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 46.7 t80 -111.0 160.45 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.540000000000006 111.044 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 11.1 t70 -106.41 131.07 54.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 71.430000000000007 109.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.94 -53.97 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 108.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -38.83 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 110.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 466' ' ' LEU . 1.5 tm? -72.88 -75.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 65.439999999999998 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 469' ' ' VAL . 1.5 p -38.62 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 72.340000000000003 109.966 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 464' ' ' LEU . 7.0 tt -73.05 -56.57 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.4 OUTLIER -52.85 -40.37 63.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 109.608 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 9.1 mt-30 -70.28 -74.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.214 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' VAL . . . . . 0.716 HG23 HD11 ' A' ' 446' ' ' ILE . 7.2 p -40.18 -32.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.219999999999999 109.214 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 0.9 OUTLIER -63.98 -70.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 73.319999999999993 109.227 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' GLN . . . . . 0.619 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 35.3 mm-40 -48.84 -52.01 26.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 52.020000000000003 110.304 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 443' ' ' GLN . . . -50.95 -55.46 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.306 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' MET . . . . . 0.57 ' HE3' HG22 ' A' ' 486' ' ' VAL . 22.1 mtt -47.48 -71.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 65.099999999999994 111.032 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' MET . . . . . 0.716 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -57.42 -15.87 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 62.43 111.066 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 27.5 t -85.57 -24.52 27.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.569 1.168 . . . . 62.020000000000003 109.933 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 43.7 t30 -137.56 77.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 70.25 109.256 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -101.56 -21.71 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.509999999999998 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 5.9 t -72.2 -3.79 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 73.329999999999998 110.477 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 18.3 mmt-85 -101.21 -73.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 73.420000000000002 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -116.7 -35.01 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.200000000000003 110.259 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 38.49 58.07 1.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 71.530000000000001 111.048 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.09 94.44 43.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 73.519999999999996 110.084 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.87 0.18 9.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 62.030000000000001 111.044 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.91 15.15 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 65.200000000000003 109.224 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 4.7 m -93.9 20.99 7.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 61.130000000000003 108.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' VAL . . . . . 0.953 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.2 t -105.87 114.05 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.239999999999995 109.289 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.495 ' CG2' HD22 ' A' ' 513' ' ' LEU . 3.0 mm -115.61 95.12 42.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 65.239999999999995 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 97.54 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 74.319999999999993 111.012 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' PHE . . . . . 0.671 ' CD2' HD23 ' A' ' 513' ' ' LEU . 6.5 t80 -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 111.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' LEU . . . . . 0.557 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.4 tm? -152.44 103.92 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.450000000000003 109.274 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' PRO . . . . . 0.557 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.413 1.744 . . . . 75.420000000000002 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' LEU . . . . . 0.662 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.4 mp -78.07 -25.18 47.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 71.230000000000004 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.32 -36.23 83.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 52.399999999999999 110.371 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' SER . . . . . 0.439 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 23.1 m -120.5 170.95 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 72.010000000000005 110.025 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' SER . . . . . 0.414 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.6 OUTLIER -147.35 166.49 15.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.401 1.063 . . . . 72.230000000000004 109.996 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' PRO . . . . . 0.493 ' HB3' HH21 ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.01 -31.72 5.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 73.420000000000002 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.38 67.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 63.450000000000003 109.272 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -79.6 -12.81 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 72.409999999999997 110.237 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' LEU . . . . . 0.84 HD13 HG21 ' A' ' 503' ' ' THR . 12.0 mt -90.25 -174.76 4.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 74.219999999999999 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 501' ' ' SER . 3.0 t -80.85 173.24 12.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.046 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' SER . . . . . 0.402 ' N ' ' OG ' ' A' ' 500' ' ' SER . 8.4 t -79.91 -6.57 57.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 70.319999999999993 109.976 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 505' ' ' SER . 7.8 m-20 -97.21 -39.36 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 53.409999999999997 109.34 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' THR . . . . . 0.867 ' HA ' HD12 ' A' ' 506' ' ' LEU . 3.2 m -44.38 -26.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.164 . . . . 70.219999999999999 110.444 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.07 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 109.374 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.8 m -77.95 -10.64 59.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 110.038 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 63.1 mt -79.7 -27.71 40.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 51.240000000000002 109.251 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 456' ' ' LEU . 3.3 pp -111.14 -14.39 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.109999999999999 109.324 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 89.5 p -50.73 105.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.109999999999999 109.999 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 134.55 -23.69 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 71.409999999999997 110.98 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' LEU . . . . . 0.953 HD13 ' HB ' ' A' ' 486' ' ' VAL . 10.6 mt -104.62 136.93 43.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 72.439999999999998 109.26 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.5 t -53.42 108.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 64.340000000000003 109.34 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' ARG . . . . . 0.493 HH21 ' HB3' ' A' ' 496' ' ' PRO . 0.0 OUTLIER -70.45 134.37 47.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' LEU . . . . . 0.671 HD23 ' CD2' ' A' ' 489' ' ' PHE . 3.8 tp -104.84 149.49 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 61.43 109.372 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.0 t0 -145.32 167.72 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 60.020000000000003 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -112.26 -33.99 6.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 110.211 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' HIS . . . . . 0.45 ' CD2' ' OD2' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -95.83 29.4 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 75.030000000000001 109.549 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.1 t -105.61 156.99 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 73.329999999999998 110.004 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -102.88 -7.48 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 519' ' ' ILE . . . . . 0.786 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 71.409999999999997 109.302 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 520' ' ' PHE . . . . . 0.559 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.2 t80 -39.48 -35.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 75.340000000000003 111.045 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 62.350000000000001 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 522' ' ' ARG . . . . . 0.724 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -73.75 -19.18 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.430000000000007 110.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 523' ' ' LYS . . . . . 0.786 ' HD3' HD11 ' A' ' 519' ' ' ILE . 9.1 mmmt -77.06 -39.18 50.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 73.239999999999995 109.378 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 524' ' ' VAL . . . . . 0.919 HG11 HD13 ' A' ' 419' ' ' LEU . 0.5 OUTLIER -79.5 -46.64 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.340000000000003 109.319 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 525' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -64.48 -11.7 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 44.219999999999999 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -89.59 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.259 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 527' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 528' ' ' PHE . 7.7 t -74.99 -54.84 6.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 110.415 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 32.8 m-85 -86.31 46.35 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 73.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 529' ' ' LYS . . . . . 0.614 ' O ' HD23 ' A' ' 533' ' ' LEU . 46.7 mttt -45.69 152.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 65.540000000000006 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 71.129999999999995 110.945 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 531' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -54.51 -19.66 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.135 . . . . 74.340000000000003 109.545 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -87.95 -37.47 16.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 74.019999999999996 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 533' ' ' LEU . . . . . 0.653 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.382 1.051 . . . . 63.210000000000001 109.28 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 3.0 mtt . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.547 0.213 . . . . 65.319999999999993 110.922 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -169.62 134.57 1.42 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.408 1.067 . . . . 71.150000000000006 110.318 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 88.1 p -98.45 99.38 10.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 64.219999999999999 109.993 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 31.0 p 41.37 46.32 2.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.383 1.052 . . . . 73.5 109.949 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 30.5 t -72.18 146.48 47.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.996 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -63.1 -178.32 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 74.099999999999994 110.287 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -83.42 115.27 21.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 72.510000000000005 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -117.13 134.97 54.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 55.310000000000002 109.284 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -158.01 141.78 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.374 1.046 . . . . 60.299999999999997 111.025 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 2.2 m-85 -102.15 169.24 8.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 65.340000000000003 111.034 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.981 ' OD1' HD13 ' A' ' 533' ' ' LEU . 14.8 m-80 -112.3 -14.29 13.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 74.219999999999999 109.332 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.843 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.0 p90 -164.69 153.12 12.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 110.997 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.953 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -109.67 115.51 49.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 71.030000000000001 109.262 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.702 HD11 ' HE2' ' A' ' 397' ' ' PHE . 54.0 mt -86.6 96.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 70.230000000000004 109.262 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.708 HD21 ' CD2' ' A' ' 427' ' ' PHE . 5.9 mt -80.74 118.68 22.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 63.549999999999997 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.622 ' CB ' HD23 ' A' ' 455' ' ' LEU . 11.2 p80 -155.0 158.24 38.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 64.099999999999994 109.589 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.616 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -56.97 -165.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 71.329999999999998 109.25 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -9.12 23.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 74.109999999999999 110.237 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.6 16.85 23.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 62.219999999999999 109.348 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.616 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -127.05 35.99 4.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 72.340000000000003 109.281 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 31.9 tt0 -66.43 -76.63 0.08 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 65.409999999999997 110.364 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 11.5 p-80 -38.19 -35.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.230000000000004 109.619 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.507 HD12 ' HB3' ' A' ' 405' ' ' ASP . 47.9 mt -58.27 -54.95 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.219999999999999 109.297 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.563 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -65.45 -46.62 79.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.296 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.549 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -57.06 -25.54 58.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 74.450000000000003 109.297 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 31.1 mtp85 -80.91 -21.35 40.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 74.230000000000004 110.356 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.556 ' CG2' ' CE2' ' A' ' 489' ' ' PHE . 4.8 t -84.29 -52.53 12.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.411 1.069 . . . . 74.409999999999997 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.476 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.7 mtm180 -38.2 -51.47 1.46 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 64.430000000000007 110.352 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 67.4 mt-10 -67.12 -51.9 48.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 75.209999999999994 110.351 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.523 ' HZ2' ' HA ' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -50.06 -27.03 4.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.083 . . . . 74.530000000000001 109.346 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.803 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -76.99 -33.8 57.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 62.340000000000003 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.443 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 4.9 mt-10 -76.19 -8.12 56.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 70.349999999999994 110.266 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -90.75 -9.35 46.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 63.299999999999997 109.268 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.612 HD13 HG11 ' A' ' 524' ' ' VAL . 0.8 OUTLIER -116.37 -44.96 2.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 73.010000000000005 109.316 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.14 -76.29 0.07 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.479 1.112 . . . . 55.399999999999999 110.995 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.803 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -40.36 138.04 1.23 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.446 0.733 . . . . 74.219999999999999 109.363 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.95 -166.35 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.529 1.805 . . . . 64.329999999999998 111.048 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.441 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.9 p-10 -59.11 -44.46 91.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 71.109999999999999 109.292 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.02 -92.79 1.05 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.149 . . . . 43.350000000000001 110.997 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.46 -175.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 0.76 . . . . 70.209999999999994 109.249 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.477 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.9 p -152.12 120.17 6.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 72.109999999999999 110.35 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.708 ' CD2' HD21 ' A' ' 400' ' ' LEU . 1.9 t80 -92.11 115.75 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 74.430000000000007 110.993 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 41.0 t -124.82 137.5 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 60.530000000000001 108.244 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -93.78 122.73 36.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 71.329999999999998 110.294 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.2 OUTLIER -118.49 132.81 56.22 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 63.240000000000002 109.369 179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -85.44 2.45 44.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 62.329999999999998 111.03 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -78.81 -37.67 40.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 61.329999999999998 110.284 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 11.3 m -84.61 178.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 63.539999999999999 109.398 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.607 ' CE1' ' CA ' ' A' ' 437' ' ' GLY . 5.9 p80 -71.36 -29.99 65.63 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 61.200000000000003 109.623 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 134.99 -64.07 0.59 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.401 1.063 . . . . 71.099999999999994 110.992 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 32.5 mmm-85 -93.03 42.62 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.773 . . . . 75.319999999999993 110.283 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . 0.607 ' CA ' ' CE1' ' A' ' 434' ' ' HIS . . . -114.38 1.47 23.7 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.6 1.188 . . . . 71.510000000000005 111.103 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -105.52 -70.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 72.409999999999997 110.31 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.734 HD12 ' C ' ' A' ' 439' ' ' LEU . 1.2 pp -126.54 175.51 7.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 61.109999999999999 109.31 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.507 ' N ' HD12 ' A' ' 439' ' ' LEU . 12.6 t -66.94 -72.6 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.614 1.196 . . . . 73.099999999999994 110.009 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.55 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 1.7 m -157.6 -178.07 7.06 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 63.32 108.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.835 HD11 ' HA ' ' A' ' 469' ' ' VAL . 0.1 OUTLIER -82.94 -33.98 26.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 65.310000000000002 109.341 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.593 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 6.7 pt20 -73.39 -5.62 40.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 75.030000000000001 110.339 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -73.57 -48.24 34.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 72.030000000000001 109.264 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.683 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -67.04 -14.66 63.11 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 72.109999999999999 109.234 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.629 HD12 ' CB ' ' A' ' 472' ' ' ALA . 7.2 mt -79.93 -31.69 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 71.329999999999998 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -103.96 -12.02 17.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.624 1.202 . . . . 73.219999999999999 109.249 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 444' ' ' ASP . 5.9 m-70 -106.42 -55.92 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 109.579 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.6 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 0.8 OUTLIER -79.94 143.03 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 72.019999999999996 110.003 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.496 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -53.26 -76.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 71.230000000000004 109.273 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.575 ' CD2' ' SG ' ' A' ' 485' ' ' CYS . 3.0 m-85 -121.71 130.53 53.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 74.040000000000006 111.043 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.953 HG23 HG12 ' A' ' 398' ' ' VAL . 26.0 mm -71.52 130.23 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.063 . . . . 72.540000000000006 109.222 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.843 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.8 mt -106.34 112.74 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 65.230000000000004 109.27 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.593 ' CD1' HG22 ' A' ' 452' ' ' ILE . 1.1 mp -95.41 107.55 19.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 71.219999999999999 109.396 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.67 ' O ' HG23 ' A' ' 457' ' ' THR . 7.2 tp -73.93 79.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 63.340000000000003 109.303 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 456' ' ' LEU . 5.6 mt -66.03 91.63 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 74.150000000000006 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.67 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.9 p -129.74 149.94 51.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 65.519999999999996 110.381 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.416 ' OG ' ' CB ' ' A' ' 498' ' ' GLN . 0.4 OUTLIER -57.04 -17.57 10.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.014 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.585 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 6.7 m-20 -91.94 -22.84 19.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 73.299999999999997 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 48.6 t80 -104.37 165.25 11.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.118 . . . . 73.420000000000002 110.959 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.599 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -106.62 124.15 49.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 55.100000000000001 109.259 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.4 m -92.2 -52.41 4.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 64.019999999999996 108.264 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 24.7 mtp180 -38.87 -59.91 0.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 54.25 110.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.712 HD13 ' C ' ' A' ' 464' ' ' LEU . 1.5 tm? -51.71 -61.49 2.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 75.25 109.331 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 464' ' ' LEU . 0.2 OUTLIER -39.29 -45.73 1.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.473 1.108 . . . . 73.219999999999999 109.975 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.438 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -59.84 -48.37 81.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 72.439999999999998 109.272 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 21.5 m-70 -56.86 -56.1 25.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 72.129999999999995 109.525 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.652 ' NE2' HD11 ' A' ' 464' ' ' LEU . 27.7 mt-30 -57.32 -69.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.835 ' HA ' HD11 ' A' ' 442' ' ' LEU . 0.6 OUTLIER -39.75 -45.47 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 74.450000000000003 109.328 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.438 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 1.1 m-80 -56.55 -69.01 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 73.340000000000003 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.492 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.1 mm100 -40.67 -45.94 2.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 74.420000000000002 110.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.629 ' CB ' HD12 ' A' ' 446' ' ' ILE . . . -57.23 -46.09 83.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 50.420000000000002 109.196 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.527 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 32.7 mtt -64.64 -57.96 7.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -8.44 32.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.087 . . . . 61.310000000000002 110.997 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.4 t -78.01 -53.08 7.82 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 75.450000000000003 109.981 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.715 ' ND2' HE22 ' A' ' 480' ' ' GLN . 15.2 p-10 -133.08 94.66 3.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 63.200000000000003 109.346 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 473' ' ' MET . 10.0 mt -92.87 -37.23 12.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 74.349999999999994 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.4 t -56.56 -17.21 7.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 71.310000000000002 110.395 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -76.6 -78.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.408 1.068 . . . . 73.230000000000004 110.326 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.715 HE22 ' ND2' ' A' ' 476' ' ' ASN . 2.3 pm0 -111.51 -23.36 10.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.547 1.155 . . . . 74.430000000000007 110.405 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 38.4 43.8 1.57 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.416 1.072 . . . . 42.310000000000002 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.65 81.1 14.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.505 0.768 . . . . 62.200000000000003 110.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.462 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.99 0.28 9.09 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.483 1.781 . . . . 70.019999999999996 111.022 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -115.12 34.1 5.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 50.520000000000003 109.279 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.575 ' SG ' ' CD2' ' A' ' 451' ' ' PHE . 0.5 OUTLIER -106.49 20.38 19.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 45.439999999999998 108.31 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.939 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.9 t -92.5 152.14 3.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 62.130000000000003 109.211 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.939 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.1 mm -140.01 95.47 8.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 73.209999999999994 109.35 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 94.07 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.512 1.796 . . . . 53.240000000000002 110.989 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.697 ' HD1' HD23 ' A' ' 513' ' ' LEU . 8.2 t80 -80.76 146.95 30.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.519999999999996 111.044 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.557 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.3 tm? -133.44 103.6 12.42 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.530000000000001 109.319 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 173.45 14.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.476 1.777 . . . . 74.450000000000003 110.985 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.8 mp -76.38 -30.18 57.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 73.310000000000002 109.222 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.485 ' HB2' HD13 ' A' ' 408' ' ' ILE . 3.5 mm-40 -58.89 -36.6 74.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 74.439999999999998 110.354 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 5.3 m -120.53 175.67 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 71.140000000000001 109.925 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.557 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.6 166.13 17.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 43.240000000000002 110.032 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -33.58 4.47 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.485 1.781 . . . . 73.219999999999999 110.994 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.06 -25.72 67.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 72.310000000000002 109.315 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.416 ' CB ' ' OG ' ' A' ' 458' ' ' SER . 2.0 mt-30 -75.97 -8.46 57.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.34 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.609 HD12 HG21 ' A' ' 503' ' ' THR . 9.1 mt -97.66 161.92 13.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 109.377 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.3 m -61.45 162.11 8.5 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.587 1.18 . . . . 33.219999999999999 110.024 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 34.2 t -70.55 -6.53 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 75.140000000000001 110.078 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 505' ' ' SER . 83.2 m-20 -83.54 -36.13 24.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 65.010000000000005 109.193 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.895 HG22 ' CD2' ' A' ' 507' ' ' LEU . 67.9 m -42.51 -47.59 5.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 70.140000000000001 110.356 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -48.28 -42.18 30.06 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 62.140000000000001 109.275 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' ' 502' ' ' ASP . 43.4 t -78.71 -25.38 44.66 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 43.119999999999997 110.035 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' A' ' 503' ' ' THR . 59.6 mt -69.44 -34.26 74.15 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.464 1.103 . . . . 74.200000000000003 109.233 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.895 ' CD2' HG22 ' A' ' 503' ' ' THR . 0.4 OUTLIER -111.19 20.82 17.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 63.530000000000001 109.335 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.09 60.84 2.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 74.319999999999993 109.935 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 173.05 -38.45 0.15 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.568 1.168 . . . . 72.120000000000005 111.008 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 486' ' ' VAL . 13.2 mt -72.55 -179.65 3.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.766 . . . . 73.540000000000006 109.342 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 70.4 t -104.66 99.46 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.394 1.059 . . . . 60.200000000000003 109.26 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.416 ' NH2' ' OD2' ' A' ' 514' ' ' ASP . 2.4 tmm_? -52.04 113.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 74.319999999999993 110.371 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.697 HD23 ' HD1' ' A' ' 489' ' ' PHE . 9.0 tp -98.84 129.05 45.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 73.519999999999996 109.336 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.542 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 13.0 m-20 -116.01 167.48 10.93 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.487 1.117 . . . . 71.439999999999998 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.423 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 5.2 tp10 -122.23 5.12 9.74 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.522 1.139 . . . . 72.400000000000006 110.342 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.6 9.12 5.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.417 1.073 . . . . 65.109999999999999 109.601 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -97.38 139.2 33.68 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.581 1.175 . . . . 73.409999999999997 110.021 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . 0.407 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.2 pp0? -78.93 2.51 19.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.323 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.752 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.58 -27.47 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.492 1.12 . . . . 65.400000000000006 109.253 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.542 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.0 t80 -40.01 -34.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 55.530000000000001 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.41 80.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.581 1.175 . . . . 34.539999999999999 109.315 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.22 -20.4 60.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.356 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.752 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.7 mmmt -73.65 -47.43 39.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 63.32 109.311 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.612 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -71.52 -45.5 67.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 74.140000000000001 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -66.51 -10.64 46.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 63.32 109.334 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.5 m-20 -87.91 -55.83 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 53.200000000000003 109.323 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.513 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -77.44 -54.05 6.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 62.409999999999997 110.359 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 58.4 m-85 -88.19 55.2 3.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 64.219999999999999 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.504 ' O ' HD23 ' A' ' 533' ' ' LEU . 47.9 mttt -60.66 159.91 22.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 72.209999999999994 109.295 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . 0.446 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.3 Cg_endo -74.88 -31.62 6.27 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.457 1.767 . . . . 73.209999999999994 111.056 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.48 ' NE2' ' NE ' ' A' ' 532' ' ' ARG . 3.6 p-80 -75.65 -13.9 60.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 74.400000000000006 109.56 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.48 ' NE ' ' NE2' ' A' ' 531' ' ' HIS . 25.3 mmt180 -98.16 -42.56 7.38 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.098 . . . . 63.149999999999999 110.383 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.981 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER -56.3 -29.74 61.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 71.140000000000001 109.36 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 7.1 mt-30 -91.85 -50.54 5.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 41.299999999999997 110.341 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -62.05 -16.09 49.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.106 . . . . 74.439999999999998 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.47 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 15.2 tpt180 -90.99 -28.06 18.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.409 1.068 . . . . 72.510000000000005 110.306 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 8.3 pttp -97.59 -10.61 24.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.27 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.477 ' HA ' ' CD ' ' A' ' 541' ' ' ARG . . . -60.31 -15.92 29.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 73.109999999999999 109.322 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.419 ' CE ' ' HD2' ' A' ' 536' ' ' ARG . 76.6 mtm -85.79 -20.09 29.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.986 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -94.98 -41.01 9.37 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.01 -1.107 . . . . 73.140000000000001 108.01 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 538' ' ' ALA . 31.9 ptt180 -58.05 -22.57 50.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 70.140000000000001 110.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -42.26 -29.79 0.27 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.475 1.109 . . . . 72.349999999999994 109.222 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 541' ' ' ARG . 56.7 mt-10 -60.92 -47.81 84.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.572 1.17 . . . . 72.140000000000001 110.342 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 541' ' ' ARG . 72.3 mm-40 -78.01 -43.11 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 72.040000000000006 110.276 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 4.6 t70 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.479 1.112 . . . . 65.319999999999993 109.309 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 12.3 mtt . . . . . 0 N--CA 1.452 -0.357 0 CA-C-O 120.481 0.181 . . . . 73.120000000000005 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -64.87 132.58 49.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 70.340000000000003 110.311 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 27.7 t -123.76 17.15 9.48 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.576 1.173 . . . . 62.130000000000003 109.972 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 16.6 m -133.39 19.35 3.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 71.519999999999996 110.007 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.7 t 41.24 41.1 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 73.329999999999998 109.978 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -85.78 179.62 7.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 63.329999999999998 110.318 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -106.23 140.95 38.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.08 . . . . 75.129999999999995 110.293 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? -105.56 128.55 53.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 109.34 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -158.16 159.46 36.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 62.140000000000001 111.017 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 15.7 m-30 -103.19 135.98 43.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 75.420000000000002 110.985 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.475 ' OD1' ' CD1' ' A' ' 533' ' ' LEU . 1.7 m-80 -112.39 -14.37 13.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 74.329999999999998 109.351 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.816 ' CD2' HD12 ' A' ' 453' ' ' ILE . 11.0 p90 -170.7 136.05 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 111.099 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.815 HG12 HG23 ' A' ' 452' ' ' ILE . 3.9 p -100.01 105.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 65.120000000000005 109.261 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.764 HD11 ' HE2' ' A' ' 397' ' ' PHE . 22.3 mt -77.28 96.7 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.137 . . . . 74.010000000000005 109.26 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 401' ' ' HIS . 0.7 OUTLIER -78.24 110.2 13.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.417 1.073 . . . . 62.219999999999999 109.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.562 ' N ' HD12 ' A' ' 400' ' ' LEU . 19.7 p80 -144.82 174.2 11.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.450000000000003 109.587 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.476 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -67.59 -167.18 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 62.119999999999997 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.433 ' HD2' ' N ' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -99.48 -11.23 21.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.456 1.097 . . . . 62.109999999999999 110.33 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.433 ' N ' ' HD2' ' A' ' 403' ' ' ARG . . . -104.3 16.88 25.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 74.129999999999995 109.278 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.698 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.88 26.98 6.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.109999999999999 109.281 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.552 ' HG3' HD13 ' A' ' 410' ' ' LEU . 23.2 tt0 -61.4 -75.73 0.06 Allowed 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.394 1.059 . . . . 61.420000000000002 110.353 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 17.6 p-80 -41.91 -33.23 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.596 1.185 . . . . 75.420000000000002 109.657 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.698 HD12 ' CG ' ' A' ' 405' ' ' ASP . 47.1 mt -62.24 -50.2 80.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 74.030000000000001 109.307 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -71.27 -59.35 2.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 72.340000000000003 109.255 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.552 HD13 ' HG3' ' A' ' 406' ' ' GLU . 8.2 mp -48.29 -24.39 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 64.409999999999997 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 0.0 OUTLIER -75.99 -36.5 59.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 72.040000000000006 110.256 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.726 HG21 ' CE2' ' A' ' 489' ' ' PHE . 2.6 t -74.79 -52.32 19.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 O-C-N 124.45 1.093 . . . . 35.039999999999999 109.345 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.464 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 11.2 mtm180 -35.6 -45.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.313 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 70.5 mt-10 -69.6 -61.44 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 73.420000000000002 110.32 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.88 -52.45 1.75 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.501 1.126 . . . . 65.349999999999994 109.314 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.932 ' HB3' HG13 ' A' ' 421' ' ' VAL . 94.5 mt -42.17 -57.52 2.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.416 1.073 . . . . 53.340000000000003 109.284 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 416' ' ' LEU . 8.9 mt-10 -36.61 -40.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 75.420000000000002 110.232 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -54.95 -53.59 53.66 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.561 1.163 . . . . 72.450000000000003 109.317 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.0 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -66.9 -45.86 76.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 75.340000000000003 109.273 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.08 -70.68 0.17 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.448 1.092 . . . . 55.039999999999999 111.008 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.932 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.49 137.24 1.06 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.602 0.825 . . . . 72.510000000000005 109.277 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.12 -166.15 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.389 1.731 . . . . 51.240000000000002 110.936 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.513 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -57.35 -45.02 84.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 72.430000000000007 109.23 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.39 -95.67 1.69 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.496 1.122 . . . . 71.310000000000002 110.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.38 -173.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 74.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 11.2 p -151.68 145.2 24.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.474 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.863 ' CE1' HD21 ' A' ' 439' ' ' LEU . 8.7 t80 -107.22 163.75 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 62.149999999999999 111.064 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 1.8 p -136.47 154.38 50.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 73.140000000000001 108.373 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -47.11 170.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 74.420000000000002 110.242 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 430' ' ' ASP . 0.1 OUTLIER -105.59 11.52 32.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 55.420000000000002 109.392 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . 0.468 ' O ' ' CG ' ' A' ' 431' ' ' PHE . 25.9 t80 -110.65 21.75 16.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 111.082 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -108.57 -20.13 13.2 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 64.340000000000003 110.302 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.698 HG11 ' HG3' ' A' ' 438' ' ' GLU . 2.0 m -106.52 174.14 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 75.319999999999993 109.246 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -57.78 -45.42 86.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 72.239999999999995 109.586 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 433' ' ' VAL . . . -152.9 -123.63 0.98 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.498 1.124 . . . . 62.020000000000003 110.937 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.04 30.82 4.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 0.759 . . . . 74.230000000000004 110.302 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -96.43 26.6 20.84 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.443 1.09 . . . . 24.510000000000002 110.958 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.698 ' HG3' HG11 ' A' ' 433' ' ' VAL . 22.1 mm-40 -99.71 -71.35 0.7 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 0.727 . . . . 54.409999999999997 110.351 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.863 HD21 ' CE1' ' A' ' 427' ' ' PHE . 0.8 OUTLIER -122.44 158.55 29.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 60.240000000000002 109.268 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 49.6 m -44.97 -73.43 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.61 1.194 . . . . 74.439999999999998 110.004 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.597 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.6 p -175.74 173.33 2.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 73.430000000000007 108.317 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 442' ' ' LEU . 0.0 OUTLIER -68.07 -35.45 78.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 73.200000000000003 109.265 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.52 ' CB ' ' HB1' ' A' ' 472' ' ' ALA . 0.9 OUTLIER -64.21 -11.93 35.78 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.171 . . . . 73.25 110.351 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -63.1 -20.54 65.46 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 74.129999999999995 109.253 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.532 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -88.26 -29.44 20.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 73.209999999999994 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.504 ' N ' HD11 ' A' ' 452' ' ' ILE . 2.5 mt -60.6 -22.73 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 109.287 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.85 -56.49 2.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 1.079 . . . . 75.120000000000005 109.333 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -65.55 -55.69 16.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 73.120000000000005 109.634 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.433 ' N ' ' O ' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -77.34 160.64 28.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 74.409999999999997 110.044 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.477 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -74.65 -77.76 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 70.129999999999995 109.25 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 2.2 m-85 -118.43 129.06 55.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 64.129999999999995 110.955 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.815 HG23 HG12 ' A' ' 398' ' ' VAL . 14.3 mm -71.1 135.87 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.177 . . . . 45.210000000000001 109.283 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.816 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.4 mt -110.79 120.99 62.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 63.219999999999999 109.331 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.844 HD13 ' HB3' ' A' ' 465' ' ' SER . 3.5 mt -100.96 106.85 18.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.598 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -73.57 79.6 1.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 71.349999999999994 109.361 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.4 mt -68.13 92.04 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 55.25 109.276 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 455' ' ' LEU . 17.3 p -127.22 158.4 37.23 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.143 . . . . 62.310000000000002 110.435 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 p -64.25 -12.15 38.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 70.349999999999994 110.026 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -95.0 -11.32 28.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 64.239999999999995 109.272 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.601 ' CZ ' ' O ' ' A' ' 461' ' ' ASP . 55.1 t80 -124.7 171.44 10.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 110.929 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.601 ' O ' ' CZ ' ' A' ' 460' ' ' PHE . 29.8 p30 -120.14 126.23 50.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 74.25 109.233 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.689 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.0 p -83.15 -42.34 17.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 63.530000000000001 108.323 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -38.89 -30.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 75.319999999999993 110.31 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.603 HD11 ' OE1' ' A' ' 468' ' ' GLN . 1.7 tm? -82.18 -54.95 4.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 70.030000000000001 109.304 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.844 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.75 -59.58 3.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 70.349999999999994 110.042 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.662 HD13 ' O ' ' A' ' 466' ' ' LEU . 3.4 tm? -52.34 -21.83 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.396 1.06 . . . . 73.319999999999993 109.281 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.503 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 4.6 t60 -91.92 -25.72 18.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 75.010000000000005 109.591 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.603 ' OE1' HD11 ' A' ' 464' ' ' LEU . 48.2 mt-30 -86.21 -18.35 32.39 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.565 1.166 . . . . 74.329999999999998 110.197 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.693 HG22 ' CE ' ' A' ' 473' ' ' MET . 0.5 OUTLIER -90.95 -49.77 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 65.109999999999999 109.332 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.508 ' N ' ' CG1' ' A' ' 469' ' ' VAL . 1.9 m-80 -56.12 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 71.010000000000005 109.304 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.622 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.1 mm100 -40.58 -46.24 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 65.140000000000001 110.316 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 468' ' ' GLN . . . -51.84 -53.71 37.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.112 . . . . 63.409999999999997 109.27 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.693 ' CE ' HG22 ' A' ' 469' ' ' VAL . 8.4 mtt -53.01 -71.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.135 . . . . 74.239999999999995 110.965 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.807 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -53.08 -19.06 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 64.310000000000002 110.989 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.7 t -81.53 -30.83 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 61.020000000000003 109.963 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.526 ' ND2' HE22 ' A' ' 480' ' ' GLN . 47.7 t30 -137.76 90.63 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 44.539999999999999 109.326 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.807 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -112.75 -20.64 11.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 71.409999999999997 109.26 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.721 HG23 ' CD ' ' A' ' 479' ' ' ARG . 6.7 t -74.34 -1.51 21.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 54.32 110.473 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.721 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.4 OUTLIER -107.49 -72.8 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.543 1.152 . . . . 71.310000000000002 110.275 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.526 HE22 ' ND2' ' A' ' 476' ' ' ASN . 3.9 pm0 -116.49 -32.38 5.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.457 1.098 . . . . 73.019999999999996 110.306 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.486 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 36.8 53.39 1.47 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.488 1.118 . . . . 44.439999999999998 110.985 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.49 97.55 36.85 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.529 0.782 . . . . 71.329999999999998 109.986 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.85 0.92 8.23 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.558 1.82 . . . . 53.32 111.074 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.5 42.54 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 74.109999999999999 109.313 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.485 ' SG ' ' HE3' ' A' ' 473' ' ' MET . 30.3 p -120.27 41.42 3.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.402 1.064 . . . . 74.209999999999994 108.264 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.804 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.1 t -118.81 126.39 75.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 71.200000000000003 109.321 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.748 ' CG2' HD22 ' A' ' 513' ' ' LEU . 4.9 mm -133.04 93.05 23.82 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 71.310000000000002 109.222 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.481 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.05 95.34 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.45 1.763 . . . . 64.430000000000007 110.978 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.726 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.5 t80 -78.3 158.06 28.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.239999999999995 111.034 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.588 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.6 tm? -145.75 104.13 4.22 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 61.509999999999998 109.322 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.482 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.5 Cg_endo -74.9 171.89 17.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 63.25 111.024 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.643 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -76.19 -27.43 56.9 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.481 1.113 . . . . 71.230000000000004 109.361 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -61.97 -34.44 76.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 73.030000000000001 110.292 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.4 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 5.9 m -121.92 176.65 5.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 71.150000000000006 110.001 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.588 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.69 166.51 18.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 54.240000000000002 110.005 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.18 4.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.443 1.76 . . . . 74.329999999999998 111.0 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.48 -26.19 67.74 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -72.38 -11.86 60.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 43.329999999999998 110.255 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.748 HD12 HG21 ' A' ' 503' ' ' THR . 7.5 mt -92.66 164.84 13.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 72.239999999999995 109.268 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 58.3 m -66.84 167.44 11.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 72.510000000000005 109.956 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -72.76 -5.44 37.89 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 73.129999999999995 109.995 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.5 OUTLIER -85.25 -38.14 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.408 1.068 . . . . 71.010000000000005 109.269 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.853 ' HA ' HD12 ' A' ' 506' ' ' LEU . 54.3 m -42.13 -40.58 2.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 73.219999999999999 110.36 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -57.19 -45.76 83.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 109.266 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -75.74 -14.29 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 75.040000000000006 109.954 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 503' ' ' THR . 46.3 mt -83.17 -35.32 25.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.149 . . . . 53.539999999999999 109.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.779 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.5 pp -109.1 15.59 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 72.510000000000005 109.275 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 11.6 p -71.31 106.58 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.16 . . . . 71.120000000000005 110.003 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 118.62 -29.67 6.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.461 1.101 . . . . 75.129999999999995 111.018 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.804 HD13 ' HB ' ' A' ' 486' ' ' VAL . 22.5 mt -76.81 -174.96 3.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 0.75 . . . . 72.439999999999998 109.301 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 511' ' ' VAL . 12.0 t -113.29 94.77 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 73.319999999999993 109.286 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.474 ' CZ ' ' OD1' ' A' ' 514' ' ' ASP . 0.0 OUTLIER -53.42 112.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 74.439999999999998 110.298 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.748 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -87.63 134.48 33.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.292 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 12.3 m-20 -121.03 167.63 12.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 63.350000000000001 109.335 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' A' ' 412' ' ' VAL . 18.7 tt0 -122.07 5.5 9.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 75.450000000000003 110.286 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -131.25 12.07 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 70.25 109.513 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . 0.405 ' OG ' HG23 ' A' ' 519' ' ' ILE . 5.5 t -95.86 139.12 32.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 61.350000000000001 110.032 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -79.96 -4.77 53.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.439999999999998 110.301 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.26 -26.34 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.109999999999999 109.212 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.552 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.7 OUTLIER -40.0 -35.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.140000000000001 110.993 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.67 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.35 -47.27 75.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 71.299999999999997 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.719 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.9 -20.35 60.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 74.420000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 12.9 mmmt -74.05 -44.04 55.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.310000000000002 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 1.0 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.32 -39.34 41.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 72.450000000000003 109.299 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -73.87 -3.94 31.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 24.309999999999999 109.339 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -96.54 -38.48 9.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.579 1.175 . . . . 74.120000000000005 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -92.3 -53.99 4.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.44 1.087 . . . . 63.229999999999997 110.443 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.71 ' CE2' HD11 ' A' ' 453' ' ' ILE . 43.1 m-85 -85.99 44.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 53.310000000000002 111.028 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.2 mttm -48.52 157.94 0.67 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.127 . . . . 74.349999999999994 109.279 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . 0.4 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.2 Cg_endo -74.95 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.533 1.807 . . . . 72.200000000000003 111.014 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.489 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.0 OUTLIER -65.08 -11.62 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 62.439999999999998 109.624 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.488 ' O ' ' CB ' ' A' ' 536' ' ' ARG . 0.6 OUTLIER -84.86 -44.91 12.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 73.540000000000006 110.261 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.4 mm? -56.09 -58.19 8.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 538' ' ' ALA . 4.5 mt-30 -56.52 -53.08 61.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 75.329999999999998 110.283 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -65.0 -12.56 51.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.162 . . . . 64.310000000000002 109.263 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 18.3 tpp180 -95.01 -27.85 15.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 74.519999999999996 110.249 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 -12.81 22.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 73.109999999999999 109.246 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 534' ' ' GLN . . . -54.0 -20.8 6.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.510000000000005 109.276 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 68.3 mtm -84.37 -29.03 26.57 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.488 1.118 . . . . 51.229999999999997 111.04 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.619 ' CZ3' ' NE2' ' A' ' 544' ' ' GLN . 1.5 t90 -79.08 -55.62 4.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 55.310000000000002 108.018 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.414 ' O ' ' N ' ' A' ' 544' ' ' GLN . 27.0 mtp180 -38.95 -37.38 0.35 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.465 1.103 . . . . 65.120000000000005 110.253 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.02 -67.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 109.309 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -55.68 -27.44 50.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 73.310000000000002 110.33 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.619 ' NE2' ' CZ3' ' A' ' 540' ' ' TRP . 74.2 mm-40 -73.68 -25.93 60.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.529 1.143 . . . . 52.420000000000002 110.337 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 541' ' ' ARG . 10.3 t70 . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.566 1.166 . . . . 75.409999999999997 109.297 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 8.1 ttt . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.53 0.205 . . . . 71.030000000000001 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -57.56 -174.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 75.420000000000002 110.264 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 8.3 t -127.16 40.52 3.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 71.310000000000002 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 3.8 t 71.02 56.69 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 70.239999999999995 110.019 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.3 m -51.53 115.28 1.54 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.459 1.099 . . . . 74.129999999999995 109.997 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -89.61 177.38 6.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 74.329999999999998 110.289 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -108.84 148.47 30.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 65.209999999999994 110.282 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.471 ' HG2' ' CE1' ' A' ' 395' ' ' TYR . 1.6 tppp? -104.32 152.37 22.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 73.430000000000007 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.551 ' HB3' ' CE3' ' A' ' 540' ' ' TRP . 26.6 p90 -106.44 133.94 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 65.540000000000006 111.046 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 21.8 m-85 -136.36 169.08 18.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 72.109999999999999 111.02 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.485 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 1.2 m120 -112.68 -14.07 13.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.400000000000006 109.332 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 1.017 ' CD2' HD12 ' A' ' 453' ' ' ILE . 24.6 p90 -174.27 141.26 0.71 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 73.219999999999999 110.946 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.9 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -101.74 115.83 44.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.159 . . . . 73.120000000000005 109.326 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.848 HD12 HG22 ' A' ' 426' ' ' THR . 76.9 mt -80.19 119.42 29.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 65.299999999999997 109.278 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.698 HD23 HG13 ' A' ' 398' ' ' VAL . 0.7 OUTLIER -101.85 102.82 13.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.598 1.186 . . . . 74.010000000000005 109.264 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.666 ' HB3' HD23 ' A' ' 455' ' ' LEU . 16.4 p80 -134.1 -170.2 2.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 65.239999999999995 109.583 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.565 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -86.61 -162.46 0.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.83 -16.73 18.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 72.400000000000006 110.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 17.0 23.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 74.439999999999998 109.262 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.847 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -123.17 27.67 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 64.340000000000003 109.26 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.515 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 41.2 tt0 -64.08 -74.84 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.395 1.059 . . . . 53.43 110.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.426 ' C ' ' O ' ' A' ' 406' ' ' GLU . 1.8 p80 -37.82 -34.78 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 62.219999999999999 109.609 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.847 HD12 ' CG ' ' A' ' 405' ' ' ASP . 24.3 mt -60.58 -56.08 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 74.230000000000004 109.324 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -62.72 -45.84 90.87 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.451 1.094 . . . . 75.310000000000002 109.357 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.447 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 13.3 mt -61.43 -21.98 64.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 51.520000000000003 109.272 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -81.87 -13.1 58.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 73.510000000000005 110.297 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.483 HG21 ' CE2' ' A' ' 489' ' ' PHE . 6.1 t -96.51 -53.38 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 54.119999999999997 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.462 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -35.35 -43.63 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 74.450000000000003 110.3 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 415' ' ' LYS . 66.6 mm-40 -72.28 -61.81 1.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.409 1.068 . . . . 74.430000000000007 110.311 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.51 -52.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 75.510000000000005 109.37 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.902 ' HB3' HG13 ' A' ' 421' ' ' VAL . 80.5 mt -45.34 -60.12 2.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.419 1.074 . . . . 75.040000000000006 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 2.9 mt-10 -36.54 -33.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 72.549999999999997 110.279 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -63.2 -55.59 23.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 74.430000000000007 109.307 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.934 HD13 HG11 ' A' ' 524' ' ' VAL . 1.7 mt -64.57 -45.69 85.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.173 . . . . 71.230000000000004 109.379 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.34 -70.64 0.16 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.449 1.093 . . . . 52.149999999999999 110.923 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.902 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.61 137.77 1.05 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 71.519999999999996 109.256 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.461 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -74.99 -165.61 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 72.409999999999997 110.956 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.505 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 5.8 p-10 -59.15 -44.53 92.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 74.230000000000004 109.266 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.693 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 81.14 -94.57 1.6 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.585 1.178 . . . . 73.540000000000006 111.041 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.693 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 178.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 0.8 . . . . 50.340000000000003 109.276 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.848 HG22 HD12 ' A' ' 399' ' ' ILE . 3.0 p -152.54 108.02 3.29 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.764 ' CE1' HD23 ' A' ' 439' ' ' LEU . 1.0 OUTLIER -95.96 93.96 7.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 72.430000000000007 110.995 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.443 ' HG ' ' CE1' ' A' ' 401' ' ' HIS . 27.3 p -130.61 134.16 46.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 62.020000000000003 108.309 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 59.5 tt0 -176.46 112.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 64.040000000000006 110.308 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.95 71.23 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 71.129999999999995 109.352 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -108.71 44.68 1.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 64.310000000000002 111.036 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 60.16 18.24 7.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.422 1.076 . . . . 64.420000000000002 110.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.478 HG21 ' OE1' ' A' ' 438' ' ' GLU . 30.0 m -51.09 -179.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 64.349999999999994 109.345 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.497 ' CE1' ' HA3' ' A' ' 437' ' ' GLY . 3.6 p80 -93.23 -56.07 3.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.584 1.178 . . . . 74.450000000000003 109.508 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -179.94 -62.17 0.08 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.505 1.128 . . . . 64.420000000000002 110.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . 0.426 ' O ' ' CD ' ' A' ' 436' ' ' ARG . 0.0 OUTLIER -113.45 59.97 0.65 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.425 0.721 . . . . 71.040000000000006 110.267 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 434' ' ' HIS . . . -127.85 9.03 6.79 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.464 1.103 . . . . 63.439999999999998 111.085 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.478 ' OE1' HG21 ' A' ' 433' ' ' VAL . 5.2 mt-10 -106.67 -62.85 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 75.310000000000002 110.242 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.764 HD23 ' CE1' ' A' ' 427' ' ' PHE . 1.6 pp -134.03 179.86 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 109.241 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.585 ' N ' HD12 ' A' ' 439' ' ' LEU . 72.0 p -47.68 -81.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 43.240000000000002 110.075 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 444' ' ' ASP . 1.7 m -159.25 153.46 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 43.030000000000001 108.328 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.903 ' O ' HD12 ' A' ' 442' ' ' LEU . 0.2 OUTLIER -64.19 -48.09 77.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 74.030000000000001 109.344 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 472' ' ' ALA . 0.8 OUTLIER -54.76 -18.75 5.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 53.340000000000003 110.243 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.448 ' O ' ' ND1' ' A' ' 448' ' ' HIS . 15.8 t70 -53.45 -35.57 60.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 75.420000000000002 109.27 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.688 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -75.76 -26.39 57.35 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 41.450000000000003 109.322 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.594 HD11 ' CG2' ' A' ' 469' ' ' VAL . 1.1 mt -77.34 -10.63 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 42.450000000000003 109.332 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.13 -49.35 3.63 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.603 1.189 . . . . 74.310000000000002 109.269 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.651 ' CD2' ' N ' ' A' ' 449' ' ' SER . 5.5 p-80 -88.32 -53.77 4.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 63.109999999999999 109.633 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.651 ' N ' ' CD2' ' A' ' 448' ' ' HIS . 0.1 OUTLIER -70.77 151.37 44.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 63.149999999999999 109.929 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -67.11 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 72.040000000000006 109.336 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 485' ' ' CYS . 19.3 m-30 -120.02 134.43 55.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 72.329999999999998 111.001 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.9 HG23 HG12 ' A' ' 398' ' ' VAL . 16.4 mm -70.99 134.73 29.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 62.450000000000003 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 1.017 HD12 ' CD2' ' A' ' 397' ' ' PHE . 6.1 mt -108.34 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.299999999999997 109.239 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.656 HD13 ' HB3' ' A' ' 465' ' ' SER . 6.7 mt -88.89 107.42 18.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 61.130000000000003 109.31 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.666 HD23 ' HB3' ' A' ' 401' ' ' HIS . 7.5 tp -75.33 79.5 2.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.478 1.111 . . . . 75.230000000000004 109.295 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 456' ' ' LEU . 4.3 mt -63.59 91.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.107 . . . . 71.209999999999994 109.294 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.475 HG22 ' CG ' ' A' ' 491' ' ' PRO . 77.5 p -127.84 150.38 49.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.402 1.063 . . . . 75.510000000000005 110.379 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 77.5 p -59.84 -15.38 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 72.519999999999996 109.953 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.565 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.9 m120 -91.09 -20.61 21.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 61.539999999999999 109.259 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 79.6 t80 -111.43 172.42 6.9 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.404 1.065 . . . . 65.420000000000002 111.018 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.495 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.5 OUTLIER -125.72 131.29 52.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.165 . . . . 74.200000000000003 109.292 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.448 ' HB2' HD22 ' A' ' 456' ' ' LEU . 12.2 t -94.03 -42.42 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 108.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 462' ' ' CYS . 42.0 mtp180 -38.61 -30.17 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 110.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -84.64 -71.3 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.42 1.075 . . . . 71.109999999999999 109.296 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.656 ' HB3' HD13 ' A' ' 454' ' ' LEU . 0.5 OUTLIER -41.53 -59.42 1.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 64.049999999999997 110.02 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 466' ' ' LEU . 1.6 tm? -48.24 -37.92 17.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.444 1.09 . . . . 44.350000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.9 OUTLIER -73.54 -31.0 63.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.437 1.086 . . . . 62.020000000000003 109.541 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.853 ' HB3' HD23 ' A' ' 442' ' ' LEU . 6.5 mt-30 -77.74 -69.18 0.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 73.400000000000006 110.364 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.594 ' CG2' HD11 ' A' ' 446' ' ' ILE . 5.2 p -41.75 -50.86 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.452 1.095 . . . . 63.200000000000003 109.326 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.495 ' ND2' HD22 ' A' ' 466' ' ' LEU . 1.1 m-80 -43.39 -48.9 7.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 71.239999999999995 109.24 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -68.63 -32.57 72.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 52.210000000000001 110.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.545 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -66.06 -27.17 67.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 72.209999999999994 109.265 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.712 ' HE3' HG23 ' A' ' 486' ' ' VAL . 16.2 mtt -72.75 -57.15 4.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.988 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -66.47 -8.35 25.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 61.100000000000001 111.043 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -108.47 -1.12 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 74.519999999999996 110.003 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' A' ' 479' ' ' ARG . 29.5 t-20 -130.46 52.42 2.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 74.0 109.338 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 3.7 mt -96.82 -15.8 21.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.4 t -85.9 1.82 48.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 71.099999999999994 110.417 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.421 ' HB2' ' ND2' ' A' ' 476' ' ' ASN . 4.1 mmt-85 -111.35 -72.13 0.73 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.402 1.064 . . . . 72.430000000000007 110.207 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 3.5 pt20 -119.4 -36.82 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.319 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.417 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.43 55.5 29.34 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 110.971 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.0 m -127.76 107.69 20.51 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.541 0.789 . . . . 53.340000000000003 109.983 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.97 1.2 7.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.566 1.824 . . . . 74.340000000000003 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.45 33.61 3.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.439999999999998 109.379 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.502 ' HA ' ' CD1' ' A' ' 451' ' ' PHE . 26.2 p -107.02 34.55 3.4 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 62.420000000000002 108.271 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.892 ' O ' HD13 ' A' ' 487' ' ' ILE . 45.9 t -129.98 136.38 58.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 65.209999999999994 109.24 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 486' ' ' VAL . 4.7 mm -141.46 101.52 6.1 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.148 . . . . 65.219999999999999 109.276 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.456 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 104.45 1.9 Allowed 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.532 1.806 . . . . 74.099999999999994 110.991 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.483 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.4 t80 -80.08 158.42 26.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 73.5 110.971 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.464 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -143.0 101.14 5.33 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 74.319999999999993 109.361 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.475 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -75.06 171.28 18.63 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.56 1.821 . . . . 74.230000000000004 110.99 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.646 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.8 mp -76.78 -27.75 55.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 64.439999999999998 109.272 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -64.06 -33.12 75.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 62.109999999999999 110.257 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.403 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.6 m -118.99 173.08 7.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 61.329999999999998 109.991 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.423 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -144.8 165.27 23.31 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 70.200000000000003 109.948 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.464 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.0 -32.95 4.95 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.553 1.817 . . . . 72.329999999999998 111.029 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -62.34 -25.82 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.459 1.099 . . . . 64.019999999999996 109.269 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -73.37 -9.61 58.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 110.26 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.886 HD12 HG21 ' A' ' 503' ' ' THR . 4.2 mt -97.3 163.0 13.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 50.0 m -66.26 161.32 22.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.4 1.062 . . . . 74.120000000000005 110.016 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 44.0 t -65.17 -11.18 37.7 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.479 1.112 . . . . 42.509999999999998 109.996 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.4 m-20 -81.39 -40.01 24.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.425 1.078 . . . . 73.439999999999998 109.251 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.886 HG21 HD12 ' A' ' 499' ' ' LEU . 1.4 m -41.96 -38.33 1.57 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 70.430000000000007 110.418 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -60.76 -46.68 89.51 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.471 1.107 . . . . 62.549999999999997 109.248 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 30.5 t -73.98 -18.52 60.85 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.447 1.092 . . . . 73.129999999999995 109.956 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 58.4 mt -76.22 -35.33 59.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 63.210000000000001 109.225 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.748 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.8 pp -110.42 16.3 21.68 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 70.140000000000001 109.313 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.3 m -74.76 107.4 6.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 74.439999999999998 109.997 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.29 -24.31 7.78 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.448 1.093 . . . . 70.340000000000003 111.077 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 2.2 mt -88.46 -178.81 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.42 0.718 . . . . 63.350000000000001 109.275 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 76.1 t -108.97 99.68 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.209999999999994 109.242 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.407 ' NH1' ' HG3' ' A' ' 496' ' ' PRO . 4.1 ttm180 -66.89 121.56 15.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.398 1.061 . . . . 73.450000000000003 110.376 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.63 HD21 HG23 ' A' ' 524' ' ' VAL . 4.4 tp -83.25 153.2 24.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 62.450000000000003 109.364 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.504 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 3.4 m-20 -135.88 167.54 21.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 72.400000000000006 109.331 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 489' ' ' PHE . 11.7 tt0 -126.33 1.78 7.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.163 . . . . 70.349999999999994 110.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -128.7 11.65 6.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 55.240000000000002 109.591 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . 0.409 ' OG ' HG23 ' A' ' 519' ' ' ILE . 2.0 t -99.25 137.3 37.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.584 1.178 . . . . 74.239999999999995 110.062 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -78.75 -2.24 38.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 74.129999999999995 110.308 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.58 -25.13 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 71.329999999999998 109.338 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.504 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.29 -35.31 0.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 73.219999999999999 110.985 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.706 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.99 -47.17 74.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 40.119999999999997 109.271 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.709 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -74.21 -21.53 59.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 65.439999999999998 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.7 mmmt -72.99 -42.33 63.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 71.319999999999993 109.35 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.934 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -77.84 -44.4 28.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 63.43 109.307 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.67 -9.15 40.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 63.210000000000001 109.324 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.4 m-20 -86.72 -49.9 7.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 70.310000000000002 109.378 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.53 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.9 t -85.15 -54.97 4.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.439999999999998 110.368 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.714 ' CE2' HD11 ' A' ' 453' ' ' ILE . 41.9 m-85 -84.03 47.29 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 73.129999999999995 111.041 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.625 ' O ' HD23 ' A' ' 533' ' ' LEU . 66.0 mttt -54.92 159.36 3.78 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.405 1.066 . . . . 75.140000000000001 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . 0.451 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.5 Cg_endo -74.96 -47.05 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.548 1.815 . . . . 54.009999999999998 111.025 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.563 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 7.6 p80 -56.77 -18.1 11.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 1.184 . . . . 74.310000000000002 109.595 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 1.3 mpt_? -99.51 -42.0 7.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 65.329999999999998 110.244 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 529' ' ' LYS . 0.3 OUTLIER -55.92 -43.11 77.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.328 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 2.6 mt-30 -73.11 -44.81 59.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 72.430000000000007 110.286 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -52.48 -22.07 4.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 64.209999999999994 109.336 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -96.85 -24.32 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 70.310000000000002 110.288 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.445 ' O ' ' CG ' ' A' ' 541' ' ' ARG . 33.6 mmtt -83.86 -6.01 59.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.568 1.167 . . . . 54.020000000000003 109.294 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.09 89.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 54.100000000000001 109.274 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 8.6 mtm -77.77 -50.86 11.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 74.25 110.989 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.551 ' CE3' ' HB3' ' A' ' 394' ' ' PHE . 10.6 m95 -59.85 -32.83 71.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 75.200000000000003 108.077 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.445 ' CG ' ' O ' ' A' ' 537' ' ' LYS . 4.7 mtp-105 -59.22 -15.64 16.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 63.409999999999997 110.241 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -71.39 -32.26 68.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 72.040000000000006 109.299 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 543' ' ' GLU . 16.5 mp0 -91.63 -18.74 23.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 42.240000000000002 110.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -85.47 -37.17 20.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.42 1.075 . . . . 71.349999999999994 110.303 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 54.350000000000001 109.267 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 3.6 mmm . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.522 0.201 . . . . 44.520000000000003 111.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -105.22 126.72 52.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 74.409999999999997 110.281 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 28.1 t -94.09 15.79 16.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.112 . . . . 74.420000000000002 110.046 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 4.8 p -130.64 19.38 5.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.564 1.165 . . . . 33.420000000000002 109.916 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 t -67.14 99.78 0.71 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 62.350000000000001 110.042 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -91.11 -176.39 4.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 51.25 110.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -90.22 162.28 15.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.522 1.139 . . . . 74.319999999999993 110.256 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 5.1 tppt? -149.47 135.36 18.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.515 1.134 . . . . 44.43 109.331 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -111.45 155.1 23.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.175 . . . . 54.020000000000003 110.993 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.465 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 8.2 m-30 -116.29 145.88 42.83 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.928 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.5 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.8 m-80 -111.58 -14.22 13.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 51.409999999999997 109.253 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.776 ' CD2' HD12 ' A' ' 453' ' ' ILE . 3.2 p90 -165.5 147.82 7.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 72.230000000000004 111.031 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.74 HG12 HG23 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -106.4 114.61 46.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 72.209999999999994 109.322 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.774 HD11 ' HE2' ' A' ' 397' ' ' PHE . 41.3 mt -89.48 101.41 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 63.340000000000003 109.276 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.598 HD22 ' HB2' ' A' ' 427' ' ' PHE . 2.3 mm? -79.81 122.71 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 74.299999999999997 109.279 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.529 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 15.5 p80 -157.32 165.14 36.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 74.310000000000002 109.618 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.465 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -65.69 -162.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 64.150000000000006 109.277 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.12 -11.54 21.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 75.150000000000006 110.274 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.52 16.63 24.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 74.319999999999993 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.708 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.3 OUTLIER -123.89 26.44 7.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 61.5 109.264 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.529 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 22.4 tt0 -66.89 -76.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 73.049999999999997 110.299 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.512 ' CE1' HG13 ' A' ' 408' ' ' ILE . 8.5 p-80 -38.34 -31.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 71.129999999999995 109.536 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 407' ' ' HIS . 22.8 mt -63.65 -57.44 11.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.548 1.155 . . . . 74.310000000000002 109.35 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -63.45 -50.43 69.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 72.019999999999996 109.348 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.532 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.4 mt -49.55 -24.96 2.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.524 1.14 . . . . 64.439999999999998 109.379 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 6.0 ttm-85 -80.35 -33.13 37.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 62.200000000000003 110.265 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.7 t -74.12 -54.27 15.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.501 1.126 . . . . 62.549999999999997 109.262 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.466 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 8.5 mtm180 -36.56 -49.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.416 1.072 . . . . 61.020000000000003 110.352 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 415' ' ' LYS . 95.0 mt-10 -66.53 -59.01 4.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.595 1.184 . . . . 54.439999999999998 110.288 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.69 -50.29 1.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.075 . . . . 75.140000000000001 109.298 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 97.0 mt -48.92 -57.3 6.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.422 1.076 . . . . 74.420000000000002 109.289 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 34.2 mt-10 -38.52 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 63.32 110.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -66.02 -54.5 25.19 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.48 1.112 . . . . 51.299999999999997 109.358 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.855 HD13 HG11 ' A' ' 524' ' ' VAL . 1.9 mt -65.91 -45.72 80.89 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 62.219999999999999 109.326 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.63 -71.75 0.13 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.444 1.09 . . . . 70.219999999999999 110.936 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.62 137.53 1.08 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 71.040000000000006 109.297 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' A' ' 417' ' ' GLU . 18.2 Cg_endo -74.91 -167.9 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.446 1.761 . . . . 73.420000000000002 111.04 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.503 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.5 OUTLIER -55.11 -45.49 75.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.329 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.713 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.22 -94.93 1.81 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 52.329999999999998 110.982 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.713 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.76 -177.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 71.519999999999996 109.262 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 7.1 p -151.82 142.9 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 54.539999999999999 110.393 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.991 ' CE2' HD13 ' A' ' 439' ' ' LEU . 3.3 m-30 -116.14 146.16 42.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 73.319999999999993 110.953 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 28.4 p -139.25 109.08 6.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 63.420000000000002 108.421 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -41.13 143.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 72.340000000000003 110.363 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -42.8 113.88 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 61.100000000000001 109.332 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.45 75.54 1.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 72.230000000000004 110.933 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 61.09 14.91 5.79 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.424 1.078 . . . . 74.400000000000006 110.321 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 -176.56 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 74.430000000000007 109.232 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.554 ' CE1' ' HG2' ' A' ' 438' ' ' GLU . 18.2 p80 -57.59 -44.87 85.73 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 62.219999999999999 109.543 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -179.55 -165.85 34.3 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.58 1.175 . . . . 72.219999999999999 111.018 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -88.88 11.3 18.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 0.806 . . . . 55.149999999999999 110.361 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -82.07 6.88 65.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.439 1.087 . . . . 40.399999999999999 110.952 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.554 ' HG2' ' CE1' ' A' ' 434' ' ' HIS . 22.9 mt-10 -65.41 -61.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 0.716 . . . . 75.140000000000001 110.352 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.991 HD13 ' CE2' ' A' ' 427' ' ' PHE . 2.4 pp -134.01 142.14 47.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 60.32 109.311 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -39.69 -71.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 73.409999999999997 110.014 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.515 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.6 p -161.85 155.38 21.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 55.219999999999999 108.357 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.903 HD13 ' N ' ' A' ' 443' ' ' GLN . 0.0 OUTLIER -58.4 -34.04 70.31 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 65.439999999999998 109.351 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.903 ' N ' HD13 ' A' ' 442' ' ' LEU . 5.1 pt20 -73.9 -14.64 61.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 62.420000000000002 110.361 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.42 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 23.3 t70 -60.99 -15.41 31.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 74.510000000000005 109.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.483 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -91.97 -32.46 15.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 72.219999999999999 109.28 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.68 HG22 HE22 ' A' ' 480' ' ' GLN . 6.2 mt -56.61 -31.6 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 74.329999999999998 109.368 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.588 ' OD2' ' CE1' ' A' ' 448' ' ' HIS . 4.8 p-10 -96.77 -56.73 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.456 1.098 . . . . 75.230000000000004 109.336 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.588 ' CE1' ' OD2' ' A' ' 447' ' ' ASP . 1.6 m-70 -60.87 -62.66 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 109.591 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 445' ' ' ALA . 1.1 p -71.31 157.68 37.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 64.439999999999998 109.978 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.443 ' CB ' HD13 ' A' ' 533' ' ' LEU . . . -71.85 -78.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 53.409999999999997 109.255 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.479 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.2 m-85 -116.38 129.1 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 72.109999999999999 110.993 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.74 HG23 HG12 ' A' ' 398' ' ' VAL . 27.4 mm -69.17 129.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 109.321 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.776 HD12 ' CD2' ' A' ' 397' ' ' PHE . 2.9 mt -106.96 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.29 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.526 HD12 ' CB ' ' A' ' 465' ' ' SER . 2.6 mm? -102.93 104.85 15.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.244 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 457' ' ' THR . 8.6 tp -69.85 86.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 73.409999999999997 109.323 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.659 HD11 ' HB2' ' A' ' 488' ' ' PRO . 7.8 mt -65.57 92.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 63.310000000000002 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.708 HG21 ' OD2' ' A' ' 405' ' ' ASP . 16.5 p -129.96 145.2 51.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 74.129999999999995 110.37 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 82.1 p -56.87 -18.11 11.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 64.129999999999995 109.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -86.31 -25.75 25.28 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.477 1.111 . . . . 62.210000000000001 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.575 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 49.3 t80 -107.38 172.59 6.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.415 1.072 . . . . 63.439999999999998 110.995 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.575 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.0 OUTLIER -115.4 141.26 48.28 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 74.450000000000003 109.274 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.662 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.4 m -92.09 -54.85 3.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 31.34 108.288 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 467' ' ' HIS . 0.3 OUTLIER -38.64 -57.31 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.599 1.187 . . . . 75.209999999999994 110.37 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.437 ' CB ' ' OD1' ' A' ' 461' ' ' ASP . 1.4 tm? -44.67 -65.86 0.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 75.030000000000001 109.313 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.526 ' CB ' HD12 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -47.0 -62.43 1.41 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 53.310000000000002 109.9 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.787 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.3 OUTLIER -51.66 -23.08 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 109.321 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 463' ' ' ARG . 0.2 OUTLIER -86.57 -28.96 22.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 71.019999999999996 109.582 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 465' ' ' SER . 9.0 mt-30 -83.06 -62.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 62.530000000000001 110.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . . . . . . . . . 9.3 p -42.12 -43.46 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.549999999999997 109.284 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.649 ' ND2' HD22 ' A' ' 466' ' ' LEU . 2.0 m-80 -61.45 -67.71 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 1.184 . . . . 72.319999999999993 109.326 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.447 ' O ' ' CB ' ' A' ' 475' ' ' SER . 4.0 mm100 -38.63 -46.46 1.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.451 1.095 . . . . 54.009999999999998 110.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 443' ' ' GLN . . . -61.96 -51.69 67.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 44.149999999999999 109.355 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.492 ' HE1' ' CG2' ' A' ' 486' ' ' VAL . 4.4 mtt -51.5 -68.93 0.13 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.120000000000005 111.056 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.785 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -55.59 -17.19 5.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.403 1.065 . . . . 74.129999999999995 110.934 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 4.4 m -84.49 -27.24 27.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 54.310000000000002 109.985 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 48.7 t30 -137.81 86.88 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 54.340000000000003 109.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.785 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.6 mt -111.03 -20.71 12.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.109999999999999 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.4 t -77.01 0.8 19.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 61.439999999999998 110.389 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 7.6 mmt85 -103.2 -74.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 73.319999999999993 110.324 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.68 HE22 HG22 ' A' ' 446' ' ' ILE . 3.3 pt20 -116.7 -35.45 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 75.099999999999994 110.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.416 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 42.26 54.56 4.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.504 1.127 . . . . 53.520000000000003 110.975 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 4.7 m -113.13 94.76 31.96 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 74.120000000000005 109.984 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.478 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -75.01 1.17 8.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.55 1.816 . . . . 70.230000000000004 111.042 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.57 26.58 6.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 63.210000000000001 109.277 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.446 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 32.0 p -107.01 24.41 12.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.603 1.189 . . . . 65.209999999999994 108.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 1.029 ' O ' HD13 ' A' ' 487' ' ' ILE . 4.4 t -111.12 124.82 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 74.219999999999999 109.365 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 1.029 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.0 mm -137.55 94.89 11.62 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 62.200000000000003 109.224 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.659 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 100.9 1.41 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.544 1.813 . . . . 74.230000000000004 110.993 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 454' ' ' LEU . 6.1 t80 -78.06 168.49 19.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.421 1.076 . . . . 61.049999999999997 110.993 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -151.31 100.42 2.99 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 54.200000000000003 109.346 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -74.93 147.57 34.43 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.405 1.74 . . . . 72.340000000000003 111.038 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.48 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.4 mp -53.65 -39.18 64.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.133 . . . . 73.140000000000001 109.263 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -52.94 -28.6 24.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.108 . . . . 71.439999999999998 110.293 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.508 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -114.91 177.74 4.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.539 1.149 . . . . 71.340000000000003 110.049 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.39 159.33 42.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.379 1.05 . . . . 54.119999999999997 110.061 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.658 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.96 -25.9 11.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.562 1.822 . . . . 72.439999999999998 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -68.4 -22.62 64.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 54.420000000000002 109.241 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 5.0 mt-30 -77.14 -10.37 59.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 55.340000000000003 110.37 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.662 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.5 mt -96.88 160.29 14.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 109.294 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.96 158.73 18.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.591 1.182 . . . . 42.119999999999997 110.02 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 12.4 t -67.79 -10.14 50.26 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 42.350000000000001 109.944 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 505' ' ' SER . 27.1 m-20 -80.82 -37.34 30.29 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.379 1.049 . . . . 74.439999999999998 109.376 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.83 HG22 HD21 ' A' ' 507' ' ' LEU . 19.5 m -41.35 -53.31 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 72.140000000000001 110.385 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.11 -39.99 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.455 1.097 . . . . 75.019999999999996 109.314 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 502' ' ' ASP . 67.2 m -79.07 -27.17 43.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 64.019999999999996 110.062 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.7 mt -66.44 -26.45 67.22 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.483 1.114 . . . . 74.030000000000001 109.301 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.83 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.83 24.77 7.59 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.474 1.109 . . . . 73.409999999999997 109.292 179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.53 -31.73 37.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 75.200000000000003 110.088 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -104.94 -29.38 5.25 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.537 1.148 . . . . 61.420000000000002 110.944 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.85 -178.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 0.772 . . . . 72.140000000000001 109.294 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 25.2 t -119.7 92.18 2.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.423 1.077 . . . . 72.319999999999993 109.323 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.574 ' HD3' HD11 ' A' ' 507' ' ' LEU . 12.4 ttp180 -53.68 105.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 71.049999999999997 110.281 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.571 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.8 tp -83.55 130.34 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.081 . . . . 54.530000000000001 109.342 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.54 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 14.6 m-20 -121.32 167.51 12.67 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.519 1.137 . . . . 74.409999999999997 109.42 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.48 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 19.8 tp10 -114.91 -13.15 11.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.147 . . . . 74.239999999999995 110.293 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.453 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -97.12 -18.91 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 64.510000000000005 109.59 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.83 134.41 46.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 65.239999999999995 110.052 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -81.13 4.06 21.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 64.420000000000002 110.316 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.734 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.17 -25.06 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.296 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.0 t80 -40.16 -35.55 0.41 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 73.400000000000006 111.049 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.75 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -54.73 -47.35 73.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 109.265 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.705 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.46 -19.0 60.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 64.209999999999994 110.344 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.734 ' CD ' HD11 ' A' ' 519' ' ' ILE . 18.1 mmmt -75.19 -44.37 46.92 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.552 1.157 . . . . 63.340000000000003 109.332 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.855 HG11 HD13 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -72.78 -40.53 61.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 71.510000000000005 109.378 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.66 -3.13 29.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 72.25 109.316 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -97.77 -33.96 11.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 73.439999999999998 109.296 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.7 t -100.99 -54.55 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.672 ' CE2' HD11 ' A' ' 453' ' ' ILE . 52.0 m-85 -84.91 56.76 4.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 74.319999999999993 111.049 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.9 mttt -72.03 154.57 92.42 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . 0.449 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.5 Cg_endo -74.92 -10.59 21.43 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.577 1.83 . . . . 64.099999999999994 110.965 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.56 -12.0 21.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.113 . . . . 65.129999999999995 109.557 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.445 ' O ' ' N ' ' A' ' 536' ' ' ARG . 19.3 mmt180 -97.62 -42.32 7.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 74.310000000000002 110.276 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 529' ' ' LYS . 1.7 mm? -47.89 -37.42 14.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.355 1.035 . . . . 73.209999999999994 109.322 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 5.1 mt-30 -84.48 -46.33 11.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 71.329999999999998 110.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.819 ' HA ' ' HB3' ' A' ' 538' ' ' ALA . . . -61.3 -15.22 33.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 1.159 . . . . 44.310000000000002 109.292 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.581 ' HA ' ' HE2' ' A' ' 539' ' ' MET . 8.8 mmt180 -61.91 -43.14 99.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 65.439999999999998 110.32 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -97.23 -6.15 35.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 75.239999999999995 109.299 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.819 ' HB3' ' HA ' ' A' ' 535' ' ' ALA . . . -84.9 -25.23 28.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.439 1.087 . . . . 60.009999999999998 109.255 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.581 ' HE2' ' HA ' ' A' ' 536' ' ' ARG . 0.9 OUTLIER -78.44 -29.05 46.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 71.200000000000003 110.993 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.433 ' O ' ' NE2' ' A' ' 544' ' ' GLN . 10.0 t90 -62.78 -24.61 67.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 73.230000000000004 107.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.423 ' NH2' ' CE3' ' A' ' 540' ' ' TRP . 0.0 OUTLIER -71.83 -12.85 61.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 73.209999999999994 110.308 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.458 ' HD3' ' CA ' ' A' ' 539' ' ' MET . 29.8 mtpt -64.29 -50.48 67.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.416 1.072 . . . . 53.32 109.292 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.52 ' CG ' ' N ' ' A' ' 544' ' ' GLN . 4.7 pt-20 -53.07 -47.95 68.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 34.100000000000001 110.245 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.52 ' N ' ' CG ' ' A' ' 543' ' ' GLU . 2.9 mt-30 -68.92 -34.46 75.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.579 1.174 . . . . 74.109999999999999 110.316 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 61.420000000000002 109.325 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.454 0.169 . . . . 62.240000000000002 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -87.2 164.87 16.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 63.520000000000003 110.36 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 5.4 t -92.2 15.02 14.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 64.239999999999995 110.002 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.8 m -130.33 18.36 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 72.340000000000003 109.991 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.0 t -84.6 108.1 17.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 1.069 . . . . 53.439999999999998 110.002 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -81.34 178.67 8.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.413 1.071 . . . . 73.340000000000003 110.296 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -151.36 152.24 32.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.179 . . . . 64.200000000000003 110.351 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.472 ' HZ3' ' HB2' ' A' ' 393' ' ' LYS . 0.9 OUTLIER -84.72 122.87 29.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 75.530000000000001 109.293 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -149.99 168.56 23.48 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.436 1.085 . . . . 61.119999999999997 111.127 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.411 ' CD1' ' HB2' ' A' ' 425' ' ' ALA . 14.4 m-85 -124.05 147.76 47.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 74.340000000000003 111.002 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.774 ' OD1' HD13 ' A' ' 533' ' ' LEU . 21.3 m-80 -113.36 -12.84 12.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 75.239999999999995 109.299 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.925 ' CD2' HD12 ' A' ' 453' ' ' ILE . 18.7 p90 -172.16 127.98 0.57 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.503 1.127 . . . . 74.239999999999995 110.989 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.947 HG12 HG23 ' A' ' 452' ' ' ILE . 2.7 p -89.33 107.28 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 70.5 109.309 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.721 HD11 ' HE2' ' A' ' 397' ' ' PHE . 77.1 mt -74.22 98.07 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 62.450000000000003 109.312 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.587 HD21 ' CD2' ' A' ' 427' ' ' PHE . 1.6 mt -80.88 103.89 11.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 75.420000000000002 109.361 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.606 ' CB ' HD23 ' A' ' 455' ' ' LEU . 18.2 p80 -136.61 172.45 13.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 62.43 109.534 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.709 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -66.9 -161.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.372 1.045 . . . . 72.530000000000001 109.283 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -99.9 -27.42 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.517 1.136 . . . . 72.430000000000007 110.349 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -95.6 16.84 16.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 35.229999999999997 109.323 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.4 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.6 OUTLIER -121.42 27.69 8.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 62.32 109.24 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.543 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.0 tt0 -65.59 -75.6 0.09 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 72.439999999999998 110.287 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.521 ' CE1' HG13 ' A' ' 408' ' ' ILE . 9.9 p-80 -38.02 -36.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 74.439999999999998 109.622 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.521 HG13 ' CE1' ' A' ' 407' ' ' HIS . 41.8 mt -58.26 -60.01 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.399 1.062 . . . . 75.420000000000002 109.259 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -60.65 -51.87 67.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 61.219999999999999 109.341 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.3 mt -50.32 -27.76 6.75 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.601 1.188 . . . . 71.420000000000002 109.277 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -78.23 -31.31 49.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.611 1.194 . . . . 73.420000000000002 110.28 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -76.27 -55.14 11.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.465 1.103 . . . . 64.209999999999994 109.305 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.472 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.8 mtm180 -34.57 -49.6 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 71.450000000000003 110.28 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 415' ' ' LYS . 68.0 mm-40 -68.15 -58.45 4.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 70.109999999999999 110.258 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 414' ' ' GLU . 0.0 OUTLIER -39.9 -56.98 1.69 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 73.200000000000003 109.233 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.95 ' HB3' HG13 ' A' ' 421' ' ' VAL . 46.0 mt -39.32 -56.13 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.209999999999994 109.306 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 416' ' ' LEU . 17.3 mt-10 -36.8 -49.34 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 54.109999999999999 110.415 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -47.72 -48.25 29.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 109.386 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.91 HD22 ' HA ' ' A' ' 521' ' ' ALA . 3.6 mt -71.52 -46.03 60.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 61.409999999999997 109.315 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 166.87 -72.57 0.16 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.505 1.128 . . . . 61.329999999999998 111.005 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.95 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.37 137.02 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.408 0.711 . . . . 74.420000000000002 109.266 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.01 -169.13 0.59 Allowed 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.53 1.805 . . . . 51.530000000000001 110.975 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.514 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -53.72 -46.51 70.83 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.488 1.117 . . . . 65.329999999999998 109.325 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.718 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.77 -94.34 1.81 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 54.299999999999997 111.044 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.718 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.72 -178.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 0.737 . . . . 53.210000000000001 109.4 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.472 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.6 p -146.61 168.39 21.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 54.340000000000003 110.356 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.776 ' CE2' HD23 ' A' ' 442' ' ' LEU . 11.3 t80 -154.36 140.6 18.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.411 1.069 . . . . 73.310000000000002 111.02 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 26.6 p -108.01 159.95 16.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 65.450000000000003 108.28 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -45.12 169.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 61.140000000000001 110.362 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -110.88 20.4 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 73.430000000000007 109.3 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . 0.525 ' O ' ' CD2' ' A' ' 431' ' ' PHE . 67.6 t80 -122.78 18.02 10.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.58 1.175 . . . . 71.5 111.03 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -127.89 -43.78 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 73.420000000000002 110.275 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 12.0 m -75.67 165.61 3.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.538 1.149 . . . . 75.140000000000001 109.39 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.592 ' CE1' ' OE2' ' A' ' 438' ' ' GLU . 6.5 p80 -65.57 -48.77 71.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 73.530000000000001 109.562 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . 0.439 ' O ' ' NH2' ' A' ' 436' ' ' ARG . . . 77.38 63.0 2.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.114 . . . . 71.25 110.935 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . 0.439 ' NH2' ' O ' ' A' ' 435' ' ' GLY . 14.2 mmp_? -116.64 41.1 2.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 72.25 110.318 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 83.48 63.19 1.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.544 1.152 . . . . 64.209999999999994 111.036 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.592 ' OE2' ' CE1' ' A' ' 434' ' ' HIS . 34.4 mt-10 -93.01 -44.43 8.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 0.785 . . . . 71.420000000000002 110.23 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.716 HD12 ' N ' ' A' ' 441' ' ' CYS . 2.0 pp -133.44 156.59 47.44 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.459 1.1 . . . . 53.130000000000003 109.312 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 10.3 t -48.87 -68.45 0.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.123 . . . . 73.450000000000003 110.05 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.716 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.3 t -159.73 146.85 16.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 60.119999999999997 108.323 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.996 ' O ' HD22 ' A' ' 442' ' ' LEU . 0.1 OUTLIER -59.52 -38.09 80.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 70.049999999999997 109.292 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.56 ' O ' HG22 ' A' ' 446' ' ' ILE . 33.8 mt-30 -81.09 -5.6 57.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 75.219999999999999 110.26 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.502 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.4 t70 -76.01 -11.7 60.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 73.239999999999995 109.324 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.631 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -83.88 -18.69 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 42.229999999999997 109.233 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 452' ' ' ILE . 0.8 OUTLIER -76.29 -28.61 18.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.329 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.484 ' CB ' ' OE1' ' A' ' 480' ' ' GLN . 0.7 OUTLIER -104.07 -31.15 9.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 74.019999999999996 109.277 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.502 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 7.6 t60 -91.2 21.34 4.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 75.150000000000006 109.595 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.56 146.83 13.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 64.239999999999995 109.966 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.715 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -50.26 -82.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 73.239999999999995 109.285 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -127.32 138.4 53.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.123 . . . . 73.209999999999994 111.05 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.947 HG23 HG12 ' A' ' 398' ' ' VAL . 21.6 mm -74.74 130.66 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 70.120000000000005 109.265 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.925 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.3 mt -107.64 110.56 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.169 . . . . 73.049999999999997 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.928 HD12 ' CB ' ' A' ' 465' ' ' SER . 1.8 mm? -89.48 101.93 14.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 62.109999999999999 109.315 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.606 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.5 tp -67.3 81.21 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 63.100000000000001 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.697 ' CD1' HD22 ' A' ' 507' ' ' LEU . 9.4 mt -64.16 91.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.572 1.17 . . . . 54.539999999999999 109.377 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 81.6 p -127.88 154.32 45.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 44.399999999999999 110.439 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.3 m -62.29 -14.82 43.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.454 1.096 . . . . 65.230000000000004 109.904 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.709 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.1 m-20 -92.41 -15.46 27.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 75.019999999999996 109.288 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 465' ' ' SER . 26.5 t80 -113.25 174.48 5.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.299999999999997 111.043 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.426 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 3.0 m-20 -121.09 138.36 54.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 74.019999999999996 109.314 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.6 m -94.0 -48.33 6.3 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.468 1.105 . . . . 62.109999999999999 108.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.3 mtt85 -47.05 -24.28 0.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 75.239999999999995 110.311 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.7 tm? -88.55 -70.44 0.64 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.928 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.1 p -48.27 -58.56 4.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.494 1.121 . . . . 60.130000000000003 110.02 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 466' ' ' LEU . 2.5 tm? -51.36 -22.54 2.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 72.239999999999995 109.358 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -92.97 -26.05 17.72 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.43 1.081 . . . . 63.219999999999999 109.571 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.73 ' HB3' HD11 ' A' ' 442' ' ' LEU . 4.5 mt-30 -85.47 -10.41 56.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.589 1.181 . . . . 75.319999999999993 110.288 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.543 HG13 ' N ' ' A' ' 470' ' ' ASN . 7.8 p -99.31 -52.98 8.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.566 1.166 . . . . 65.109999999999999 109.377 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.543 ' N ' HG13 ' A' ' 469' ' ' VAL . 1.9 m-80 -48.41 -43.57 34.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.569 1.168 . . . . 64.239999999999995 109.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.503 ' O ' ' CB ' ' A' ' 475' ' ' SER . 23.7 mm-40 -69.94 -39.88 75.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 73.109999999999999 110.298 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.611 ' HB3' ' CD1' ' A' ' 446' ' ' ILE . . . -54.87 -19.95 7.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 75.140000000000001 109.239 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.479 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 3.8 mtt -88.19 -66.66 0.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 60.310000000000002 110.937 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.469 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.7 ptm -61.73 -12.49 16.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 72.150000000000006 110.883 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 20.1 t -95.92 -13.86 23.56 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.563 1.164 . . . . 62.130000000000003 109.965 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 50.3 t30 -148.9 86.64 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 64.540000000000006 109.26 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 473' ' ' MET . 6.8 mt -110.96 -20.45 12.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 70.129999999999995 109.292 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.8 t -77.28 0.87 20.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 63.229999999999997 110.371 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 4.9 mmm180 -103.34 -74.62 0.63 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 74.310000000000002 110.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.484 ' OE1' ' CB ' ' A' ' 447' ' ' ASP . 5.4 pm0 -115.2 -31.63 5.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 65.120000000000005 110.245 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 50.5 53.93 22.77 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 72.030000000000001 111.02 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 97.3 p -113.21 94.8 32.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 62.450000000000003 109.987 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 0.98 8.28 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.448 1.762 . . . . 74.239999999999995 110.973 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -119.15 43.61 2.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 61.240000000000002 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.467 ' SG ' ' CG1' ' A' ' 446' ' ' ILE . 27.0 p -111.12 36.48 3.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 72.120000000000005 108.306 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.866 ' HB ' HD22 ' A' ' 510' ' ' LEU . 2.3 t -119.69 121.69 66.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.452 1.095 . . . . 61.450000000000003 109.199 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.635 ' CG2' ' CD2' ' A' ' 513' ' ' LEU . 4.8 mm -131.65 90.04 37.99 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 74.120000000000005 109.261 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.594 ' HG3' HD12 ' A' ' 510' ' ' LEU . 18.7 Cg_endo -74.89 100.91 1.4 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.424 1.749 . . . . 52.219999999999999 111.065 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.525 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.9 t80 -77.82 168.86 19.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 73.430000000000007 110.947 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.447 HD21 ' HA ' ' A' ' 495' ' ' SER . 1.0 OUTLIER -148.54 98.86 3.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 71.310000000000002 109.319 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.11 168.42 24.8 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.477 1.777 . . . . 71.239999999999995 110.964 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.4 mp -74.71 -26.13 59.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 73.5 109.28 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.416 ' CB ' HD11 ' A' ' 408' ' ' ILE . 4.2 mm-40 -63.72 -31.22 72.33 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 110.39 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 21.3 m -121.82 178.53 4.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 42.240000000000002 109.96 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.447 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.31 163.65 27.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 61.439999999999998 110.049 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.442 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.02 -31.92 5.78 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.516 1.798 . . . . 74.519999999999996 111.022 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.06 69.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 30.309999999999999 109.386 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.34 -7.41 51.49 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 71.049999999999997 110.317 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.438 ' CD1' HG21 ' A' ' 503' ' ' THR . 9.6 mt -98.32 163.19 12.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 64.150000000000006 109.304 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.85 159.01 23.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 110.02 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.9 t -68.88 -12.73 61.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 73.129999999999995 109.969 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -86.69 -36.21 18.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 72.239999999999995 109.317 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.852 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -43.47 -26.83 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 71.239999999999995 110.454 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -68.38 -48.48 64.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.498 1.124 . . . . 65.209999999999994 109.247 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 502' ' ' ASP . 12.4 t -75.41 -19.19 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 55.549999999999997 110.01 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 503' ' ' THR . 19.0 mt -76.29 -28.5 57.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.569 1.168 . . . . 74.430000000000007 109.195 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.697 HD22 ' CD1' ' A' ' 456' ' ' LEU . 3.9 pp -112.89 15.0 19.87 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.563 1.165 . . . . 64.049999999999997 109.258 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.61 98.03 2.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.563 1.164 . . . . 73.409999999999997 110.019 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 132.05 -12.72 5.29 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.524 1.14 . . . . 72.5 111.016 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.866 HD22 ' HB ' ' A' ' 486' ' ' VAL . 7.8 mt -90.03 171.81 9.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 0.74 . . . . 62.140000000000001 109.245 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 511' ' ' VAL . 25.1 t -108.05 85.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 72.040000000000006 109.3 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 17.4 ttp180 -71.36 129.13 38.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.153 . . . . 65.319999999999993 110.323 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.635 ' CD2' ' CG2' ' A' ' 487' ' ' ILE . 0.5 OUTLIER -100.73 169.88 8.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 64.510000000000005 109.329 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -140.8 137.69 33.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.310000000000002 109.248 -179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 11.0 tp10 -93.23 5.62 50.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.612 1.195 . . . . 61.039999999999999 110.271 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.439 ' NE2' ' OD1' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -127.87 15.56 6.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 65.219999999999999 109.614 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . 0.425 ' OG ' HG23 ' A' ' 519' ' ' ILE . 8.1 t -104.69 152.42 22.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 75.019999999999996 110.043 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -96.0 -1.59 48.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 63.420000000000002 110.305 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.793 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.99 -27.53 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 109.312 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.775 ' CE2' HD11 ' A' ' 419' ' ' LEU . 1.0 OUTLIER -40.61 -33.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 73.0 110.909 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.91 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -58.07 -46.8 84.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 51.43 109.386 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.23 -22.75 60.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.559 1.162 . . . . 75.230000000000004 110.365 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.793 ' CD ' HD11 ' A' ' 519' ' ' ILE . 26.4 mmmt -71.65 -52.49 17.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 74.510000000000005 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.668 HG11 HD13 ' A' ' 419' ' ' LEU . 0.9 OUTLIER -64.7 -38.12 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.643 1.214 . . . . 71.340000000000003 109.343 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -75.15 -2.89 29.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.183 . . . . 65.540000000000006 109.366 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -102.54 -35.27 8.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 75.219999999999999 109.255 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.521 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 1.0 OUTLIER -95.76 -52.89 3.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 73.430000000000007 110.405 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.712 ' CE2' HD11 ' A' ' 453' ' ' ILE . 37.0 m-85 -89.23 41.19 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.107 . . . . 53.100000000000001 111.039 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.67 ' O ' HD23 ' A' ' 533' ' ' LEU . 30.6 mttt -40.79 160.07 0.14 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 71.310000000000002 109.226 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -61.02 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.55 1.816 . . . . 75.200000000000003 111.054 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.569 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.2 OUTLIER -52.91 -20.9 3.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 64.430000000000007 109.614 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -87.64 -35.55 17.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 110.31 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.774 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.4 OUTLIER -69.23 -52.59 26.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 109.33 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -63.74 -51.43 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 73.239999999999995 110.306 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -55.03 -19.85 7.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 64.040000000000006 109.334 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.463 ' O ' ' CE ' ' A' ' 539' ' ' MET . 3.4 tpp180 -68.42 -35.38 77.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 65.140000000000001 110.287 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.548 ' O ' ' CE3' ' A' ' 540' ' ' TRP . 10.8 mmmt -96.93 -23.26 16.41 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.445 1.09 . . . . 71.430000000000007 109.277 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.453 ' HB3' ' HA ' ' A' ' 535' ' ' ALA . . . -54.79 -20.46 8.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.25 109.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.463 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 66.0 mtm -62.25 -32.31 72.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 65.040000000000006 111.033 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.551 ' CD1' ' C ' ' A' ' 540' ' ' TRP . 0.0 OUTLIER -54.17 -22.77 12.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 75.120000000000005 107.979 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 538' ' ' ALA . 3.5 ptt-85 -64.96 -36.38 84.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.140000000000001 110.305 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.405 ' HD3' ' NH1' ' A' ' 541' ' ' ARG . 11.7 mmmm -56.55 -45.59 81.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 75.430000000000007 109.378 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -63.85 -33.95 76.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 51.439999999999998 110.309 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -68.48 -22.8 64.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 62.329999999999998 110.285 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 7.7 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 71.129999999999995 109.302 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 4.4 ptt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.468 0.175 . . . . 64.420000000000002 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -110.66 87.21 2.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 61.25 110.264 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 35.2 m -85.73 10.25 14.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 75.530000000000001 109.979 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.6 p -127.5 18.75 6.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 54.210000000000001 109.93 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 5.1 t -155.16 103.96 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.603 1.189 . . . . 63.140000000000001 110.058 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -90.42 -174.27 4.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 73.420000000000002 110.325 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . 0.434 ' NE2' ' O ' ' A' ' 393' ' ' LYS . 18.6 tm0? -42.97 164.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 73.329999999999998 110.256 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.507 ' CE ' ' HA ' ' A' ' 393' ' ' LYS . 0.4 OUTLIER -85.28 124.2 31.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 65.439999999999998 109.29 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -159.38 169.34 24.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.479 1.112 . . . . 64.549999999999997 111.008 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -113.51 132.6 55.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 65.450000000000003 111.028 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.737 ' ND2' HD12 ' A' ' 533' ' ' LEU . 34.0 m-20 -113.78 -11.35 12.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 65.400000000000006 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.886 ' CD2' HD12 ' A' ' 453' ' ' ILE . 9.8 p90 -173.1 132.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 75.219999999999999 110.923 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.938 HG12 HG23 ' A' ' 452' ' ' ILE . 2.5 p -95.2 113.25 29.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.293 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.812 HD11 ' HE2' ' A' ' 397' ' ' PHE . 68.0 mt -85.47 103.13 12.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 73.439999999999998 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 2.0 mt -79.1 129.39 34.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 63.549999999999997 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.536 ' CD2' ' HB2' ' A' ' 409' ' ' ALA . 2.1 p80 -166.02 -177.66 4.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 63.340000000000003 109.624 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.642 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.98 155.49 16.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 74.129999999999995 109.327 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.54 -15.87 8.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 72.129999999999995 110.283 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -97.06 17.27 17.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.332 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.642 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 30.8 m-20 -138.94 22.46 2.63 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 72.209999999999994 109.307 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.427 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 20.3 tt0 -65.53 -71.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 64.319999999999993 110.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 406' ' ' GLU . 16.1 p-80 -37.06 -36.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 72.140000000000001 109.572 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.523 HD13 ' HB2' ' A' ' 493' ' ' GLU . 36.2 mt -59.9 -60.94 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.442 1.089 . . . . 70.219999999999999 109.272 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.536 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -58.1 -51.52 69.36 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 53.350000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 4.6 mt -48.72 -28.01 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 73.239999999999995 109.236 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 29.2 ttp180 -77.16 -33.49 56.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 73.120000000000005 110.33 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.9 t -75.0 -53.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 109.271 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.09 -48.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 73.319999999999993 110.254 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 415' ' ' LYS . 58.2 mt-10 -68.85 -59.78 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 75.420000000000002 110.308 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -55.23 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 71.209999999999994 109.276 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 96.0 mt -41.01 -56.61 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 75.340000000000003 109.296 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 416' ' ' LEU . 7.3 mt-10 -35.78 -42.9 0.27 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.26 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -52.58 -54.44 32.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.514 1.134 . . . . 72.140000000000001 109.282 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.992 HD13 HG11 ' A' ' 524' ' ' VAL . 1.6 mt -65.98 -45.73 80.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 61.439999999999998 109.283 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.78 -69.95 0.19 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.497 1.123 . . . . 74.400000000000006 110.968 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.34 137.72 0.98 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.448 0.734 . . . . 73.430000000000007 109.288 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.444 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.08 -165.0 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.396 1.735 . . . . 75.310000000000002 110.974 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.496 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 1.2 p-10 -58.86 -44.68 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 64.319999999999993 109.268 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.703 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.08 -94.56 1.68 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.519 1.137 . . . . 55.409999999999997 111.015 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.703 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.11 -177.37 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.593 0.82 . . . . 61.200000000000003 109.226 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 7.3 p -149.47 146.81 27.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.357 1.036 . . . . 64.420000000000002 110.4 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.758 ' CZ ' HD21 ' A' ' 439' ' ' LEU . 0.6 OUTLIER -116.4 92.18 3.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 63.229999999999997 111.033 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 401' ' ' HIS . 15.6 p -126.18 167.16 15.8 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 74.200000000000003 108.333 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.01 161.91 27.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 73.030000000000001 110.282 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.2 p-10 -41.71 116.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 75.409999999999997 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . 0.798 ' CZ ' HG11 ' A' ' 433' ' ' VAL . 36.3 p90 -109.43 73.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 74.439999999999998 111.091 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 64.83 16.68 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.565 1.166 . . . . 72.510000000000005 110.313 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.798 HG11 ' CZ ' ' A' ' 431' ' ' PHE . 18.4 m -90.68 -179.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 63.140000000000001 109.252 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.543 ' CE1' ' HG2' ' A' ' 438' ' ' GLU . 17.8 p80 -56.47 -48.06 77.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 75.129999999999995 109.633 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . -160.77 164.55 34.73 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.606 1.191 . . . . 61.240000000000002 110.972 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.53 -0.99 22.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 0.771 . . . . 64.109999999999999 110.3 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -100.94 67.23 0.48 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.47 1.106 . . . . 70.0 111.05 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.543 ' HG2' ' CE1' ' A' ' 434' ' ' HIS . 31.5 mt-10 -98.85 -75.08 0.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.385 0.697 . . . . 74.450000000000003 110.278 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.758 HD21 ' CZ ' ' A' ' 427' ' ' PHE . 0.0 OUTLIER -53.63 -173.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 75.030000000000001 109.321 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.651 ' N ' HD22 ' A' ' 439' ' ' LEU . 2.6 t -90.12 -70.08 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 74.109999999999999 109.955 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.567 ' N ' HD22 ' A' ' 439' ' ' LEU . 4.2 m -160.64 -174.15 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 75.209999999999994 108.278 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 468' ' ' GLN . 2.1 pp -86.5 -41.87 14.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 72.310000000000002 109.216 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.455 ' CB ' ' CB ' ' A' ' 472' ' ' ALA . 5.7 pt20 -72.39 -24.09 61.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.133 . . . . 70.219999999999999 110.303 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.517 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.7 m-20 -61.61 -20.2 63.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.321 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.556 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -85.24 -35.37 21.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 72.010000000000005 109.321 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.739 HD11 HG23 ' A' ' 469' ' ' VAL . 3.6 mt -62.82 -23.96 34.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 74.530000000000001 109.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -102.53 -57.72 2.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 75.140000000000001 109.299 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 15.8 m170 -64.71 -54.81 25.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 63.409999999999997 109.573 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.418 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.8 OUTLIER -79.99 154.12 28.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 74.450000000000003 109.994 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -65.95 -75.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 62.140000000000001 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.568 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 5.0 m-85 -124.74 136.89 54.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.239999999999995 110.988 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.938 HG23 HG12 ' A' ' 398' ' ' VAL . 17.7 mm -76.56 131.18 35.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.067 . . . . 62.310000000000002 109.286 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.886 HD12 ' CD2' ' A' ' 397' ' ' PHE . 5.7 mt -107.05 122.3 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 73.409999999999997 109.264 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.8 HD13 ' HB2' ' A' ' 465' ' ' SER . 2.2 mt -99.99 100.03 10.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.209999999999994 109.248 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.666 ' O ' HG23 ' A' ' 457' ' ' THR . 7.4 tp -64.85 82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.372 1.045 . . . . 74.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' ' 499' ' ' LEU . 8.6 mt -62.24 90.51 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 75.099999999999994 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 455' ' ' LEU . 43.3 p -124.43 152.22 43.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.422 1.076 . . . . 71.530000000000001 110.416 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.461 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 34.9 t -61.79 -13.84 27.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.147 . . . . 75.319999999999993 109.992 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -93.29 -22.61 18.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.385 1.053 . . . . 75.120000000000005 109.264 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 40.2 t80 -102.82 167.49 9.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.549 1.156 . . . . 62.329999999999998 111.037 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -112.61 133.5 54.62 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.542 1.151 . . . . 75.420000000000002 109.3 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.582 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.6 m -78.93 -60.69 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 75.109999999999999 108.24 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.426 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 1.7 mmm180 -39.64 -31.36 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 75.150000000000006 110.288 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 468' ' ' GLN . 0.5 OUTLIER -65.83 -71.07 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 72.450000000000003 109.328 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.8 ' HB2' HD13 ' A' ' 454' ' ' LEU . 6.9 p -39.16 -61.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 73.040000000000006 109.976 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.8 tm? -51.78 -40.06 59.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 74.319999999999993 109.291 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 464' ' ' LEU . 19.6 t60 -69.69 -24.29 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 109.61 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.584 ' HB3' HD22 ' A' ' 442' ' ' LEU . 5.7 mt-30 -85.64 -71.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 73.329999999999998 110.287 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.739 HG23 HD11 ' A' ' 446' ' ' ILE . 13.2 p -40.3 -39.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 63.539999999999999 109.268 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -51.61 -66.19 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 73.439999999999998 109.274 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.49 ' O ' ' CB ' ' A' ' 475' ' ' SER . 1.9 mt-30 -42.16 -46.26 4.31 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.378 1.049 . . . . 60.240000000000002 110.259 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.672 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -58.58 -44.0 89.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 75.420000000000002 109.293 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 9.5 mtt -64.57 -60.1 3.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 61.149999999999999 111.054 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.403 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.9 OUTLIER -66.06 -9.1 27.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 110.98 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.49 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 2.9 t -77.86 -52.51 8.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 54.409999999999997 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.439 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 9.6 p-10 -137.63 91.75 2.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.1 . . . . 44.399999999999999 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.487 ' CD2' ' O ' ' A' ' 473' ' ' MET . 16.1 mt -87.82 -40.41 14.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 72.25 109.295 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 13.0 t -60.91 -14.13 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 74.530000000000001 110.401 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.12 -78.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 52.310000000000002 110.349 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -113.93 -30.83 6.59 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 73.230000000000004 110.263 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 480' ' ' GLN . . . 36.94 51.19 1.53 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.504 1.127 . . . . 54.130000000000003 110.975 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.9 m -113.03 94.93 32.38 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.445 0.732 . . . . 73.310000000000002 110.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.488 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.09 0.33 9.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.668 1.878 . . . . 62.450000000000003 110.974 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.88 16.21 21.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.397 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.448 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 24.1 p -94.64 27.35 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 108.369 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.57 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.3 t -118.92 112.07 36.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 63.350000000000001 109.313 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.714 HG22 HD22 ' A' ' 513' ' ' LEU . 3.3 mm -127.17 95.81 35.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.462 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.1 Cg_endo -74.98 102.05 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 63.509999999999998 110.975 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.622 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -78.02 159.72 28.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 71.450000000000003 111.019 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -139.37 97.73 8.38 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 65.109999999999999 109.23 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.645 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 145.84 31.69 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.508 1.794 . . . . 72.109999999999999 110.967 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.686 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.5 mt -58.4 -17.17 18.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 72.099999999999994 109.292 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.523 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.4 mm-40 -71.37 -28.14 63.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 63.210000000000001 110.25 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.504 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 15.2 m -122.03 -176.31 3.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 63.020000000000003 109.933 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.04 163.13 30.12 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 61.130000000000003 109.955 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -30.14 7.64 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.579 1.831 . . . . 73.109999999999999 111.05 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.45 -28.2 69.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 64.299999999999997 109.331 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.461 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.2 mt-30 -69.52 -10.15 56.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.414 1.072 . . . . 74.040000000000006 110.324 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 456' ' ' LEU . 4.8 mt -100.69 167.22 10.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 54.109999999999999 109.321 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 29.2 m -68.82 159.03 33.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 75.549999999999997 110.077 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 42.0 t -69.81 -12.02 61.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.379 1.05 . . . . 71.040000000000006 110.027 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 505' ' ' SER . 11.3 m-20 -82.53 -35.67 27.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.376 1.048 . . . . 64.430000000000007 109.245 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.883 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.9 m -43.85 -26.55 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.554 1.159 . . . . 71.540000000000006 110.406 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -70.24 -47.39 61.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.16 . . . . 34.119999999999997 109.317 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 502' ' ' ASP . 14.6 t -74.95 -23.0 58.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 73.319999999999993 110.048 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.883 HD12 ' HA ' ' A' ' 503' ' ' THR . 33.0 mt -69.42 -35.81 76.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 54.43 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.28 19.41 18.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 72.019999999999996 109.327 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.3 t -59.37 103.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.138 . . . . 73.040000000000006 109.937 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.88 -24.17 10.34 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 61.219999999999999 110.963 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 40.3 mt -69.22 -175.46 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 74.209999999999994 109.238 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.467 HG13 ' HE2' ' A' ' 523' ' ' LYS . 5.8 t -123.02 106.99 18.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 61.439999999999998 109.306 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 9.1 ttp-105 -78.55 132.02 37.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.593 1.183 . . . . 54.539999999999999 110.252 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.714 HD22 HG22 ' A' ' 487' ' ' ILE . 0.2 OUTLIER -100.68 146.52 27.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 109.327 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.482 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.1 m-20 -145.61 131.37 19.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.143 . . . . 60.439999999999998 109.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.561 ' HB2' HD21 ' A' ' 492' ' ' LEU . 1.1 mt-10 -73.84 -3.4 28.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 71.030000000000001 110.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.686 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.3 p-80 -120.88 45.16 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 71.129999999999995 109.508 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 2.2 t -136.37 126.05 25.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 70.010000000000005 109.97 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -74.72 -2.01 24.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 64.319999999999993 110.282 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.61 -28.37 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 73.329999999999998 109.225 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.459 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 0.2 OUTLIER -39.21 -36.83 0.36 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 61.020000000000003 111.04 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.567 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.34 -47.65 75.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 72.109999999999999 109.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -72.32 -23.02 61.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 63.140000000000001 110.308 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.772 ' CD ' HD11 ' A' ' 519' ' ' ILE . 23.2 mmmt -70.82 -44.62 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 73.450000000000003 109.294 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.992 HG11 HD13 ' A' ' 419' ' ' LEU . 2.1 p -76.1 -43.22 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.403 1.065 . . . . 61.509999999999998 109.318 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.41 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -67.83 -9.77 47.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 74.420000000000002 109.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.3 m-20 -85.12 -53.8 5.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.55 1.156 . . . . 63.310000000000002 109.25 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.509 HG23 ' N ' ' A' ' 528' ' ' PHE . 11.8 t -79.14 -53.7 6.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.494 1.122 . . . . 61.539999999999999 110.363 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 453' ' ' ILE . 56.9 m-85 -86.67 59.02 5.39 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.575 1.172 . . . . 74.140000000000001 110.997 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.519 ' O ' HD23 ' A' ' 533' ' ' LEU . 56.2 mttt -69.54 153.75 95.45 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.4 1.062 . . . . 32.43 109.339 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.98 9.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.502 1.791 . . . . 73.019999999999996 110.986 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.402 ' HA ' ' NE2' ' A' ' 534' ' ' GLN . 1.6 p-80 -71.5 -11.11 60.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 73.349999999999994 109.649 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 536' ' ' ARG . 14.3 mmt180 -101.99 -52.5 3.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.239999999999995 110.342 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.737 HD12 ' ND2' ' A' ' 396' ' ' ASN . 2.5 mm? -42.39 -35.28 0.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 71.140000000000001 109.325 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.402 ' NE2' ' HA ' ' A' ' 531' ' ' HIS . 3.1 pt20 -84.82 -39.13 18.71 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.425 1.078 . . . . 72.200000000000003 110.283 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.596 ' HA ' ' HB2' ' A' ' 538' ' ' ALA . . . -71.86 -6.64 43.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.309 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 536' ' ' ARG . 7.2 mmm-85 -66.78 -37.26 84.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 73.129999999999995 110.331 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 540' ' ' TRP . 37.6 pttt -97.42 -18.4 19.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 71.439999999999998 109.316 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 535' ' ' ALA . . . -40.55 -34.09 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 72.209999999999994 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -70.65 -49.45 47.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 71.030000000000001 111.004 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 537' ' ' LYS . 18.0 m0 -44.51 -46.54 9.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 70.019999999999996 107.972 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 73.0 mtp85 -38.79 -45.07 1.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.596 1.185 . . . . 74.150000000000006 110.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm -81.23 -44.84 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 71.430000000000007 109.323 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -52.85 -20.47 3.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 110.304 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -87.64 -38.59 15.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 54.340000000000003 110.344 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 12.3 t70 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 74.239999999999995 109.337 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 10.3 mmt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.384 0.135 . . . . 63.539999999999999 110.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 -63.63 161.1 15.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 74.549999999999997 110.298 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.1 m -101.59 45.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 42.32 109.96 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 9.9 t 70.26 51.6 0.38 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.463 1.102 . . . . 73.200000000000003 109.981 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 22.7 t -59.28 111.46 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 70.219999999999999 110.043 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -87.67 -171.1 3.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 74.329999999999998 110.288 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -143.52 156.05 44.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 74.540000000000006 110.253 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 9.1 tppt? -148.41 141.14 24.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 74.329999999999998 109.243 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.8 153.31 18.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.083 . . . . 64.530000000000001 110.984 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 17.6 m-85 -132.72 171.07 14.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 72.140000000000001 110.982 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 533' ' ' LEU . 2.2 m-80 -122.42 -0.35 9.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.140000000000001 109.225 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.849 ' CE2' HD12 ' A' ' 416' ' ' LEU . 9.7 p90 -178.78 166.96 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 72.209999999999994 110.984 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.605 HG13 ' HB2' ' A' ' 427' ' ' PHE . 2.5 t -130.35 100.83 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 71.420000000000002 109.266 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.554 HG13 ' CD1' ' A' ' 397' ' ' PHE . 68.4 mt -76.58 96.69 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 73.310000000000002 109.331 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.917 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -76.28 116.36 16.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.428 1.08 . . . . 63.25 109.268 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.545 ' CB ' HD23 ' A' ' 455' ' ' LEU . 19.4 p80 -146.85 175.01 10.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 72.200000000000003 109.587 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -71.49 -163.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 74.430000000000007 109.315 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.76 -13.12 20.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 1.074 . . . . 33.340000000000003 110.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.43 16.71 23.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.277 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -123.6 30.63 6.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 61.420000000000002 109.264 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.523 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.3 tt0 -67.07 -76.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 73.319999999999993 110.301 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.535 ' CE1' HG13 ' A' ' 408' ' ' ILE . 5.7 p-80 -37.26 -42.02 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 109.622 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.535 HG13 ' CE1' ' A' ' 407' ' ' HIS . 69.7 mt -55.16 -58.55 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 71.200000000000003 109.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . . . . . . . . . . . -56.92 -49.99 73.91 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.51 1.131 . . . . 74.5 109.251 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.457 HD13 ' HG2' ' A' ' 406' ' ' GLU . 10.0 mp -60.21 -15.52 25.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 73.239999999999995 109.261 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 -78.62 -23.96 45.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.58 1.175 . . . . 71.120000000000005 110.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.586 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.8 t -90.1 -53.8 8.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 72.409999999999997 109.381 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.471 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 7.4 mtm180 -35.69 -40.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.567 1.167 . . . . 71.530000000000001 110.322 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -72.97 -53.15 11.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 75.430000000000007 110.268 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 412' ' ' VAL . 0.4 OUTLIER -53.97 -24.79 17.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 65.109999999999999 109.306 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.974 ' HB3' HG13 ' A' ' 421' ' ' VAL . 9.0 mt -69.7 -33.87 73.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 55.219999999999999 109.34 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -74.06 -8.12 54.97 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.591 1.182 . . . . 42.240000000000002 110.299 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -96.49 -3.11 43.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 50.049999999999997 109.287 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.695 HD13 HG11 ' A' ' 524' ' ' VAL . 3.7 mt -118.49 -42.19 2.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 72.219999999999999 109.306 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 166.98 -65.6 0.2 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.575 1.172 . . . . 73.120000000000005 111.015 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.974 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.2 p -52.14 143.04 26.08 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.386 0.698 . . . . 65.299999999999997 109.369 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.94 -162.59 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.547 1.814 . . . . 72.340000000000003 110.994 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.9 OUTLIER -71.4 -17.04 62.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.150000000000006 109.321 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 54.32 -95.03 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.429 1.08 . . . . 60.520000000000003 110.993 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.98 -170.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 0.765 . . . . 32.549999999999997 109.294 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.9 p -151.65 145.19 24.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 63.32 110.358 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.815 ' CD1' HD21 ' A' ' 439' ' ' LEU . 18.9 t80 -117.62 160.11 21.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 74.209999999999994 111.038 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 1.8 p -118.58 156.16 29.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 108.348 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 430' ' ' ASP . 40.5 tt0 -86.58 100.57 12.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 70.099999999999994 110.368 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 429' ' ' GLU . 0.0 OUTLIER 36.95 75.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 55.5 109.295 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . 0.52 ' CG ' ' O ' ' A' ' 431' ' ' PHE . 60.6 t80 -111.85 49.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.572 1.17 . . . . 73.140000000000001 110.956 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 57.03 18.32 3.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 72.209999999999994 110.24 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 4.7 m -50.78 179.94 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.243 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.28 -61.1 1.41 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 73.430000000000007 109.635 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 113.97 -14.51 21.6 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.663 1.227 . . . . 62.310000000000002 111.013 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 40.0 mmm-85 -122.8 66.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.572 0.807 . . . . 73.400000000000006 110.271 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -163.9 -46.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 62.539999999999999 111.045 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -112.55 -86.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 75.209999999999994 110.277 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.815 HD21 ' CD1' ' A' ' 427' ' ' PHE . 0.2 OUTLIER -100.74 145.88 27.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 70.519999999999996 109.319 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 23.3 t -86.26 -7.57 58.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 45.299999999999997 109.977 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . . . . . . . . . 2.1 t -179.29 156.48 0.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 73.010000000000005 108.27 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -59.85 -33.47 71.84 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.431 1.082 . . . . 70.129999999999995 109.321 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 12.8 mt-30 -83.4 -7.96 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.439999999999998 110.275 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.539 ' CG ' ' CD2' ' A' ' 448' ' ' HIS . 7.1 t0 -67.39 -28.51 67.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.585 1.178 . . . . 73.329999999999998 109.254 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.453 ' HB2' HG21 ' A' ' 398' ' ' VAL . . . -72.79 -5.75 40.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 72.239999999999995 109.275 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.546 ' CG2' ' NE2' ' A' ' 480' ' ' GLN . 8.6 mt -104.37 -21.96 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 75.120000000000005 109.333 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.54 ' OD1' ' CG ' ' A' ' 448' ' ' HIS . 3.8 p-10 -103.66 -12.38 17.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 62.219999999999999 109.297 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.54 ' CG ' ' OD1' ' A' ' 447' ' ' ASP . 5.3 m-70 -115.39 -59.14 2.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 109.576 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.453 ' OG ' ' CA ' ' A' ' 397' ' ' PHE . 0.1 OUTLIER -70.92 163.31 27.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.577 1.173 . . . . 64.209999999999994 109.989 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.572 ' HB1' ' CE1' ' A' ' 451' ' ' PHE . . . -75.68 -76.24 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 72.25 109.397 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.6 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 1.4 m-85 -123.72 136.16 54.28 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.449 1.093 . . . . 64.120000000000005 110.978 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.403 HD11 ' C ' ' A' ' 445' ' ' ALA . 2.7 mm -77.17 138.6 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 75.239999999999995 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.548 HG21 HG12 ' A' ' 399' ' ' ILE . 5.9 mt -111.93 113.8 45.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 75.340000000000003 109.257 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.916 HD12 ' HB2' ' A' ' 465' ' ' SER . 0.7 OUTLIER -92.7 93.03 8.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 63.329999999999998 109.274 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.608 HD12 ' HB3' ' A' ' 489' ' ' PHE . 9.6 tp -63.47 79.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 60.409999999999997 109.242 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.461 HD11 ' HB3' ' A' ' 488' ' ' PRO . 7.6 mt -62.34 84.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.426 1.079 . . . . 75.549999999999997 109.334 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.476 HG22 ' CD ' ' A' ' 491' ' ' PRO . 37.7 p -123.99 150.83 44.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 110.482 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.39 -15.46 36.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 72.349999999999994 110.069 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.77 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 50.4 m-20 -89.27 -18.32 27.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 62.119999999999997 109.301 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.917 ' CE1' HD22 ' A' ' 400' ' ' LEU . 50.7 t80 -115.54 168.97 9.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 73.450000000000003 111.063 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.569 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 5.5 t0 -107.76 130.17 54.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 53.5 109.317 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 3.5 m -92.92 -53.02 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 43.299999999999997 108.262 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -38.88 -45.74 1.21 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.083 . . . . 71.319999999999993 110.311 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 467' ' ' HIS . 2.1 tm? -73.1 -57.88 3.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 62.509999999999998 109.261 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.916 ' HB2' HD12 ' A' ' 454' ' ' LEU . 6.7 p -38.84 -62.95 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 64.540000000000006 110.025 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.506 HD13 ' CG ' ' A' ' 470' ' ' ASN . 2.3 tm? -52.32 -39.23 60.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 63.450000000000003 109.253 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 464' ' ' LEU . 2.0 t60 -58.44 -45.98 87.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 75.450000000000003 109.646 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.498 ' OE1' HD11 ' A' ' 400' ' ' LEU . 10.5 mt-30 -60.15 -70.4 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 64.319999999999993 110.302 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.006 HG21 HG22 ' A' ' 486' ' ' VAL . 8.7 p -45.01 -40.23 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.417 1.073 . . . . 73.25 109.245 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.506 ' CG ' HD13 ' A' ' 466' ' ' LEU . 0.9 OUTLIER -59.62 -74.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 73.430000000000007 109.28 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.55 ' O ' ' HE3' ' A' ' 474' ' ' MET . 4.3 mm100 -38.26 -47.53 1.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 25.43 110.29 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.697 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -56.41 -51.92 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 54.109999999999999 109.313 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.74 ' HE1' HG23 ' A' ' 486' ' ' VAL . 19.9 mtt -54.93 -74.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 74.129999999999995 111.01 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.617 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -46.93 -23.59 0.47 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.441 1.088 . . . . 73.099999999999994 111.065 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 15.0 t -77.92 -37.31 48.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.596 1.185 . . . . 72.230000000000004 110.045 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 473' ' ' MET . 49.6 t30 -137.41 92.73 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 65.120000000000005 109.318 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.0 mt -106.77 -25.66 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 72.439999999999998 109.256 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.2 t -61.63 -12.82 17.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 62.039999999999999 110.464 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -99.33 -69.81 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 72.219999999999999 110.242 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.546 ' NE2' ' CG2' ' A' ' 446' ' ' ILE . 0.0 OUTLIER -91.07 -51.11 5.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 65.430000000000007 110.292 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 51.64 23.66 10.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.523 1.139 . . . . 42.32 111.008 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.7 m -120.91 102.08 44.52 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 70.430000000000007 110.062 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.455 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -74.95 0.38 8.95 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 75.140000000000001 111.049 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -86.94 -4.34 59.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.604 1.19 . . . . 74.439999999999998 109.339 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 29.5 m -62.23 -19.89 63.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 72.400000000000006 108.292 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 1.006 HG22 HG21 ' A' ' 469' ' ' VAL . 39.3 t -74.41 123.51 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.593 1.183 . . . . 62.329999999999998 109.328 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.647 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.5 mm -127.12 93.65 41.04 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 70.030000000000001 109.331 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.461 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.97 100.0 1.31 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.542 1.812 . . . . 74.420000000000002 110.975 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.608 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.2 t80 -84.55 158.17 21.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 70.400000000000006 110.966 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.9 tm? -140.66 105.63 6.39 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 63.119999999999997 109.322 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.517 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.1 Cg_endo -75.06 172.24 16.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.541 1.811 . . . . 71.049999999999997 110.96 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.9 mp -75.69 -32.22 60.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 72.409999999999997 109.294 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.46 -37.67 83.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.183 . . . . 71.319999999999993 110.296 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.407 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 0.7 OUTLIER -105.06 166.11 10.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 72.239999999999995 110.009 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.524 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.12 167.11 14.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 45.210000000000001 109.964 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -34.28 3.93 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.556 1.819 . . . . 73.310000000000002 111.031 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.76 -27.9 69.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 70.030000000000001 109.307 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -73.12 -13.31 61.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.621 1.2 . . . . 70.209999999999994 110.295 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.737 ' CB ' HG21 ' A' ' 503' ' ' THR . 6.7 mt -93.06 169.87 10.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 63.039999999999999 109.345 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.2 t -63.3 -175.67 0.12 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.597 1.185 . . . . 72.439999999999998 109.978 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 -30.54 23.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 64.530000000000001 110.033 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 505' ' ' SER . 43.9 m-20 -76.54 -33.37 58.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.642 1.214 . . . . 72.319999999999993 109.318 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.892 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -45.0 -25.95 0.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 65.239999999999995 110.388 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.66 47.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 73.129999999999995 109.356 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.449 ' N ' ' O ' ' A' ' 502' ' ' ASP . 31.7 t -78.15 -15.8 58.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 110.009 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.892 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.7 mt -71.59 -28.3 63.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 63.520000000000003 109.247 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.0 pp -109.53 9.71 25.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 72.010000000000005 109.379 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 2.0 t -62.65 105.52 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.498 1.124 . . . . 64.209999999999994 110.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.6 -22.19 12.07 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.551 1.157 . . . . 74.200000000000003 110.95 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 11.1 mt -78.37 -174.37 3.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.412 0.713 . . . . 74.109999999999999 109.3 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.431 ' O ' HG12 ' A' ' 511' ' ' VAL . 13.8 t -111.19 92.69 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 71.230000000000004 109.261 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.426 ' NE ' ' OD1' ' A' ' 514' ' ' ASP . 1.1 tmm_? -59.74 102.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 71.219999999999999 110.345 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 513' ' ' LEU . 6.7 tp -81.84 145.87 30.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.066 . . . . 73.510000000000005 109.252 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.544 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.7 m-20 -140.38 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 61.329999999999998 109.294 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.402 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.3 tp10 -111.07 -30.0 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 61.109999999999999 110.356 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -94.17 21.84 6.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 70.400000000000006 109.578 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.3 t -106.04 135.37 47.61 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.609 1.193 . . . . 75.310000000000002 109.98 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -81.69 -1.44 46.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.461 1.101 . . . . 63.340000000000003 110.305 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.747 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.49 -25.6 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 73.409999999999997 109.29 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.544 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.2 t80 -40.17 -35.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 63.109999999999999 111.012 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -55.43 -47.33 76.15 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.464 1.103 . . . . 53.039999999999999 109.289 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.699 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.1 mpt_? -74.1 -19.37 60.61 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 70.099999999999994 110.319 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.747 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.8 mmmt -74.87 -44.96 46.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 73.219999999999999 109.267 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.695 HG11 HD13 ' A' ' 419' ' ' LEU . 1.2 p -73.97 -40.6 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 73.150000000000006 109.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.429 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.54 -4.58 34.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.438 1.086 . . . . 70.099999999999994 109.318 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 7.7 m-20 -95.12 -41.37 9.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.412 1.07 . . . . 64.129999999999995 109.288 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.6 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 13.2 t -94.3 -53.45 3.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 71.120000000000005 110.402 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 65.0 m-85 -88.53 54.94 3.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 75.450000000000003 111.0 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.873 ' O ' HD23 ' A' ' 533' ' ' LEU . 23.1 mttt -64.88 153.73 87.67 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 44.119999999999997 109.351 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.98 11.4 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.549 1.815 . . . . 71.25 110.987 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.652 ' CD2' ' CD ' ' A' ' 532' ' ' ARG . 52.8 p-80 -84.74 -12.86 52.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 71.430000000000007 109.62 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.652 ' CD ' ' CD2' ' A' ' 531' ' ' HIS . 0.7 OUTLIER -94.05 -19.19 21.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 110.231 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? -82.83 -53.12 6.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 74.040000000000006 109.277 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -67.75 -38.16 83.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 65.239999999999995 110.251 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 531' ' ' HIS . . . -73.78 -14.27 61.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 55.240000000000002 109.275 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . . . . . . . . . 19.6 tpt85 -58.05 -28.79 64.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.092 . . . . 62.030000000000001 110.342 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -91.93 -16.51 26.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 64.319999999999993 109.307 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 535' ' ' ALA . . . -50.9 -34.88 30.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 63.5 109.252 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 64.1 mtm -62.37 -32.57 73.39 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 53.32 110.936 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 1.4 t90 -87.74 -23.76 24.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 73.430000000000007 108.006 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -66.52 -27.89 68.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 61.549999999999997 110.307 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -51.94 -22.6 4.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 74.420000000000002 109.25 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -60.02 -38.74 83.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 71.209999999999994 110.26 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -82.6 -39.62 21.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.310000000000002 110.25 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.0 t0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 65.510000000000005 109.374 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 7.2 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.541 0.21 . . . . 55.030000000000001 111.013 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . 0.416 ' N ' ' CD ' ' A' ' 387' ' ' GLU . 0.7 OUTLIER -113.23 112.97 24.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.418 1.074 . . . . 71.099999999999994 110.28 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 7.1 t -105.94 17.43 23.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 73.150000000000006 110.027 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 58.1 m -130.68 18.53 5.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 71.409999999999997 109.956 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.99 97.6 9.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 61.219999999999999 109.991 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -90.9 -178.62 5.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 72.439999999999998 110.369 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -64.55 -174.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.485 1.116 . . . . 71.129999999999995 110.272 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -127.95 122.37 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 73.409999999999997 109.293 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -159.61 140.74 12.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 61.530000000000001 111.018 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.519 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 5.5 m-30 -99.43 133.03 44.33 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 62.329999999999998 111.005 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.639 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 16.4 m-20 -107.31 -5.48 17.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.43 1.081 . . . . 71.109999999999999 109.321 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.825 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.6 p90 -177.75 156.93 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 75.25 110.932 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.834 ' HB ' ' HB1' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -118.71 112.48 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 73.209999999999994 109.22 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 397' ' ' PHE . 76.7 mt -88.66 101.46 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.594 1.184 . . . . 71.140000000000001 109.356 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.627 HD22 ' CE1' ' A' ' 460' ' ' PHE . 0.2 OUTLIER -88.4 97.69 11.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 70.140000000000001 109.258 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.527 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 14.9 p80 -128.48 165.3 20.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 74.5 109.647 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.661 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -59.93 -166.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 109.307 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -100.22 -9.63 22.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.094 . . . . 64.340000000000003 110.309 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.67 17.16 22.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 72.230000000000004 109.227 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.661 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -128.21 36.57 4.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.565 1.165 . . . . 73.140000000000001 109.318 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.527 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 25.6 tt0 -69.82 -76.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 51.409999999999997 110.294 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.455 ' CE1' HG13 ' A' ' 408' ' ' ILE . 3.1 p-80 -38.21 -35.84 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 109.608 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.455 HG13 ' CE1' ' A' ' 407' ' ' HIS . 75.9 mt -58.06 -55.61 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 71.329999999999998 109.312 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.83 -48.31 74.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 60.240000000000002 109.259 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.2 mt -52.94 -22.26 5.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 65.530000000000001 109.292 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -82.71 -29.63 29.7 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.592 1.183 . . . . 62.420000000000002 110.161 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.578 HG21 ' CE2' ' A' ' 489' ' ' PHE . 11.5 t -78.07 -52.98 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 73.040000000000006 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.47 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 6.5 mtm180 -37.52 -50.69 1.13 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 110.201 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.46 ' O ' ' N ' ' A' ' 417' ' ' GLU . 81.7 mt-10 -66.73 -52.98 38.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 74.340000000000003 110.334 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -29.49 4.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 64.129999999999995 109.351 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.885 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.4 mt -71.49 -37.94 71.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 63.240000000000002 109.289 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.2 mt-10 -72.05 -8.17 53.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.591 1.182 . . . . 74.5 110.3 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.78 -6.88 55.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 73.010000000000005 109.333 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.54 ' CD1' HG11 ' A' ' 524' ' ' VAL . 1.8 mt -118.76 -44.92 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.433 1.083 . . . . 73.0 109.324 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 177.03 -72.74 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 73.319999999999993 110.987 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.885 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -45.24 141.58 3.37 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.544 0.791 . . . . 65.5 109.335 -179.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.66 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.6 Cg_endo -74.94 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 75.420000000000002 111.061 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.458 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 1.1 p30 -65.92 -19.11 65.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 61.140000000000001 109.315 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.701 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.58 -95.83 0.09 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.453 1.096 . . . . 73.150000000000006 110.95 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.03 -176.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.786 . . . . 71.219999999999999 109.323 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.479 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 5.2 p -152.13 134.15 14.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 53.299999999999997 110.399 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 1.098 ' CD1' HD21 ' A' ' 439' ' ' LEU . 8.6 t80 -109.61 160.44 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 71.109999999999999 110.975 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.455 ' SG ' ' CB ' ' A' ' 432' ' ' GLN . 1.4 t -115.68 144.28 44.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 74.409999999999997 108.263 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -89.98 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 73.140000000000001 110.286 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.79 172.84 15.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.1 . . . . 61.420000000000002 109.33 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 6.6 t80 42.48 30.49 0.22 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.509 1.13 . . . . 74.019999999999996 110.985 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . 0.455 ' CB ' ' SG ' ' A' ' 428' ' ' CYS . 30.8 mm-40 -125.98 1.52 7.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 72.120000000000005 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.45 -176.15 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.373 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.419 ' CE1' ' HG2' ' A' ' 438' ' ' GLU . 1.5 p80 -100.39 -36.33 9.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.425 1.078 . . . . 65.209999999999994 109.587 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 176.65 -111.62 0.35 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.554 1.158 . . . . 71.049999999999997 111.003 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.37 14.49 11.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 73.120000000000005 110.272 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -56.86 -26.83 55.36 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.531 1.145 . . . . 71.439999999999998 111.048 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.419 ' HG2' ' CE1' ' A' ' 434' ' ' HIS . 0.3 OUTLIER -113.99 -83.17 0.61 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.507 0.769 . . . . 65.010000000000005 110.302 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 1.098 HD21 ' CD1' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -128.24 134.71 49.03 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.568 1.167 . . . . 74.349999999999994 109.355 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 67.7 m -76.03 -36.36 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 65.019999999999996 110.047 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 439' ' ' LEU . 20.6 p -159.07 152.6 22.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 65.200000000000003 108.353 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.73 HD23 ' N ' ' A' ' 443' ' ' GLN . 0.1 OUTLIER -53.8 -34.4 59.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 64.319999999999993 109.359 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.73 ' N ' HD23 ' A' ' 442' ' ' LEU . 5.2 mt-30 -46.23 -27.78 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 63.240000000000002 110.297 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.3 m-20 -70.74 -41.3 72.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.342 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.834 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -74.26 -3.64 31.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 70.219999999999999 109.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . . . . . . . . . 4.1 mt -88.79 -39.08 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.414 1.071 . . . . 74.409999999999997 109.341 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.589 ' OD1' ' CD2' ' A' ' 448' ' ' HIS . 7.9 p30 -104.48 -9.65 18.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 63.119999999999997 109.298 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.589 ' CD2' ' OD1' ' A' ' 447' ' ' ASP . 3.9 m170 -115.14 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.085 . . . . 50.539999999999999 109.592 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -161.69 159.85 27.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 65.219999999999999 110.044 179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -66.99 -72.53 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.566 1.166 . . . . 25.210000000000001 109.245 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.404 ' CE1' ' HB1' ' A' ' 450' ' ' ALA . 13.0 m-85 -134.19 136.32 43.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 64.400000000000006 110.987 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.697 HG23 HG12 ' A' ' 398' ' ' VAL . 36.1 mm -69.41 128.6 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 70.209999999999994 109.32 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.825 HD12 ' CD1' ' A' ' 397' ' ' PHE . 98.2 mt -107.1 122.5 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 62.450000000000003 109.344 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.947 HD12 ' CB ' ' A' ' 465' ' ' SER . 0.6 OUTLIER -109.06 104.38 13.57 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 71.400000000000006 109.314 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 457' ' ' THR . 7.1 tp -68.78 79.73 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.239999999999995 109.311 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.551 HD22 ' HB3' ' A' ' 462' ' ' CYS . 8.6 mt -64.62 90.43 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.413 1.071 . . . . 73.120000000000005 109.206 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 455' ' ' LEU . 11.6 p -126.39 156.33 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 75.420000000000002 110.386 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.0 t -63.97 -12.19 35.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 65.150000000000006 109.969 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.4 m120 -97.12 -14.8 21.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 73.030000000000001 109.319 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.627 ' CE1' HD22 ' A' ' 400' ' ' LEU . 55.6 t80 -115.48 172.66 6.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.557 1.16 . . . . 71.329999999999998 110.944 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.474 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 0.8 OUTLIER -114.72 132.07 56.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 65.329999999999998 109.354 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.551 ' HB3' HD22 ' A' ' 456' ' ' LEU . 28.3 p -93.89 -42.4 9.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 51.450000000000003 108.337 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.48 ' HD3' HD11 ' A' ' 506' ' ' LEU . 20.1 mmm-85 -50.21 -35.4 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.435 1.084 . . . . 75.049999999999997 110.388 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 465' ' ' SER . 2.5 tm? -76.6 -74.14 0.25 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 75.510000000000005 109.257 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.947 ' CB ' HD12 ' A' ' 454' ' ' LEU . 1.0 OUTLIER -38.05 -30.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 74.239999999999995 110.006 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 464' ' ' LEU . 9.7 tt -77.79 -54.41 6.37 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.085 . . . . 75.219999999999999 109.313 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.574 ' CE1' ' HG3' ' A' ' 471' ' ' GLN . 0.6 OUTLIER -51.54 -49.68 61.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 62.43 109.674 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.465 ' HG3' HD22 ' A' ' 464' ' ' LEU . 11.3 mt-30 -58.01 -74.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 64.239999999999995 110.23 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.656 ' CA ' HD11 ' A' ' 442' ' ' LEU . 3.3 p -39.96 -36.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 74.430000000000007 109.351 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 473' ' ' MET . 0.9 OUTLIER -63.4 -74.93 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 62.530000000000001 109.243 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.593 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 6.9 mm-40 -39.34 -38.88 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 70.219999999999999 110.269 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -65.52 -50.41 65.35 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 74.099999999999994 109.203 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 470' ' ' ASN . 1.5 mmt -59.17 -53.14 61.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 73.120000000000005 110.93 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.644 ' HA ' HD21 ' A' ' 477' ' ' LEU . 0.8 OUTLIER -72.3 -3.17 22.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 73.140000000000001 111.013 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 1.6 t -90.18 -34.42 15.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 110.046 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.447 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 31.3 p-10 -124.65 65.31 1.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 109.383 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.644 HD21 ' HA ' ' A' ' 474' ' ' MET . 12.6 mt -72.0 -32.14 66.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 109.367 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 1.2 t -74.44 -2.41 25.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 72.530000000000001 110.439 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.416 ' HB3' ' NH1' ' A' ' 479' ' ' ARG . 4.9 mmm180 -95.95 -71.16 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 72.219999999999999 110.327 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.552 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.7 pp0? -119.49 -35.22 3.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 71.209999999999994 110.361 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.552 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 41.59 33.83 1.05 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.508 1.13 . . . . 53.130000000000003 111.099 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . 0.403 ' O ' ' SD ' ' A' ' 473' ' ' MET . 2.1 m -110.15 99.65 40.58 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.777 . . . . 62.219999999999999 109.994 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.11 0.55 8.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.553 1.817 . . . . 34.520000000000003 110.916 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -94.67 13.41 24.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 71.329999999999998 109.253 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.7 m -93.65 37.21 1.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 62.020000000000003 108.37 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.839 ' O ' HD13 ' A' ' 487' ' ' ILE . 29.8 t -129.46 141.69 45.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.094 . . . . 63.109999999999999 109.373 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.839 HD13 ' O ' ' A' ' 486' ' ' VAL . 7.3 mm -142.86 97.3 5.88 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 73.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.485 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 96.98 1.04 Allowed 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.5 1.789 . . . . 74.319999999999993 111.006 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.578 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.1 165.57 23.82 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.447 1.092 . . . . 74.409999999999997 111.046 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.492 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.1 tm? -149.47 103.14 3.28 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 71.129999999999995 109.324 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.492 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -74.99 170.26 20.8 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.452 1.764 . . . . 74.409999999999997 111.017 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.641 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.9 mp -76.23 -24.94 54.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 72.510000000000005 109.293 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.408 ' CB ' ' CD1' ' A' ' 408' ' ' ILE . 42.5 mm-40 -64.02 -35.86 82.08 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.495 1.122 . . . . 64.140000000000001 110.286 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.415 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 15.6 m -121.48 175.3 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.369 1.043 . . . . 62.340000000000003 110.025 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.452 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -143.96 166.05 21.21 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 75.230000000000004 110.067 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.482 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.94 -34.36 3.96 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.539 1.81 . . . . 73.120000000000005 111.072 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.33 -27.72 68.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 42.240000000000002 109.307 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.93 -9.32 58.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 61.219999999999999 110.334 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.851 HD12 HG21 ' A' ' 503' ' ' THR . 9.2 mt -94.03 161.81 14.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 70.109999999999999 109.361 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 52.2 m -62.64 162.43 10.63 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.132 . . . . 51.210000000000001 110.02 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 66.6 m -67.41 -9.52 42.48 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.486 1.116 . . . . 71.409999999999997 110.029 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.1 OUTLIER -83.73 -33.74 25.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 63.399999999999999 109.29 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.851 HG21 HD12 ' A' ' 499' ' ' LEU . 3.4 m -45.25 -31.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 54.299999999999997 110.357 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.37 94.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 71.340000000000003 109.222 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 502' ' ' ASP . 27.7 t -80.78 -15.37 56.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 55.149999999999999 109.988 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.833 HD12 ' HA ' ' A' ' 503' ' ' THR . 69.2 mt -77.22 -36.68 54.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 63.140000000000001 109.294 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.6 pp -111.36 16.92 20.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 71.239999999999995 109.325 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 4.1 p -64.16 105.77 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 44.409999999999997 109.987 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 112.07 -19.56 22.68 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.539 1.149 . . . . 73.409999999999997 110.967 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.67 -175.71 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.612 0.83 . . . . 71.140000000000001 109.244 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 40.7 t -115.47 94.64 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.481 1.113 . . . . 75.25 109.291 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.497 ' NH1' HD21 ' A' ' 507' ' ' LEU . 14.1 tpp180 -53.93 121.88 8.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.469 1.105 . . . . 74.329999999999998 110.28 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.599 HD22 ' CG2' ' A' ' 487' ' ' ILE . 6.0 tp -109.66 128.18 55.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 71.25 109.317 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.546 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -118.9 167.62 11.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 75.540000000000006 109.262 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.455 ' CG ' ' O ' ' A' ' 515' ' ' GLU . 18.5 tt0 -118.61 5.96 11.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 71.510000000000005 110.268 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.507 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -121.24 1.4 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.518 1.136 . . . . 70.239999999999995 109.698 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.23 136.87 32.83 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.459 1.099 . . . . 72.129999999999995 109.995 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -78.5 2.0 20.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 71.109999999999999 110.294 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.92 -27.4 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 75.239999999999995 109.301 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.546 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.92 -35.31 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 110.985 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.533 ' CB ' HD22 ' A' ' 419' ' ' LEU . . . -56.5 -47.2 79.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.045 . . . . 64.420000000000002 109.298 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.732 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.8 mpt_? -73.33 -20.32 60.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.443 1.09 . . . . 72.230000000000004 110.299 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 20.5 mmmt -74.07 -45.52 48.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 74.299999999999997 109.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.54 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.4 p -75.08 -40.08 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 63.0 109.354 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -72.66 -4.73 32.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 70.150000000000006 109.354 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -95.21 -40.23 9.68 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 75.230000000000004 109.336 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.546 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.2 t -94.0 -54.56 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 75.219999999999999 110.359 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.546 ' CD2' HG23 ' A' ' 527' ' ' THR . 62.9 m-85 -85.36 54.57 3.15 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 65.420000000000002 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.777 ' O ' HD23 ' A' ' 533' ' ' LEU . 38.6 mttt -67.87 154.36 93.72 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.401 1.063 . . . . 62.210000000000001 109.301 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 -36.42 2.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.437 1.756 . . . . 71.420000000000002 110.959 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.487 ' O ' ' CB ' ' A' ' 535' ' ' ALA . 2.8 p-80 -70.21 -11.74 61.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 62.439999999999998 109.605 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.452 ' CG ' ' HB2' ' A' ' 529' ' ' LYS . 30.7 mmm180 -94.98 -43.32 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 110.292 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.777 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.3 mm? -53.71 -26.3 22.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -99.76 -47.25 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 63.43 110.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -63.17 -13.61 39.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 74.329999999999998 109.356 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.496 ' HD2' ' HE2' ' A' ' 539' ' ' MET . 7.3 tpt85 -55.38 -31.33 61.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 74.450000000000003 110.343 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 -16.89 19.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 109.367 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -61.79 -18.59 60.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 60.420000000000002 109.273 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.496 ' HE2' ' HD2' ' A' ' 536' ' ' ARG . 7.2 ptt? -99.15 -34.65 10.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 70.120000000000005 110.942 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.439 ' CE3' ' HA ' ' A' ' 540' ' ' TRP . 0.1 OUTLIER -51.96 -25.06 7.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 74.420000000000002 108.058 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 542' ' ' LYS . 7.9 ptm180 -62.63 -39.42 93.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 72.340000000000003 110.278 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 545' ' ' ASP . 12.0 mmmm -52.98 -45.14 67.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 63.210000000000001 109.293 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -45.71 -26.67 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 63.130000000000003 110.325 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.34 -38.7 23.86 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.573 1.171 . . . . 72.239999999999995 110.324 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 542' ' ' LYS . 9.5 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.364 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.2 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.452 0.167 . . . . 64.299999999999997 110.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 37.7 mp0 -80.91 -174.66 4.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 72.099999999999994 110.293 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 41.3 m -117.01 49.99 1.13 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.162 . . . . 43.399999999999999 110.069 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 27.1 t 67.17 44.04 1.97 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 50.229999999999997 109.998 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.0 t -59.59 166.98 2.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 61.130000000000003 110.017 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -89.5 177.1 6.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 71.340000000000003 110.227 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -114.31 147.32 39.28 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.402 1.064 . . . . 64.409999999999997 110.286 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.565 ' HG2' ' CE2' ' A' ' 395' ' ' TYR . 5.2 tppp? -127.15 155.26 43.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 72.230000000000004 109.305 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.547 ' CD1' ' C ' ' A' ' 394' ' ' PHE . 0.3 OUTLIER -97.78 107.62 20.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 74.040000000000006 111.003 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.565 ' CE2' ' HG2' ' A' ' 393' ' ' LYS . 9.7 m-85 -138.3 162.23 34.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 75.409999999999997 111.048 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 396' ' ' ASN . 0.1 OUTLIER -113.12 -31.38 6.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 109.353 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.699 ' CE2' HD13 ' A' ' 416' ' ' LEU . 4.2 p90 -160.34 142.6 12.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 64.109999999999999 111.031 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.945 HG12 HG23 ' A' ' 452' ' ' ILE . 3.6 p -110.33 102.34 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 73.450000000000003 109.364 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.582 HG12 HG21 ' A' ' 453' ' ' ILE . 70.0 mt -70.29 96.96 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 73.010000000000005 109.269 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.752 ' CD1' HD12 ' A' ' 442' ' ' LEU . 9.0 mt -78.48 109.44 12.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 71.519999999999996 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.662 ' CB ' HD23 ' A' ' 455' ' ' LEU . 22.2 p80 -135.97 -173.05 3.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 61.130000000000003 109.598 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.601 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -81.62 -159.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.08 . . . . 53.43 109.291 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 5.6 ttt180 -98.84 -19.53 17.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 1.161 . . . . 72.140000000000001 110.328 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.01 16.6 24.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 54.439999999999998 109.315 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.507 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.2 OUTLIER -120.76 29.94 7.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 70.540000000000006 109.252 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.53 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 17.9 tt0 -72.41 -76.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.409999999999997 110.277 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.543 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.2 p-80 -39.09 -36.11 0.28 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 74.349999999999994 109.544 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.543 HG13 ' CE1' ' A' ' 407' ' ' HIS . 54.1 mt -58.11 -53.83 40.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.591 1.182 . . . . 70.239999999999995 109.262 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -65.24 -39.72 93.06 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.51 1.131 . . . . 62.350000000000001 109.252 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 410' ' ' LEU . 2.9 mt -59.17 -27.56 65.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 63.229999999999997 109.326 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 411' ' ' ARG . 8.6 ttp-105 -81.42 -14.61 56.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 73.519999999999996 110.278 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . . . . . . . . . 3.5 t -90.47 -52.66 10.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 73.049999999999997 109.322 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.474 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 6.9 mtm180 -38.22 -54.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.458 1.099 . . . . 73.209999999999994 110.358 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 415' ' ' LYS . 7.8 mt-10 -60.25 -59.25 5.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.17 . . . . 71.239999999999995 110.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -39.47 -48.4 1.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.427 1.08 . . . . 44.310000000000002 109.273 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.959 ' HB3' HG13 ' A' ' 421' ' ' VAL . 79.1 mt -47.46 -61.29 1.99 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 75.329999999999998 109.263 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 42.4 mt-10 -38.42 -29.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 74.519999999999996 110.273 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.47 -54.38 33.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 65.129999999999995 109.329 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.928 HD13 HG11 ' A' ' 524' ' ' VAL . 1.0 OUTLIER -68.28 -45.68 72.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 74.239999999999995 109.376 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 169.15 -70.02 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.463 1.102 . . . . 55.229999999999997 111.033 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.959 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.7 OUTLIER -39.63 142.61 0.62 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.531 0.783 . . . . 64.5 109.3 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.706 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.05 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 75.209999999999994 111.019 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.474 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.3 OUTLIER -68.85 -22.23 64.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.557 1.161 . . . . 51.25 109.268 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 60.47 -94.92 0.08 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.559 1.162 . . . . 72.310000000000002 110.998 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.4 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 72.219999999999999 109.244 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.496 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 2.0 p -153.0 143.71 22.78 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.378 1.049 . . . . 74.310000000000002 110.414 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.816 ' CG ' HD22 ' A' ' 439' ' ' LEU . 2.4 m-30 -117.67 112.74 20.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 74.510000000000005 110.998 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.432 ' SG ' ' CE1' ' A' ' 401' ' ' HIS . 56.6 m -84.61 118.65 24.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 74.219999999999999 108.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 32.7 tp10 -53.84 138.21 36.64 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.152 . . . . 55.030000000000001 110.283 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -120.05 162.19 19.69 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 109.334 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -95.1 53.36 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 64.540000000000006 110.953 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 62.63 32.94 16.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.397 1.061 . . . . 73.530000000000001 110.298 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 20.0 m -55.54 -172.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 75.329999999999998 109.351 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -42.44 -50.73 5.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.53 1.144 . . . . 71.239999999999995 109.65 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.55 -13.82 66.51 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.41 1.069 . . . . 44.109999999999999 110.95 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.19 61.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 70.109999999999999 110.323 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -167.67 -42.48 0.03 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.538 1.149 . . . . 71.310000000000002 111.037 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -83.9 -72.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.501 0.765 . . . . 71.530000000000001 110.254 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.816 HD22 ' CG ' ' A' ' 427' ' ' PHE . 3.2 pp -144.37 -173.94 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 54.509999999999998 109.236 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.701 ' N ' HD12 ' A' ' 439' ' ' LEU . 58.0 m -91.15 -65.24 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 70.230000000000004 109.969 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.635 ' N ' HD12 ' A' ' 439' ' ' LEU . 4.6 t -167.33 149.66 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 72.25 108.266 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.823 HD22 ' HB3' ' A' ' 468' ' ' GLN . 0.1 OUTLIER -53.87 -52.51 60.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 71.299999999999997 109.395 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.789 ' N ' HD23 ' A' ' 442' ' ' LEU . 1.6 pt20 -64.0 -11.22 26.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 55.329999999999998 110.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.477 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 1.4 t70 -75.24 -3.11 31.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 75.450000000000003 109.308 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.556 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -102.18 -45.17 5.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 42.130000000000003 109.256 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.733 HD12 HG23 ' A' ' 469' ' ' VAL . 1.7 tt -55.91 -18.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 72.340000000000003 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 448' ' ' HIS . 0.5 OUTLIER -82.7 -40.79 20.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 71.450000000000003 109.224 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.556 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 1.1 p-80 -123.67 49.08 1.77 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 74.239999999999995 109.556 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 4.3 t -157.89 122.82 4.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 73.439999999999998 110.001 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.579 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -40.16 -79.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.483 1.115 . . . . 63.420000000000002 109.32 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.579 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 2.1 m-85 -127.76 125.58 40.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 70.540000000000006 110.982 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.945 HG23 HG12 ' A' ' 398' ' ' VAL . 13.4 mm -71.95 129.58 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.573 1.171 . . . . 74.409999999999997 109.263 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.827 HD11 ' CE2' ' A' ' 528' ' ' PHE . 20.1 mt -100.72 140.0 20.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 75.010000000000005 109.321 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.51 HD13 ' OG ' ' A' ' 465' ' ' SER . 11.6 mt -117.67 104.31 10.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 70.430000000000007 109.218 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.662 HD23 ' CB ' ' A' ' 401' ' ' HIS . 7.4 tp -69.72 91.25 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.274 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 488' ' ' PRO . 6.1 mt -73.49 94.54 2.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 61.109999999999999 109.289 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.593 HG22 ' CD ' ' A' ' 491' ' ' PRO . 15.7 p -133.63 152.73 51.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 74.420000000000002 110.422 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 498' ' ' GLN . 29.8 t -61.43 -14.71 30.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 74.5 109.991 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.601 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 73.1 m-20 -90.16 -18.62 25.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.461 1.1 . . . . 73.510000000000005 109.357 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.505 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 81.6 t80 -114.34 172.97 6.69 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.407 1.067 . . . . 64.450000000000003 110.942 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.505 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 25.4 t0 -126.02 131.08 52.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 65.319999999999993 109.339 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 464' ' ' LEU . 5.1 t -93.95 -44.23 8.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 70.239999999999995 108.352 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.555 HH21 ' CG ' ' A' ' 502' ' ' ASP . 7.3 mmt180 -38.79 -30.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 73.209999999999994 110.309 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.0 OUTLIER -86.04 -69.33 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 73.230000000000004 109.319 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.51 ' OG ' HD13 ' A' ' 454' ' ' LEU . 3.9 p -40.78 -61.28 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.568 1.167 . . . . 43.240000000000002 109.977 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.515 HD13 ' O ' ' A' ' 466' ' ' LEU . 3.2 tm? -49.31 -37.9 25.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 73.519999999999996 109.281 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.6 OUTLIER -72.27 -28.56 63.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.445 1.09 . . . . 74.430000000000007 109.565 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.823 ' HB3' HD22 ' A' ' 442' ' ' LEU . 18.2 mt-30 -81.11 -69.47 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 72.109999999999999 110.285 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 446' ' ' ILE . 5.5 p -40.38 -50.9 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 72.420000000000002 109.266 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.488 ' N ' HG13 ' A' ' 469' ' ' VAL . 1.2 m-80 -42.65 -55.45 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.609 1.193 . . . . 74.319999999999993 109.321 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -66.89 -31.25 71.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 73.299999999999997 110.233 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.537 ' HB2' ' HB3' ' A' ' 443' ' ' GLN . . . -62.81 -17.59 61.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 70.219999999999999 109.311 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.771 ' HE3' HG23 ' A' ' 486' ' ' VAL . 7.7 mtt -90.32 -52.15 5.07 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.473 1.108 . . . . 72.329999999999998 111.034 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -8.27 30.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 71.439999999999998 110.991 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 3.0 t -106.17 -21.83 13.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.230000000000004 110.022 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 479' ' ' ARG . 28.2 t-20 -112.29 56.0 0.67 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 73.329999999999998 109.218 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . . . . . . . . . 4.1 mt -95.36 -18.09 21.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.072 . . . . 54.200000000000003 109.341 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.3 t -82.73 3.07 30.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 53.530000000000001 110.398 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.441 ' NH1' ' O ' ' A' ' 447' ' ' ASP . 10.2 tpt180 -112.56 -72.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 50.399999999999999 110.381 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 481' ' ' GLY . 3.7 pt20 -119.3 -36.71 3.31 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 71.129999999999995 110.338 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 56.24 49.78 66.12 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.47 1.106 . . . . 33.25 110.97 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 9.7 m -117.29 103.17 51.82 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.578 0.81 . . . . 53.219999999999999 109.97 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.406 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -74.98 1.16 8.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.434 1.755 . . . . 71.439999999999998 111.056 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -109.2 42.47 1.44 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 71.329999999999998 109.24 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.533 ' SG ' HD11 ' A' ' 446' ' ' ILE . 27.7 p -118.29 37.19 4.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 71.340000000000003 108.331 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.946 ' O ' HD13 ' A' ' 487' ' ' ILE . 43.6 t -125.39 134.78 65.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 73.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.946 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.6 mm -139.98 96.74 8.13 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 73.040000000000006 109.374 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.571 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -74.94 102.53 1.6 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.566 1.824 . . . . 73.409999999999997 111.007 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.497 ' CD2' ' HB3' ' A' ' 513' ' ' LEU . 5.4 t80 -77.89 169.58 18.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.415 1.072 . . . . 74.109999999999999 110.955 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.5 HD11 ' CD ' ' A' ' 496' ' ' PRO . 2.5 tt -156.93 104.26 1.93 Allowed Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.497 1.123 . . . . 55.5 109.283 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.593 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -74.92 171.59 18.0 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.465 1.771 . . . . 71.230000000000004 110.98 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.658 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.5 mp -77.86 -22.59 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 73.430000000000007 109.263 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.15 -40.28 97.1 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.582 1.176 . . . . 64.329999999999998 110.337 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.467 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 4.1 m -109.72 -178.63 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 72.019999999999996 110.023 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -145.8 165.42 21.05 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 73.510000000000005 109.996 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.5 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -74.91 -31.39 6.4 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.373 1.723 . . . . 73.120000000000005 111.018 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.56 -24.83 67.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.478 1.111 . . . . 75.299999999999997 109.291 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.419 ' CB ' ' HB2' ' A' ' 458' ' ' SER . 1.7 mt-30 -72.98 -9.16 58.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 52.399999999999999 110.302 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 503' ' ' THR . 3.2 mt -97.87 164.14 12.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 73.310000000000002 109.249 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 66.7 m -66.45 158.65 28.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.605 1.191 . . . . 64.219999999999999 110.0 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 1.8 m -67.15 -9.57 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 72.019999999999996 109.929 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.555 ' CG ' HH21 ' A' ' 463' ' ' ARG . 5.0 m-20 -80.96 -37.35 29.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 63.140000000000001 109.287 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.967 HG22 HD21 ' A' ' 507' ' ' LEU . 20.0 m -41.21 -52.61 3.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.108 . . . . 73.049999999999997 110.398 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -46.52 -41.3 13.98 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.486 1.116 . . . . 71.510000000000005 109.361 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.3 t -78.04 -27.28 48.71 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 54.43 109.989 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 503' ' ' THR . 60.4 mt -67.27 -29.7 69.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 73.230000000000004 109.304 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.967 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -124.03 27.12 7.29 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 55.210000000000001 109.291 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.39 61.4 1.23 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 74.319999999999993 109.997 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 162.8 -30.17 0.27 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.554 1.159 . . . . 63.420000000000002 110.999 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 486' ' ' VAL . 15.2 mt -73.07 -173.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 74.019999999999996 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.672 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.0 t -118.19 99.06 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.54 1.15 . . . . 73.25 109.311 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 512' ' ' ARG . 8.9 ttp-105 -67.58 121.04 15.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.12 . . . . 72.319999999999993 110.35 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.739 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.2 mp -85.73 130.86 34.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 64.340000000000003 109.306 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.547 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -129.38 138.92 51.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 73.400000000000006 109.31 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.469 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.6 tp10 -84.95 -21.46 29.57 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.483 1.115 . . . . 74.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.467 ' H ' ' CD2' ' A' ' 516' ' ' HIS . 0.3 OUTLIER -97.38 12.66 32.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 70.319999999999993 109.643 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 4.1 t -97.52 139.14 33.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 62.219999999999999 110.001 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.52 -5.45 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.164 . . . . 61.409999999999997 110.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.771 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.75 -26.01 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 42.240000000000002 109.339 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.3 OUTLIER -39.7 -36.18 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 61.43 110.995 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.29 -47.38 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 64.209999999999994 109.399 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.725 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.7 mpt_? -74.13 -19.07 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 72.340000000000003 110.293 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.771 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.1 mmmt -76.39 -41.46 47.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 73.530000000000001 109.246 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.928 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -77.17 -39.35 28.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 71.409999999999997 109.421 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -74.92 -3.3 31.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.137 . . . . 62.32 109.294 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -97.14 -37.7 10.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.117 . . . . 70.200000000000003 109.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.509 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 10.1 t -93.92 -53.8 3.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 74.209999999999994 110.412 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.827 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.2 m-85 -87.62 51.19 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 1.099 . . . . 73.219999999999999 111.055 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 525' ' ' ALA . 26.7 mttt -63.36 154.87 77.26 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 54.229999999999997 109.339 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -32.58 5.3 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.448 1.762 . . . . 62.210000000000001 110.979 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.418 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 2.9 p-80 -73.7 -6.94 49.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 72.25 109.591 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 531' ' ' HIS . 49.5 mmm-85 -100.14 -41.92 6.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.195 . . . . 72.420000000000002 110.319 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.55 ' N ' HD23 ' A' ' 533' ' ' LEU . 2.2 mt -67.2 -55.9 12.16 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.468 1.105 . . . . 63.329999999999998 109.266 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.516 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 3.5 pt20 -55.29 -40.46 71.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 62.409999999999997 110.354 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.544 ' HA ' ' HB2' ' A' ' 538' ' ' ALA . . . -74.22 -25.86 59.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 65.439999999999998 109.312 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.44 ' O ' ' CE ' ' A' ' 539' ' ' MET . 7.7 mmm180 -71.71 -41.01 69.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.566 1.166 . . . . 75.510000000000005 110.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.416 ' C ' ' N ' ' A' ' 539' ' ' MET . 15.3 pttt -97.92 -5.97 33.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 73.340000000000003 109.297 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.544 ' HB2' ' HA ' ' A' ' 535' ' ' ALA . . . -45.43 -26.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 109.244 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.44 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 37.6 mtm -64.6 -43.28 94.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 65.219999999999999 111.038 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 14.8 t90 -81.17 -20.29 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.902 -1.148 . . . . 44.210000000000001 107.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.445 ' C ' ' N ' ' A' ' 543' ' ' GLU . 33.3 mtp85 -71.47 -30.26 65.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 52.530000000000001 110.231 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -40.54 -29.88 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 74.510000000000005 109.263 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 541' ' ' ARG . 28.5 mm-40 -56.32 -49.81 73.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 63.119999999999997 110.332 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 541' ' ' ARG . 10.0 mm-40 -82.89 -35.41 26.19 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 70.230000000000004 110.252 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.595 1.184 . . . . 73.0 109.328 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 6.6 ptt? . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.587 0.232 . . . . 72.439999999999998 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.63 131.2 48.24 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.392 1.057 . . . . 73.329999999999998 110.309 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.9 p -103.75 9.35 37.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.602 1.189 . . . . 74.140000000000001 109.981 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 8.8 t 174.66 83.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.939 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 2.6 t -48.68 174.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 60.210000000000001 109.969 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -87.93 179.83 6.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.402 1.064 . . . . 75.150000000000006 110.3 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . 0.439 ' O ' ' CE1' ' A' ' 394' ' ' PHE . 20.1 tp60 -108.7 148.0 31.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 75.310000000000002 110.219 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.74 149.66 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 72.219999999999999 109.299 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.439 ' CE1' ' O ' ' A' ' 392' ' ' GLN . 7.6 m-85 -125.84 160.83 28.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 55.329999999999998 111.003 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -97.74 157.53 16.01 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.441 1.088 . . . . 74.099999999999994 110.933 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.613 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 0.0 OUTLIER -112.28 -27.63 8.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 55.219999999999999 109.345 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 1.01 ' CD2' HD12 ' A' ' 453' ' ' ILE . 34.2 p90 -173.26 137.79 0.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 72.5 111.018 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.998 HG12 HG23 ' A' ' 452' ' ' ILE . 0.5 OUTLIER -103.95 119.21 52.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.515 1.134 . . . . 75.120000000000005 109.33 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.517 ' C ' HD23 ' A' ' 400' ' ' LEU . 30.1 mt -79.69 137.06 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 70.329999999999998 109.304 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' ' 399' ' ' ILE . 10.9 mt -111.59 99.75 8.43 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.459 1.1 . . . . 54.32 109.354 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.693 ' HB3' HD23 ' A' ' 455' ' ' LEU . 15.4 p80 -141.42 168.7 19.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 65.420000000000002 109.588 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.461 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -72.37 -159.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 64.040000000000006 109.321 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 20.8 tpp85 -98.96 -11.38 21.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.176 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.7 16.75 24.1 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.589 1.181 . . . . 25.010000000000002 109.279 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.41 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.1 OUTLIER -124.06 25.39 7.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 70.150000000000006 109.376 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.502 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.2 tt0 -64.81 -76.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.465 1.103 . . . . 62.340000000000003 110.319 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.432 ' CE1' HG13 ' A' ' 408' ' ' ILE . 6.3 p-80 -38.06 -32.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.519999999999996 109.612 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 406' ' ' GLU . 35.5 mt -63.03 -57.48 11.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 75.310000000000002 109.248 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -62.77 -50.25 71.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.439 1.087 . . . . 61.100000000000001 109.257 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.463 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.5 mt -49.13 -29.8 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.587 1.179 . . . . 65.5 109.405 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 7.8 ttm-85 -77.03 -31.58 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 73.030000000000001 110.285 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 409' ' ' ALA . 2.9 t -73.78 -53.12 18.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.409999999999997 109.366 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.461 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.2 mtm180 -38.17 -52.66 1.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.393 1.058 . . . . 63.229999999999997 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 417' ' ' GLU . 27.7 mt-10 -66.05 -51.78 55.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 72.200000000000003 110.308 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.564 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -47.83 -31.83 5.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.285 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.901 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.7 mt -73.25 -37.54 66.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 61.240000000000002 109.3 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 414' ' ' GLU . 3.4 mt-10 -65.93 -8.7 23.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 75.420000000000002 110.312 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -95.78 -2.55 47.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 65.310000000000002 109.279 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.684 HD13 HG11 ' A' ' 524' ' ' VAL . 2.7 mt -118.24 -44.37 2.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.262 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.58 -74.97 0.08 OUTLIER Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.589 1.181 . . . . 54.539999999999999 110.99 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.901 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.6 OUTLIER -46.72 140.4 5.96 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.586 0.815 . . . . 72.200000000000003 109.33 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.6 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.0 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.52 1.8 . . . . 54.299999999999997 111.02 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -54.75 -45.46 74.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.429 1.081 . . . . 72.239999999999995 109.257 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.691 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 82.54 -96.47 1.86 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 53.109999999999999 111.052 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.691 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.88 179.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 64.140000000000001 109.328 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.466 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 6.4 p -151.57 109.97 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 61.119999999999997 110.4 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.718 ' CE1' HD21 ' A' ' 439' ' ' LEU . 2.0 t80 -99.91 130.19 46.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.579 1.174 . . . . 72.230000000000004 111.083 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 14.2 p -108.29 137.73 45.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 61.210000000000001 108.344 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.45 149.23 4.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 74.010000000000005 110.292 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -76.17 75.91 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 75.140000000000001 109.219 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -112.98 -25.49 8.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 74.409999999999997 111.092 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -103.15 -37.33 7.77 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 52.119999999999997 110.347 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 3.7 m -115.42 -176.87 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 64.549999999999997 109.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -100.0 -34.87 9.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 109.604 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.44 73.77 1.24 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.509 1.131 . . . . 42.409999999999997 111.037 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 54.1 mmt-85 -130.03 57.39 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 0.751 . . . . 73.430000000000007 110.302 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 137.73 -12.36 3.69 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.41 1.069 . . . . 63.240000000000002 111.032 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -68.39 -61.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 64.420000000000002 110.354 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.727 ' C ' HD12 ' A' ' 439' ' ' LEU . 1.3 pp -132.88 176.46 8.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 73.420000000000002 109.312 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.572 ' N ' HD12 ' A' ' 439' ' ' LEU . 75.4 m -76.98 -73.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 53.43 110.008 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 1.5 m -162.08 166.08 26.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 54.109999999999999 108.282 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.7 HD13 ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -67.13 -35.85 80.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.200000000000003 109.269 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.511 ' N ' HD13 ' A' ' 442' ' ' LEU . 11.3 pt20 -86.78 -5.74 59.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 65.530000000000001 110.367 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.448 ' CG ' ' CB ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -73.89 -5.13 39.21 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.574 1.171 . . . . 75.530000000000001 109.273 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.827 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -102.92 -31.46 10.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 23.34 109.301 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.623 ' N ' HD11 ' A' ' 452' ' ' ILE . 1.0 OUTLIER -71.97 -19.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.452 1.095 . . . . 74.230000000000004 109.23 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 448' ' ' HIS . 4.6 p-10 -103.44 -48.62 3.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 73.510000000000005 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.444 ' N ' ' CG ' ' A' ' 447' ' ' ASP . 5.9 t-160 -75.74 -55.67 5.42 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.528 1.143 . . . . 72.219999999999999 109.551 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -72.26 150.29 43.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 70.209999999999994 109.997 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -59.23 -75.75 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 71.510000000000005 109.344 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.54 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 19.4 m-85 -127.18 132.41 50.48 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.443 1.09 . . . . 74.439999999999998 110.993 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.998 HG23 HG12 ' A' ' 398' ' ' VAL . 21.4 mm -74.6 131.54 34.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 1.188 . . . . 74.150000000000006 109.278 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 1.01 HD12 ' CD2' ' A' ' 397' ' ' PHE . 4.7 mt -103.97 120.14 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 73.200000000000003 109.223 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 454' ' ' LEU . 1.5 mt -96.03 92.94 6.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 64.230000000000004 109.311 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.693 HD23 ' HB3' ' A' ' 401' ' ' HIS . 11.2 tp -63.45 79.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 73.310000000000002 109.277 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.48 HD22 ' SG ' ' A' ' 462' ' ' CYS . 12.5 mt -64.56 95.71 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 73.219999999999999 109.269 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.463 ' CG2' ' HG ' ' A' ' 455' ' ' LEU . 76.5 p -131.67 148.94 52.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 62.409999999999997 110.368 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.0 p -56.14 -19.04 11.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 73.120000000000005 109.981 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -88.0 -25.06 23.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.395 1.06 . . . . 64.409999999999997 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 465' ' ' SER . 40.6 t80 -103.01 166.47 10.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 74.420000000000002 110.973 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.431 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 5.9 t0 -111.79 135.02 52.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 70.230000000000004 109.266 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.807 ' O ' HD12 ' A' ' 466' ' ' LEU . 3.2 m -93.9 -51.44 4.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 41.450000000000003 108.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 462' ' ' CYS . 34.5 mtp180 -37.4 -30.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 72.019999999999996 110.322 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 462' ' ' CYS . 2.3 tm? -92.94 -52.17 4.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 75.209999999999994 109.274 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.576 ' HB2' ' CE2' ' A' ' 460' ' ' PHE . 1.2 t -40.34 -51.75 2.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 110.016 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.807 HD12 ' O ' ' A' ' 462' ' ' CYS . 3.5 mp -71.33 -55.16 8.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 75.129999999999995 109.16 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -45.04 -26.02 0.39 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.079 . . . . 72.420000000000002 109.591 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.438 ' CD ' ' CD1' ' A' ' 464' ' ' LEU . 73.8 mt-30 -79.92 -74.11 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 53.340000000000003 110.266 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 465' ' ' SER . 3.9 m -40.18 -51.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 62.109999999999999 109.316 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.481 ' N ' HG23 ' A' ' 469' ' ' VAL . 1.9 m-80 -40.6 -68.21 0.19 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 43.399999999999999 109.32 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.552 ' HA ' ' HE3' ' A' ' 474' ' ' MET . 27.6 mm-40 -47.74 -47.48 30.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.451 1.094 . . . . 74.430000000000007 110.323 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -49.96 -47.1 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 55.229999999999997 109.267 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.532 ' CE ' ' CG2' ' A' ' 486' ' ' VAL . 18.2 mtt -58.15 -71.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 73.450000000000003 110.962 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.804 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.7 -16.72 4.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 71.530000000000001 110.979 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 23.5 m -82.71 -27.98 30.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 42.43 110.013 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.595 ' ND2' HE22 ' A' ' 480' ' ' GLN . 13.2 t-20 -142.3 91.72 2.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 74.120000000000005 109.351 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.804 HD11 ' HA ' ' A' ' 474' ' ' MET . 5.9 mt -114.2 -16.79 12.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 63.200000000000003 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.495 ' O ' ' CZ ' ' A' ' 479' ' ' ARG . 0.7 OUTLIER -74.69 -3.2 29.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 61.509999999999998 110.367 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.52 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 8.5 mmp_? -107.23 -71.92 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 74.129999999999995 110.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.595 HE22 ' ND2' ' A' ' 476' ' ' ASN . 7.7 pm0 -116.34 -35.86 4.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.419 1.075 . . . . 72.25 110.281 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.491 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 41.07 51.43 4.23 Favored Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.503 1.127 . . . . 73.409999999999997 110.995 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.39 99.34 40.14 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.554 0.796 . . . . 53.539999999999999 110.037 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.501 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.3 Cg_endo -75.05 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.569 1.826 . . . . 51.409999999999997 110.994 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.21 22.55 14.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 54.420000000000002 109.278 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.5 m -95.21 32.73 1.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 53.119999999999997 108.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.586 HG13 HD11 ' A' ' 454' ' ' LEU . 3.1 t -119.64 113.17 40.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.569 1.168 . . . . 71.319999999999993 109.211 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.722 HG22 HD22 ' A' ' 513' ' ' LEU . 2.1 mm -119.88 93.2 47.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 64.129999999999995 109.291 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 17.9 Cg_endo -75.02 106.63 2.31 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.47 1.774 . . . . 73.230000000000004 110.965 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.553 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.1 t80 -83.64 165.09 19.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.587 1.179 . . . . 73.109999999999999 110.975 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 513' ' ' LEU . 1.5 tm? -145.32 97.52 4.74 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 61.420000000000002 109.276 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.46 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.4 Cg_endo -75.06 159.93 40.57 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.461 1.769 . . . . 65.209999999999994 110.985 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.488 HD21 ' HB3' ' A' ' 516' ' ' HIS . 1.6 mt -69.86 -10.08 57.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.43 1.081 . . . . 74.040000000000006 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -80.64 -26.29 37.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 63.350000000000001 110.282 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.414 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.8 m -124.43 178.8 5.2 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.555 1.16 . . . . 74.430000000000007 110.002 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.444 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.22 165.31 19.39 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 43.140000000000001 109.992 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -31.4 6.24 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.546 1.814 . . . . 75.340000000000003 110.973 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.18 -24.13 67.29 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 109.368 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 1.1 mt-30 -74.9 -9.64 58.74 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.466 1.104 . . . . 74.519999999999996 110.294 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 499' ' ' LEU . 3.5 mt -98.47 163.3 12.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 64.450000000000003 109.369 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.1 m -64.77 152.11 43.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 54.299999999999997 109.998 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.8 t -62.63 -13.33 30.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 64.150000000000006 110.016 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 505' ' ' SER . 40.2 m-20 -84.86 -35.43 22.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.623 1.202 . . . . 44.240000000000002 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.808 ' O ' HD13 ' A' ' 507' ' ' LEU . 28.5 m -42.84 -48.66 5.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 110.372 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . 0.434 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -51.63 -39.08 57.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 63.43 109.356 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 502' ' ' ASP . 15.5 t -80.89 -22.87 39.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 75.140000000000001 109.943 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 503' ' ' THR . 86.0 mt -69.2 -40.73 77.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 62.399999999999999 109.278 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.808 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.11 25.8 9.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.392 1.057 . . . . 73.209999999999994 109.302 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . 0.434 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.3 OUTLIER -56.92 105.52 0.22 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.566 1.166 . . . . 64.420000000000002 110.059 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 116.58 -45.8 1.24 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.457 1.098 . . . . 52.350000000000001 110.965 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.412 HD12 ' CB ' ' A' ' 507' ' ' LEU . 44.2 mt -40.65 131.99 2.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 60.350000000000001 109.307 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 511' ' ' VAL . 3.4 t -61.46 90.2 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 75.25 109.341 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.43 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 8.7 ttp-105 -66.32 126.29 28.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 72.010000000000005 110.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.722 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -92.87 140.56 29.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 45.210000000000001 109.291 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.563 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 1.6 m-20 -142.85 148.46 37.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 74.409999999999997 109.295 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -84.58 -30.55 24.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.583 1.177 . . . . 61.210000000000001 110.322 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.512 ' CD2' ' HB3' ' A' ' 514' ' ' ASP . 0.5 OUTLIER -85.94 5.47 32.97 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.387 1.054 . . . . 65.129999999999995 109.544 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . 0.404 ' CB ' ' HB2' ' A' ' 514' ' ' ASP . 7.1 t -94.67 118.96 32.54 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.635 1.21 . . . . 64.400000000000006 109.914 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -74.92 -1.95 24.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 73.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.795 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -110.07 -27.19 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 72.510000000000005 109.386 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.563 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.4 t80 -40.47 -34.51 0.35 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.113 . . . . 75.349999999999994 110.98 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.99 -46.8 81.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 74.519999999999996 109.248 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.75 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.6 mpt_? -73.36 -23.78 60.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 74.25 110.326 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.795 ' CD ' HD11 ' A' ' 519' ' ' ILE . 22.2 mmmt -70.94 -45.21 64.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 72.230000000000004 109.335 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.684 HG11 HD13 ' A' ' 419' ' ' LEU . 1.4 p -75.87 -43.01 39.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.454 1.096 . . . . 62.119999999999997 109.252 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -68.95 -9.03 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -87.25 -53.15 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 73.200000000000003 109.238 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.508 HG23 ' N ' ' A' ' 528' ' ' PHE . 9.0 t -77.21 -53.25 7.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 73.540000000000006 110.406 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.806 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.3 m-85 -88.18 54.87 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 73.129999999999995 110.894 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.609 ' O ' HD23 ' A' ' 533' ' ' LEU . 29.0 mttm -63.37 158.81 54.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 54.310000000000002 109.335 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -36.36 2.6 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.549 1.815 . . . . 73.530000000000001 111.016 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -78.59 -1.64 35.09 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.552 1.158 . . . . 51.229999999999997 109.62 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.447 ' O ' ' CG ' ' A' ' 536' ' ' ARG . 11.2 mmm180 -97.54 -43.29 7.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 75.400000000000006 110.209 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.9 mm? -62.71 -57.56 10.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 71.519999999999996 109.345 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.532 ' HB2' ' HZ1' ' A' ' 537' ' ' LYS . 4.3 pt20 -56.59 -40.62 75.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.371 1.045 . . . . 74.409999999999997 110.287 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -77.43 -15.66 59.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 74.430000000000007 109.245 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 532' ' ' ARG . 9.1 mmm180 -87.56 -22.32 24.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 75.329999999999998 110.272 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.538 ' HA ' ' CE3' ' A' ' 540' ' ' TRP . 3.2 pttm -90.57 -16.12 29.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 55.340000000000003 109.278 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -60.91 -21.71 63.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.395 1.059 . . . . 71.219999999999999 109.244 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 50.8 mtm -99.56 -18.4 17.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 70.319999999999993 111.031 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.538 ' CE3' ' HA ' ' A' ' 537' ' ' LYS . 44.6 m0 -76.32 -24.1 54.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 72.120000000000005 107.982 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -72.29 -25.75 61.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 71.430000000000007 110.354 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -59.14 -54.17 50.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 71.510000000000005 109.267 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -54.68 -21.92 12.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 71.540000000000006 110.311 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 36.8 mm-40 -80.33 -38.62 30.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 62.439999999999998 110.303 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 73.540000000000006 109.22 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 2.1 ptt? . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 120.533 0.206 . . . . 72.319999999999993 110.964 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -151.21 -174.21 4.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 74.430000000000007 110.258 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 2.4 t -81.79 2.85 28.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.369 1.043 . . . . 65.409999999999997 109.911 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 25.9 p -132.81 18.86 4.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 72.349999999999994 110.028 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 26.0 p -100.71 90.56 4.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 61.030000000000001 109.988 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -83.82 -179.02 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 110.289 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 393' ' ' LYS . 5.4 tp60 -119.37 145.4 46.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 74.349999999999994 110.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 392' ' ' GLN . 15.6 ttpp -40.46 154.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.496 1.123 . . . . 74.439999999999998 109.336 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -91.04 107.24 19.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 111.004 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 14.1 m-30 -95.21 135.4 36.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 45.240000000000002 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.67 ' CG ' HD11 ' A' ' 533' ' ' LEU . 4.8 t-20 -113.61 -11.28 13.02 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.451 1.094 . . . . 65.540000000000006 109.286 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.857 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.6 p90 -174.85 147.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 63.340000000000003 110.988 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 427' ' ' PHE . 2.4 t -112.89 108.88 26.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.28 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . . . . . . . . . 47.3 mt -73.42 91.73 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.581 1.176 . . . . 72.409999999999997 109.316 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.773 ' C ' HD12 ' A' ' 400' ' ' LEU . 0.3 OUTLIER -76.01 99.49 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.439999999999998 109.203 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.478 ' ND1' ' O ' ' A' ' 402' ' ' ALA . 20.0 p80 -132.19 -167.65 1.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 75.5 109.575 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.636 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -85.05 -166.53 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 73.040000000000006 109.296 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -99.5 -9.69 23.03 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 110.252 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.52 16.87 23.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.340000000000003 109.244 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.422 ' C ' ' CE1' ' A' ' 401' ' ' HIS . 0.1 OUTLIER -127.26 29.24 5.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 55.329999999999998 109.249 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 407' ' ' HIS . 27.9 tt0 -62.68 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 63.549999999999997 110.269 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 408' ' ' ILE . 25.6 p-80 -36.02 -45.05 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 73.409999999999997 109.573 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.532 HG13 ' CE1' ' A' ' 407' ' ' HIS . 65.4 mt -53.23 -59.0 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 61.509999999999998 109.314 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -55.78 -49.73 72.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 70.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 10.0 mp -61.94 -14.52 35.46 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.437 1.086 . . . . 74.340000000000003 109.219 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.432 HH21 HD13 ' A' ' 492' ' ' LEU . 25.1 ttp85 -81.38 -18.83 44.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.150000000000006 110.333 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.755 HG21 ' CE1' ' A' ' 489' ' ' PHE . 6.6 t -95.03 -53.06 8.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.342 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.469 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 9.7 mtm180 -35.65 -38.45 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 75.25 110.321 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 415' ' ' LYS . 83.9 mt-10 -75.86 -64.19 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 40.310000000000002 110.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -39.38 -54.11 1.92 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 51.439999999999998 109.259 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.923 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.2 mt -39.84 -54.51 2.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 75.109999999999999 109.279 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 416' ' ' LEU . 10.9 mt-10 -36.81 -45.37 0.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 75.450000000000003 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -51.88 -51.82 54.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 62.140000000000001 109.326 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.955 HD13 HG11 ' A' ' 524' ' ' VAL . 2.5 mt -65.96 -45.97 79.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.386 1.054 . . . . 73.540000000000006 109.239 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 163.85 -68.63 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 110.97 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.923 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.17 137.34 0.96 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.421 0.718 . . . . 75.310000000000002 109.35 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.0 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 63.039999999999999 110.989 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.442 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.9 p30 -59.48 -43.93 93.14 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.448 1.093 . . . . 72.439999999999998 109.345 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.671 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 80.38 -97.96 1.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 72.329999999999998 111.028 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.671 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.91 -176.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 63.149999999999999 109.336 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.469 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 6.9 p -151.19 149.15 29.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 61.210000000000001 110.37 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.726 ' CE2' HD21 ' A' ' 439' ' ' LEU . 5.3 t80 -121.75 150.82 41.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.25 110.953 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.561 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 6.6 p -128.98 150.52 50.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 73.219999999999999 108.3 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . 0.433 ' O ' ' N ' ' A' ' 431' ' ' PHE . 11.6 pt-20 -84.83 4.52 32.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 71.430000000000007 110.345 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -40.6 98.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 64.319999999999993 109.316 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . 0.433 ' N ' ' O ' ' A' ' 429' ' ' GLU . 23.0 t80 -106.28 -17.22 14.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 75.120000000000005 110.955 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -49.82 -25.27 2.94 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 64.109999999999999 110.285 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.756 HG23 ' H ' ' A' ' 435' ' ' GLY . 1.8 m -83.28 175.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 42.109999999999999 109.238 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.401 ' CE1' ' HA3' ' A' ' 437' ' ' GLY . 1.8 p80 -44.31 -41.72 6.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 62.25 109.554 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . 0.756 ' H ' HG23 ' A' ' 433' ' ' VAL . . . 96.15 -28.62 12.22 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.598 1.186 . . . . 51.420000000000002 110.957 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -105.83 52.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 0.782 . . . . 74.450000000000003 110.278 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . 0.401 ' HA3' ' CE1' ' A' ' 434' ' ' HIS . . . -175.58 36.58 0.1 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.445 1.091 . . . . 52.350000000000001 111.138 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.99 -71.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 73.209999999999994 110.344 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.726 HD21 ' CE2' ' A' ' 427' ' ' PHE . 2.3 pp -130.04 -164.54 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.523 1.139 . . . . 72.519999999999996 109.21 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.455 ' N ' HD12 ' A' ' 439' ' ' LEU . 8.6 t -76.43 -71.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 72.319999999999993 109.999 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.471 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 0.5 OUTLIER -159.79 -169.85 2.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 108.306 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.864 HD11 ' HB3' ' A' ' 468' ' ' GLN . 0.2 OUTLIER -90.54 -60.49 1.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 44.119999999999997 109.354 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.732 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 43.8 mt-30 -53.52 -19.57 3.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 63.350000000000001 110.303 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.545 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 4.2 p-10 -52.47 -34.43 48.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.641 1.213 . . . . 75.140000000000001 109.336 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.807 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -82.05 -29.57 31.82 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.569 1.168 . . . . 74.329999999999998 109.23 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 469' ' ' VAL . 34.8 mt -77.26 -20.32 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 72.420000000000002 109.319 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 443' ' ' GLN . 19.8 t0 -103.75 -64.24 1.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 74.239999999999995 109.323 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 4.0 m170 -56.11 -61.55 2.31 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.57 1.168 . . . . 44.5 109.606 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 162.2 29.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 43.229999999999997 109.955 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.538 ' HB3' ' ND2' ' A' ' 396' ' ' ASN . . . -76.46 -73.2 0.29 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 74.400000000000006 109.318 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.606 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 7.1 m-85 -122.25 135.8 54.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 111.007 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.807 HD11 ' C ' ' A' ' 445' ' ' ALA . 9.4 mm -77.53 136.01 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 74.5 109.342 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.857 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.2 mt -111.48 122.62 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.396 1.06 . . . . 73.420000000000002 109.261 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.787 HD13 ' OG ' ' A' ' 465' ' ' SER . 3.3 mt -104.72 110.81 23.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 109.366 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.513 HD12 ' HA ' ' A' ' 455' ' ' LEU . 7.0 tp -74.48 81.9 1.96 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 70.120000000000005 109.27 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.587 HD11 ' HB3' ' A' ' 488' ' ' PRO . 6.1 mt -68.84 88.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 71.420000000000002 109.276 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.582 HG22 ' CD ' ' A' ' 491' ' ' PRO . 24.7 p -125.73 158.78 34.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 75.299999999999997 110.419 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.6 p -62.14 -13.5 27.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 109.937 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.636 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.4 m120 -97.5 13.36 30.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 70.439999999999998 109.337 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 400' ' ' LEU . 40.5 t80 -150.21 164.98 34.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 51.119999999999997 111.033 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.443 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 14.2 t0 -114.64 128.71 56.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 55.240000000000002 109.28 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.574 ' SG ' HG23 ' A' ' 503' ' ' THR . 19.3 p -82.83 -41.73 18.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 54.420000000000002 108.201 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -39.22 -29.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.604 1.19 . . . . 63.310000000000002 110.196 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 468' ' ' GLN . 1.8 tm? -87.23 -57.49 2.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 63.450000000000003 109.25 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.787 ' OG ' HD13 ' A' ' 454' ' ' LEU . 5.0 p -38.52 -35.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.393 1.058 . . . . 71.219999999999999 110.042 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.408 ' HA ' HG12 ' A' ' 469' ' ' VAL . 2.6 tt -76.81 -59.69 2.67 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.473 1.108 . . . . 64.519999999999996 109.341 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.422 ' O ' ' ND1' ' A' ' 467' ' ' HIS . 1.4 t60 -45.65 -28.32 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 74.030000000000001 109.619 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.864 ' HB3' HD11 ' A' ' 442' ' ' LEU . 4.1 mm100 -76.57 -75.6 0.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 72.400000000000006 110.395 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.764 HG21 HG22 ' A' ' 486' ' ' VAL . 9.6 p -40.14 -30.04 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 71.129999999999995 109.266 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.443 ' O ' ' N ' ' A' ' 473' ' ' MET . 1.2 m-80 -74.59 -69.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 71.310000000000002 109.256 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -44.6 -26.22 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 110.251 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.732 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -87.52 -40.74 14.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.295 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.566 ' SD ' HG22 ' A' ' 469' ' ' VAL . 12.7 mtt -61.97 -60.72 3.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.375 1.047 . . . . 72.019999999999996 110.945 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.739 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -61.39 -12.99 16.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 74.140000000000001 110.949 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.405 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 14.0 t -85.76 -26.37 25.86 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.583 1.177 . . . . 73.400000000000006 109.973 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.439 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 45.0 t30 -142.41 88.69 2.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 72.439999999999998 109.356 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.739 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -110.58 -21.59 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 64.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 4.4 t -73.99 -2.0 22.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 60.329999999999998 110.404 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.439 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 15.2 mmt-85 -104.65 -66.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 71.0 110.315 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.427 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -111.69 -33.93 6.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 63.32 110.293 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.67 37.08 0.51 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.545 1.153 . . . . 62.32 111.033 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.9 m -111.92 96.97 36.21 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.463 0.743 . . . . 74.349999999999994 110.003 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.549 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 74.510000000000005 110.99 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -99.66 20.4 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 52.130000000000003 109.223 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 1.6 m -93.66 21.17 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 64.239999999999995 108.245 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.764 HG22 HG21 ' A' ' 469' ' ' VAL . 5.7 t -103.54 123.65 57.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 65.420000000000002 109.362 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.619 ' CG2' HD22 ' A' ' 513' ' ' LEU . 6.1 mm -125.47 94.52 42.69 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.215 . . . . 55.140000000000001 109.265 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.587 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 93.57 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 71.099999999999994 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.755 ' CE1' HG21 ' A' ' 412' ' ' VAL . 8.1 t80 -77.93 151.63 33.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.158 . . . . 71.200000000000003 111.017 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.588 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.6 tm? -138.72 107.15 7.62 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.436 1.085 . . . . 72.329999999999998 109.364 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.588 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.3 Cg_endo -75.01 170.52 20.24 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 74.150000000000006 110.989 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.656 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.7 mp -76.71 -23.0 53.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 73.200000000000003 109.323 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -66.48 -35.68 80.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 70.209999999999994 110.315 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.487 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 6.3 m -121.59 174.79 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 75.310000000000002 110.033 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.575 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -140.32 164.83 34.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 73.299999999999997 109.994 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.41 ' HG3' ' NH1' ' A' ' 512' ' ' ARG . 18.3 Cg_endo -74.99 -34.04 4.13 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.573 1.828 . . . . 75.409999999999997 111.007 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -61.25 -27.15 68.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 73.099999999999994 109.277 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -69.37 -13.52 62.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 73.430000000000007 110.342 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.741 ' CD1' HG21 ' A' ' 503' ' ' THR . 7.9 mt -89.32 166.79 13.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 51.439999999999998 109.251 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.8 t -64.63 162.42 15.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 70.549999999999997 110.068 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 45.9 m -69.5 -8.53 47.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.398 1.061 . . . . 44.0 109.967 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 12.6 m-20 -84.57 -36.93 21.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 73.230000000000004 109.27 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.832 ' HA ' HD12 ' A' ' 506' ' ' LEU . 98.3 m -41.62 -43.86 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.523 1.139 . . . . 72.409999999999997 110.449 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.18 -44.67 75.48 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.546 1.154 . . . . 63.210000000000001 109.314 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.6 m -75.7 -17.85 59.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 75.209999999999994 110.073 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.832 HD12 ' HA ' ' A' ' 503' ' ' THR . 65.4 mt -77.76 -37.24 49.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.319999999999993 109.292 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.752 ' O ' HD12 ' A' ' 507' ' ' LEU . 1.7 pp -109.85 15.99 22.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 75.340000000000003 109.229 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.6 p -64.47 104.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.41 1.069 . . . . 65.519999999999996 110.059 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 114.3 -30.34 7.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 70.409999999999997 111.041 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.689 HD13 ' HB ' ' A' ' 486' ' ' VAL . 3.5 mt -63.06 -173.04 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 0.754 . . . . 73.420000000000002 109.331 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.622 HG13 ' HE2' ' A' ' 523' ' ' LYS . 30.3 t -114.91 86.97 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 73.530000000000001 109.281 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.441 ' NH2' ' OD1' ' A' ' 514' ' ' ASP . 3.3 tmm_? -52.04 110.02 0.44 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 74.329999999999998 110.234 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.744 HD23 ' HD2' ' A' ' 489' ' ' PHE . 7.9 tp -89.71 132.27 35.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 73.549999999999997 109.226 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.549 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.2 m-20 -120.79 167.68 12.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 73.109999999999999 109.305 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 489' ' ' PHE . 11.3 tp10 -121.0 6.74 10.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 73.120000000000005 110.264 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -133.43 10.29 4.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.56 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 33.3 t -88.55 162.32 16.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 73.299999999999997 110.05 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.7 pm0 -100.41 -7.6 24.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 72.319999999999993 110.212 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.775 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.83 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 71.329999999999998 109.319 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.553 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.4 t80 -39.59 -35.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 75.219999999999999 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.446 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -55.56 -47.51 76.27 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.386 1.054 . . . . 53.32 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.734 ' HB2' HD12 ' A' ' 519' ' ' ILE . 3.6 mpt_? -73.45 -19.57 60.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.382 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.775 ' CD ' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -75.57 -43.04 50.46 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.418 1.073 . . . . 62.450000000000003 109.361 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.955 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -75.72 -38.78 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.573 1.171 . . . . 72.230000000000004 109.351 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.87 -3.21 30.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 72.310000000000002 109.236 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -99.56 -42.63 6.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 70.230000000000004 109.309 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.606 ' O ' ' CZ ' ' A' ' 451' ' ' PHE . 3.6 t -87.35 -51.41 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 74.120000000000005 110.355 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.686 ' CE2' HD11 ' A' ' 453' ' ' ILE . 57.7 m-85 -92.84 64.5 4.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.584 1.178 . . . . 75.239999999999995 110.991 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.639 ' O ' HD23 ' A' ' 533' ' ' LEU . 27.9 mttt -71.22 157.05 90.98 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.579 1.174 . . . . 73.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 -42.33 0.51 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 72.439999999999998 111.02 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.6 ' CE1' ' NE ' ' A' ' 532' ' ' ARG . 6.3 p80 -61.9 -13.02 20.9 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.605 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.6 ' NE ' ' CE1' ' A' ' 531' ' ' HIS . 12.7 mmt180 -102.03 -25.47 13.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.266 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.67 HD11 ' CG ' ' A' ' 396' ' ' ASN . 0.2 OUTLIER -74.51 -51.84 13.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 61.140000000000001 109.278 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 535' ' ' ALA . 0.0 OUTLIER -69.55 -25.41 64.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 71.030000000000001 110.305 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.742 ' O ' ' HB3' ' A' ' 538' ' ' ALA . . . -70.29 -8.76 52.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 109.328 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.533 ' NH2' ' HB2' ' A' ' 450' ' ' ALA . 4.6 tpp85 -56.92 -44.69 82.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.57 1.168 . . . . 74.230000000000004 110.315 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 541' ' ' ARG . 11.3 pttt -71.5 -10.76 60.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 72.310000000000002 109.216 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.742 ' HB3' ' O ' ' A' ' 535' ' ' ALA . . . -70.96 -48.89 50.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 62.240000000000002 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -84.16 -43.62 14.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 71.109999999999999 111.049 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.445 ' O ' ' N ' ' A' ' 543' ' ' GLU . 2.1 t90 -52.12 -50.92 60.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.983 -1.118 . . . . 73.420000000000002 107.983 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 537' ' ' LYS . 12.1 mtp85 -42.1 -28.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 64.099999999999994 110.278 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.4 ' N ' ' C ' ' A' ' 540' ' ' TRP . 9.2 mmtp -69.39 -49.88 51.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 71.409999999999997 109.228 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 540' ' ' TRP . 7.8 mm-40 -62.11 -20.87 64.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 71.109999999999999 110.312 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -68.31 -27.74 66.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 110.345 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 33.1 t0 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 64.430000000000007 109.358 179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.5 tmm? . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.473 0.178 . . . . 52.240000000000002 110.95 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -93.38 166.28 12.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 64.400000000000006 110.24 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.66 83.51 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 63.340000000000003 110.045 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 26.5 p 43.12 55.14 4.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 74.109999999999999 110.024 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 3.4 m -57.0 92.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 110.021 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.92 -173.5 3.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 75.400000000000006 110.279 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -39.01 122.52 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 72.230000000000004 110.291 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.574 ' NZ ' ' CE1' ' A' ' 395' ' ' TYR . 0.9 OUTLIER -41.98 135.72 2.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 50.539999999999999 109.314 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -159.5 173.72 15.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 62.399999999999999 110.973 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.574 ' CE1' ' NZ ' ' A' ' 393' ' ' LYS . 33.9 m-85 -116.88 128.95 55.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 110.985 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.679 ' OD1' HD12 ' A' ' 533' ' ' LEU . 39.7 m-80 -113.46 -9.02 13.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 73.099999999999994 109.243 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.94 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.8 p90 -178.65 128.2 0.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 110.983 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.849 HG12 HG23 ' A' ' 452' ' ' ILE . 0.4 OUTLIER -88.59 114.67 27.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 71.530000000000001 109.386 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 39.9 mt -84.99 90.22 2.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 109.281 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.977 HD12 ' CZ ' ' A' ' 460' ' ' PHE . 0.1 OUTLIER -63.31 97.6 0.13 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.556 1.16 . . . . 64.340000000000003 109.28 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.641 ' CB ' HD23 ' A' ' 455' ' ' LEU . 2.4 p80 -130.23 -178.75 4.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 63.32 109.539 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.555 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -104.01 156.62 17.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 71.299999999999997 109.202 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.767 ' NE ' ' HB2' ' A' ' 404' ' ' ALA . 0.0 OUTLIER -61.03 -11.81 9.56 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.349999999999994 110.322 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.767 ' HB2' ' NE ' ' A' ' 403' ' ' ARG . . . -107.03 18.24 22.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 109.2 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.642 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.8 OUTLIER -134.21 25.23 3.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 71.340000000000003 109.355 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.528 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 21.5 tt0 -62.34 -74.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 74.540000000000006 110.314 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 406' ' ' GLU . 35.8 p-80 -36.44 -33.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.544 1.152 . . . . 73.129999999999995 109.595 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.642 HD12 ' CG ' ' A' ' 405' ' ' ASP . 30.2 mt -65.29 -60.69 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.471 1.107 . . . . 64.230000000000004 109.337 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 412' ' ' VAL . . . -57.64 -52.18 66.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 64.340000000000003 109.307 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 410' ' ' LEU . 1.8 mt -47.79 -24.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 109.281 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 409' ' ' ALA . 19.9 ttp180 -79.17 -36.7 39.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.389 1.056 . . . . 71.540000000000006 110.293 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.614 ' CG2' ' CE1' ' A' ' 489' ' ' PHE . 3.5 t -70.73 -53.42 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 71.120000000000005 109.258 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.4 mtm180 -37.25 -49.8 0.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 74.120000000000005 110.294 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 417' ' ' GLU . 44.3 mt-10 -69.2 -51.73 35.01 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.111 . . . . 71.109999999999999 110.327 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.98 -25.93 3.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 71.019999999999996 109.37 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.848 ' HB3' HG13 ' A' ' 421' ' ' VAL . 69.3 mt -76.78 -35.75 57.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 72.409999999999997 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.444 ' OE2' ' HA ' ' A' ' 422' ' ' PRO . 5.9 mt-10 -74.02 -8.46 56.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 64.030000000000001 110.344 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -89.57 -8.41 52.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 51.539999999999999 109.336 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.595 HD13 HG11 ' A' ' 524' ' ' VAL . 1.2 mt -117.01 -44.84 2.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 71.109999999999999 109.335 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 175.2 -71.76 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.51 1.131 . . . . 35.219999999999999 110.941 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.848 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.5 OUTLIER -43.9 138.94 3.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 63.219999999999999 109.306 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.7 Cg_endo -74.86 -164.61 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 75.230000000000004 111.019 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.447 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -60.59 -43.71 97.06 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.458 1.099 . . . . 74.540000000000006 109.343 179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.69 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.5 -93.46 1.24 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 64.439999999999998 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.23 178.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.771 . . . . 74.400000000000006 109.346 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.488 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 1.4 p -152.59 140.37 19.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 73.349999999999994 110.345 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 1.114 ' CE2' HD21 ' A' ' 439' ' ' LEU . 0.9 OUTLIER -86.17 133.58 33.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 74.400000000000006 111.023 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.5 ' SG ' ' CB ' ' A' ' 403' ' ' ARG . 8.0 t -128.56 93.58 3.67 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.546 1.154 . . . . 71.019999999999996 108.279 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -85.61 157.2 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 75.150000000000006 110.231 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.491 ' O ' HG22 ' A' ' 433' ' ' VAL . 8.2 t0 -173.07 155.84 3.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 73.150000000000006 109.36 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' A' ' 431' ' ' PHE . 5.8 p90 -78.33 -22.38 48.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 62.140000000000001 110.979 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -51.42 -34.96 37.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.633 1.208 . . . . 63.450000000000003 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 430' ' ' ASP . 10.5 m -83.88 -173.62 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.504 1.127 . . . . 73.540000000000006 109.345 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.573 ' CE1' ' CA ' ' A' ' 437' ' ' GLY . 2.0 p80 -97.84 -37.73 9.72 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 75.439999999999998 109.622 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 158.81 -40.21 0.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 74.549999999999997 110.991 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -125.57 23.69 7.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 0.772 . . . . 73.040000000000006 110.289 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . 0.573 ' CA ' ' CE1' ' A' ' 434' ' ' HIS . . . -89.85 15.61 58.79 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.496 1.123 . . . . 55.43 110.948 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -124.54 -74.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.538 0.787 . . . . 73.420000000000002 110.269 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 1.114 HD21 ' CE2' ' A' ' 427' ' ' PHE . 1.3 pp -126.54 152.48 46.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 64.230000000000004 109.282 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.5 t -39.66 -71.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 72.340000000000003 109.995 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.713 ' N ' HD12 ' A' ' 439' ' ' LEU . 53.0 t -179.16 149.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 74.129999999999995 108.331 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.855 HD23 ' N ' ' A' ' 443' ' ' GLN . 0.2 OUTLIER -54.15 -47.24 72.15 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 70.329999999999998 109.329 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.855 ' N ' HD23 ' A' ' 442' ' ' LEU . 29.5 mt-30 -55.24 -19.04 7.14 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 62.329999999999998 110.405 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.447 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 19.2 t0 -69.71 -41.07 75.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 54.539999999999999 109.331 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.476 ' CB ' ' HB ' ' A' ' 398' ' ' VAL . . . -71.47 -26.49 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.12 . . . . 44.100000000000001 109.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.422 ' CG1' HG13 ' A' ' 452' ' ' ILE . 6.2 mt -57.9 -26.79 29.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 73.349999999999994 109.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.0 -57.17 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.62 1.2 . . . . 74.030000000000001 109.24 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -59.55 -57.24 13.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.606 1.191 . . . . 64.430000000000007 109.644 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.457 ' HB3' ' HB1' ' A' ' 445' ' ' ALA . 0.9 OUTLIER -73.43 156.64 38.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 72.400000000000006 109.944 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -71.03 -78.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 65.530000000000001 109.272 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.567 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 6.1 m-85 -118.51 128.1 54.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 72.209999999999994 111.062 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.849 HG23 HG12 ' A' ' 398' ' ' VAL . 42.6 mm -69.26 127.32 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 75.120000000000005 109.325 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.94 HD12 ' CD2' ' A' ' 397' ' ' PHE . 8.3 mt -104.07 112.8 39.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 65.120000000000005 109.327 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.833 HD23 HG13 ' A' ' 486' ' ' VAL . 1.8 mm? -92.46 97.86 11.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.173 . . . . 75.040000000000006 109.267 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.641 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.7 tp -65.72 80.28 0.07 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.482 1.114 . . . . 52.119999999999997 109.286 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 488' ' ' PRO . 13.6 mt -68.47 98.74 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 65.0 109.242 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.638 HG23 ' O ' ' A' ' 455' ' ' LEU . 12.1 p -132.83 159.64 39.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 71.540000000000006 110.393 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 2.7 p -59.53 -15.31 17.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 52.119999999999997 109.99 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -100.9 19.87 16.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 71.239999999999995 109.249 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.977 ' CZ ' HD12 ' A' ' 400' ' ' LEU . 33.0 t80 -154.23 165.78 35.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.412 1.07 . . . . 74.150000000000006 111.096 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.43 142.19 40.77 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.618 1.199 . . . . 75.340000000000003 109.294 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.8 m -93.96 -59.21 2.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.43 1.081 . . . . 73.400000000000006 108.373 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 462' ' ' CYS . 40.1 mtp180 -38.16 -31.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 73.349999999999994 110.291 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' ' 465' ' ' SER . 1.4 tm? -82.96 -62.48 1.59 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.593 1.183 . . . . 71.150000000000006 109.275 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.939 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.5 p -38.53 -42.39 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.09 . . . . 73.209999999999994 109.985 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.526 ' CD2' ' ND2' ' A' ' 470' ' ' ASN . 7.0 tt -69.92 -57.78 4.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.47 1.106 . . . . 73.319999999999993 109.31 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 471' ' ' GLN . 2.1 t60 -42.9 -59.03 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.393 1.058 . . . . 70.319999999999993 109.636 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.512 ' HG3' HD22 ' A' ' 464' ' ' LEU . 8.5 mt-30 -46.13 -33.9 3.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 73.239999999999995 110.362 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 465' ' ' SER . 39.1 t -78.06 -67.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 63.530000000000001 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.526 ' ND2' ' CD2' ' A' ' 466' ' ' LEU . 2.0 m-80 -43.13 -67.51 0.27 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.461 1.101 . . . . 75.040000000000006 109.316 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.535 ' HB3' ' CE1' ' A' ' 467' ' ' HIS . 0.0 OUTLIER -38.25 -30.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 75.129999999999995 110.329 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.617 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -79.44 -53.23 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.105 . . . . 61.32 109.299 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.665 ' HE3' ' CG1' ' A' ' 469' ' ' VAL . 9.2 mtt -47.67 -58.96 3.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.428 1.08 . . . . 74.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.556 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.4 OUTLIER -58.28 -15.34 9.82 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 74.230000000000004 110.989 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . . . . . . . . . 6.2 t -90.9 -21.05 21.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 71.040000000000006 109.975 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.501 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 47.4 t30 -141.72 86.92 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 63.219999999999999 109.264 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.556 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.2 mt -110.43 -20.85 12.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.32 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 7.5 t -76.19 0.19 19.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.412 1.07 . . . . 70.329999999999998 110.418 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.501 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 12.0 mmt85 -103.44 -73.86 0.66 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 70.219999999999999 110.337 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.492 ' NE2' ' ND2' ' A' ' 476' ' ' ASN . 0.7 OUTLIER -117.28 -36.45 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 75.099999999999994 110.366 179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 44.99 41.06 7.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 51.229999999999997 110.967 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.3 m -111.34 98.13 38.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 0.743 . . . . 42.450000000000003 109.983 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.532 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.5 Cg_endo -75.06 0.57 8.77 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.472 1.775 . . . . 72.450000000000003 110.999 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 48.6 p30 -94.3 16.77 14.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 50.32 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.2 m -92.48 17.76 9.54 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.51 1.131 . . . . 74.120000000000005 108.274 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 1.023 ' O ' HD13 ' A' ' 487' ' ' ILE . 85.7 t -104.63 130.21 55.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 74.420000000000002 109.339 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 1.023 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.1 mm -133.42 91.62 26.31 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 64.319999999999993 109.315 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.49 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.8 Cg_endo -74.98 111.87 3.43 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.477 1.778 . . . . 72.310000000000002 111.057 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.614 ' CE1' ' CG2' ' A' ' 412' ' ' VAL . 5.6 t80 -90.75 168.83 11.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.163 . . . . 73.519999999999996 110.959 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.681 HD11 ' HD3' ' A' ' 496' ' ' PRO . 0.8 OUTLIER -152.89 98.73 2.79 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 109.283 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.422 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.06 166.41 29.19 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.543 1.812 . . . . 51.229999999999997 111.045 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.581 ' N ' HD12 ' A' ' 492' ' ' LEU . 4.0 mp -69.72 -34.95 74.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 51.140000000000001 109.301 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.456 ' HB2' HD13 ' A' ' 408' ' ' ILE . 30.4 mm-40 -54.38 -35.35 62.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 70.329999999999998 110.271 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . . . . . . . . . 8.7 m -119.06 179.29 4.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 53.009999999999998 109.956 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.455 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -146.88 165.85 18.12 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.405 1.066 . . . . 71.329999999999998 110.04 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.681 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.6 Cg_endo -74.95 -35.27 3.29 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 61.210000000000001 110.997 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -58.89 -34.7 71.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 55.399999999999999 109.343 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -60.34 -14.72 20.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 70.140000000000001 110.32 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 462' ' ' CYS . 1.3 mt -101.39 170.62 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 71.129999999999995 109.372 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 10.0 m -64.38 154.39 35.67 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.41 1.069 . . . . 64.129999999999995 109.973 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 17.5 m -67.74 -9.25 42.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.005 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 505' ' ' SER . 2.5 m-20 -81.41 -35.39 30.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 73.540000000000006 109.307 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.812 ' O ' HD13 ' A' ' 507' ' ' LEU . 26.8 m -43.0 -50.03 5.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 71.25 110.414 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -51.15 -38.01 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 54.420000000000002 109.277 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.0 t -81.61 -23.7 36.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 75.25 109.982 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 503' ' ' THR . 90.0 mt -67.49 -39.35 85.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.265 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.812 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.53 25.25 9.46 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 72.349999999999994 109.323 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.96 -31.68 71.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 55.119999999999997 109.95 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -90.6 -21.53 36.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.491 1.119 . . . . 32.100000000000001 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.456 HD12 ' CB ' ' A' ' 507' ' ' LEU . 9.2 mt -80.84 -171.75 3.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.791 . . . . 64.239999999999995 109.301 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.44 HG12 ' CD1' ' A' ' 513' ' ' LEU . 55.3 t -116.73 103.95 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.535 1.147 . . . . 75.239999999999995 109.22 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -71.56 100.51 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 73.409999999999997 110.303 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.799 HD22 ' CG2' ' A' ' 487' ' ' ILE . 2.3 mp -71.91 137.14 47.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.43 1.081 . . . . 62.210000000000001 109.36 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.56 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.4 m-20 -122.73 167.7 13.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 75.140000000000001 109.36 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.463 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 9.9 tt0 -123.43 5.91 9.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 54.310000000000002 110.324 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.434 ' NE2' ' OD2' ' A' ' 514' ' ' ASP . 0.2 OUTLIER -122.96 -0.22 9.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 72.150000000000006 109.528 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.74 163.24 14.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 70.209999999999994 110.039 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -105.92 -0.55 24.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 63.009999999999998 110.23 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.774 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.67 -26.06 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 64.5 109.364 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.56 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 2.9 t80 -40.07 -35.35 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 72.400000000000006 111.04 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -55.17 -47.39 75.24 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.548 1.155 . . . . 62.439999999999998 109.303 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.722 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.2 mpt_? -73.74 -21.18 60.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.138 . . . . 75.310000000000002 110.339 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.774 ' CD ' HD11 ' A' ' 519' ' ' ILE . 15.2 mmmt -74.18 -40.87 62.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.174 . . . . 50.32 109.285 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.683 HG23 HD21 ' A' ' 513' ' ' LEU . 1.2 p -79.24 -45.62 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 74.430000000000007 109.287 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.44 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.28 -10.95 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 72.129999999999995 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 8.1 m-20 -86.34 -53.64 4.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.329 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.526 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.2 t -77.37 -55.2 5.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 73.420000000000002 110.507 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.88 56.21 3.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 75.409999999999997 110.972 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.985 ' O ' HD23 ' A' ' 533' ' ' LEU . 76.9 mttt -64.75 160.82 50.81 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.264 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . 0.447 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.4 Cg_endo -74.95 -20.28 17.13 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.405 1.739 . . . . 35.530000000000001 111.084 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.42 ' NE2' ' HD3' ' A' ' 532' ' ' ARG . 7.2 p-80 -90.43 -11.79 39.37 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.499 1.125 . . . . 64.319999999999993 109.561 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.495 ' NH2' HH12 ' A' ' 536' ' ' ARG . 26.6 mmm180 -101.91 -7.28 22.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.430000000000007 110.275 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.985 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.5 mm? -88.48 -35.84 16.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 72.219999999999999 109.336 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 2.2 mt-30 -81.9 -42.46 19.49 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.451 1.094 . . . . 62.310000000000002 110.243 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.469 ' O ' ' HB3' ' A' ' 538' ' ' ALA . . . -51.24 -22.47 2.72 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.561 1.163 . . . . 54.119999999999997 109.299 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.495 HH12 ' NH2' ' A' ' 532' ' ' ARG . 0.0 OUTLIER -62.38 -43.98 97.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 74.400000000000006 110.343 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -30.78 71.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.286 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 535' ' ' ALA . . . -61.14 -15.1 29.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 65.540000000000006 109.331 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 13.2 mtm -95.56 -21.42 18.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 73.209999999999994 111.01 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 5.2 t90 -77.18 -27.09 53.55 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.993 -1.114 . . . . 72.510000000000005 107.993 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 542' ' ' LYS . 6.3 ptp180 -76.65 -24.12 53.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.533 1.146 . . . . 74.299999999999997 110.189 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.403 ' N ' ' HG3' ' A' ' 541' ' ' ARG . 10.6 mmtp -69.44 -40.4 77.24 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 63.43 109.166 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -45.85 -29.45 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 73.310000000000002 110.355 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -79.06 -50.77 10.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 75.439999999999998 110.357 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 34.420000000000002 109.29 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . 0.441 ' SD ' ' N ' ' A' ' 386' ' ' MET . 1.4 mpt? . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.45 0.167 . . . . 70.349999999999994 110.999 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -113.45 147.78 37.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 64.340000000000003 110.326 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 4.6 t -134.98 10.87 3.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.417 1.073 . . . . 50.399999999999999 109.939 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 391' ' ' GLU . 76.7 p -124.4 18.26 8.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 72.120000000000005 110.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 15.9 p -42.88 97.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 71.409999999999997 110.008 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 389' ' ' SER . 4.6 pt-20 -89.17 -171.21 3.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 54.119999999999997 110.25 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -40.4 160.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 75.430000000000007 110.341 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.578 ' CE ' ' CE1' ' A' ' 395' ' ' TYR . 4.8 tmtt? -101.69 132.39 47.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.097 . . . . 74.400000000000006 109.243 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.511 ' CD2' ' HD3' ' A' ' 537' ' ' LYS . 79.0 t80 -159.5 157.45 30.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.565 1.166 . . . . 64.510000000000005 111.024 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 11.8 m-30 -102.59 132.68 48.52 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.49 1.119 . . . . 73.430000000000007 110.932 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.883 ' OD1' HD13 ' A' ' 533' ' ' LEU . 20.2 m-80 -115.9 -1.93 12.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.364 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 1.09 ' CD2' HD12 ' A' ' 453' ' ' ILE . 28.5 p90 -178.03 160.99 1.48 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.558 1.161 . . . . 74.0 111.033 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 445' ' ' ALA . 2.3 t -122.81 105.36 15.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 1.082 . . . . 60.409999999999997 109.365 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.519 HG12 HG21 ' A' ' 453' ' ' ILE . 46.0 mt -71.84 91.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.308 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.8 HD22 ' HB3' ' A' ' 427' ' ' PHE . 0.0 OUTLIER -69.86 103.38 2.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 73.530000000000001 109.288 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.675 ' CB ' HD23 ' A' ' 455' ' ' LEU . 25.1 p80 -137.87 -168.97 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.555 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.833 ' HB3' ' OD1' ' A' ' 405' ' ' ASP . . . -96.75 141.79 29.55 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.393 1.058 . . . . 51.43 109.315 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -54.77 -15.8 2.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 54.340000000000003 110.249 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.409 ' C ' ' OD2' ' A' ' 405' ' ' ASP . . . -94.55 17.46 13.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 53.340000000000003 109.276 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.833 ' OD1' ' HB3' ' A' ' 402' ' ' ALA . 0.0 OUTLIER -139.31 36.34 2.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 64.150000000000006 109.32 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.551 ' HG3' HD13 ' A' ' 410' ' ' LEU . 18.8 tt0 -64.94 -71.89 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 73.0 110.274 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.497 ' CE1' HG13 ' A' ' 408' ' ' ILE . 24.9 p-80 -36.81 -39.62 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.349999999999994 109.623 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.497 HG13 ' CE1' ' A' ' 407' ' ' HIS . 67.3 mt -58.23 -60.74 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 53.200000000000003 109.241 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -54.25 -49.34 69.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 1.093 . . . . 73.140000000000001 109.309 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.551 HD13 ' HG3' ' A' ' 406' ' ' GLU . 10.1 mp -60.76 -15.11 26.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 73.430000000000007 109.279 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 408' ' ' ILE . 11.0 ttp180 -80.62 -21.71 41.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 73.519999999999996 110.342 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 413' ' ' ARG . 3.6 t -96.72 -51.65 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.534 1.146 . . . . 74.109999999999999 109.309 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.492 ' C ' ' O ' ' A' ' 412' ' ' VAL . 9.7 mtm180 -31.01 -58.46 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 74.049999999999997 110.297 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 417' ' ' GLU . 15.6 mt-10 -66.32 -52.86 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.108 . . . . 63.32 110.273 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.24 -34.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 74.049999999999997 109.372 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 1.007 ' HB3' HG13 ' A' ' 421' ' ' VAL . 64.1 mt -69.61 -50.84 40.58 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.552 1.157 . . . . 71.129999999999995 109.319 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 414' ' ' GLU . 62.8 mt-10 -40.02 -28.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.357 1.036 . . . . 60.149999999999999 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.449 ' N ' ' C ' ' A' ' 416' ' ' LEU . . . -74.87 -50.89 15.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.179 . . . . 65.209999999999994 109.306 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.091 HD13 HG11 ' A' ' 524' ' ' VAL . 1.8 mt -61.12 -46.27 91.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 73.340000000000003 109.263 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 168.11 -65.91 0.19 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 110.968 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 1.007 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.6 p -55.11 144.14 50.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.787 . . . . 72.530000000000001 109.345 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.779 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -75.02 -165.45 0.29 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.472 1.775 . . . . 71.239999999999995 111.042 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.483 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.4 OUTLIER -56.89 -42.37 79.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 63.310000000000002 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.711 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 83.47 -91.02 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.404 1.065 . . . . 61.520000000000003 111.01 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.711 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.42 179.55 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 0.717 . . . . 32.5 109.317 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.7 p -152.42 160.56 43.26 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 110.437 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.8 ' HB3' HD22 ' A' ' 400' ' ' LEU . 5.8 t80 -125.96 142.32 51.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 64.530000000000001 110.99 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.465 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 58.3 m -119.54 149.83 41.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.431 1.082 . . . . 71.439999999999998 108.273 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.86 147.48 0.12 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 74.409999999999997 110.302 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -118.76 19.16 13.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 61.439999999999998 109.356 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -104.3 11.78 34.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 75.519999999999996 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -126.36 -43.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 74.420000000000002 110.339 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.463 HG23 ' H ' ' A' ' 435' ' ' GLY . 3.3 m -67.28 177.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.415 1.072 . . . . 72.430000000000007 109.377 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -42.88 -49.63 5.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 63.520000000000003 109.607 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . 0.463 ' H ' HG23 ' A' ' 433' ' ' VAL . . . 178.48 -113.07 0.39 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.444 1.09 . . . . 74.310000000000002 110.931 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.66 65.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 0.744 . . . . 75.109999999999999 110.308 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -123.69 12.68 8.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 111.012 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -81.83 -56.85 3.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 0.729 . . . . 70.340000000000003 110.307 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.702 HD12 ' N ' ' A' ' 441' ' ' CYS . 3.7 pp -118.03 175.69 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 74.25 109.2 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.408 ' N ' HD12 ' A' ' 439' ' ' LEU . 0.7 OUTLIER -51.29 -71.78 0.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.422 1.076 . . . . 71.200000000000003 109.962 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.702 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.8 m -161.87 160.17 27.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.132 . . . . 63.409999999999997 108.34 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.86 HD11 ' HB3' ' A' ' 468' ' ' GLN . 1.5 tm? -60.29 -44.51 95.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 64.340000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.402 ' O ' HG22 ' A' ' 446' ' ' ILE . 0.5 OUTLIER -75.18 -26.91 59.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 75.420000000000002 110.29 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -69.12 -8.84 49.1 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 72.030000000000001 109.252 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.605 ' HA ' ' CD2' ' A' ' 448' ' ' HIS . . . -81.48 -9.55 59.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 43.299999999999997 109.291 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 452' ' ' ILE . 1.1 tt -92.54 -16.29 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 74.120000000000005 109.343 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.06 -33.76 8.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 51.439999999999998 109.208 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' A' ' 445' ' ' ALA . 0.1 OUTLIER -78.73 1.0 24.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 70.109999999999999 109.606 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.422 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 26.4 m -148.74 160.39 43.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 41.420000000000002 109.958 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.424 ' HA ' HH21 ' A' ' 536' ' ' ARG . . . -65.29 -79.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.605 1.191 . . . . 54.43 109.317 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.572 ' CD1' ' HB2' ' A' ' 485' ' ' CYS . 16.5 m-30 -119.07 147.03 44.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.079 . . . . 73.140000000000001 111.007 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.468 ' CG1' HG13 ' A' ' 446' ' ' ILE . 2.1 mm -85.63 140.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 65.200000000000003 109.262 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 1.09 HD12 ' CD2' ' A' ' 397' ' ' PHE . 7.9 mt -110.74 128.31 67.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 65.040000000000006 109.264 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.497 HD23 ' C ' ' A' ' 453' ' ' ILE . 6.6 mt -101.22 99.28 9.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.471 1.107 . . . . 73.019999999999996 109.344 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.781 HD12 ' HB3' ' A' ' 489' ' ' PHE . 14.9 tp -76.27 89.97 3.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 63.109999999999999 109.353 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 499' ' ' LEU . 7.4 mt -71.24 99.62 1.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 62.039999999999999 109.277 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.49 HG22 ' CG ' ' A' ' 491' ' ' PRO . 46.8 p -131.94 149.26 52.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 64.540000000000006 110.413 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 24.2 p -58.6 -16.22 14.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 53.210000000000001 109.996 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -90.47 -24.5 20.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.143 . . . . 74.400000000000006 109.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.763 ' CE1' HD12 ' A' ' 400' ' ' LEU . 58.1 t80 -109.99 170.09 8.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.427 1.079 . . . . 60.539999999999999 110.935 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.561 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.9 m-20 -116.58 142.07 47.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 74.400000000000006 109.326 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.27 -56.61 3.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 52.049999999999997 108.263 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 0.1 OUTLIER -39.51 -32.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 71.510000000000005 110.281 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 468' ' ' GLN . 1.0 OUTLIER -70.5 -65.02 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 73.239999999999995 109.365 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.494 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -50.01 -59.75 3.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 54.140000000000001 110.002 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.784 HD13 ' C ' ' A' ' 466' ' ' LEU . 0.5 OUTLIER -51.68 -23.11 4.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 75.209999999999994 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.442 ' CB ' ' O ' ' A' ' 463' ' ' ARG . 27.5 t60 -90.46 -26.73 19.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.662 1.226 . . . . 62.420000000000002 109.578 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.86 ' HB3' HD11 ' A' ' 442' ' ' LEU . 5.9 mt-30 -80.63 -61.36 1.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 72.109999999999999 110.392 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.615 HG22 ' HE3' ' A' ' 473' ' ' MET . 13.7 p -49.96 -54.07 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 72.340000000000003 109.266 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.776 ' ND2' HD22 ' A' ' 466' ' ' LEU . 1.8 m-80 -47.03 -72.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 65.040000000000006 109.32 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.639 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 26.6 mm-40 -39.24 -46.49 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 53.350000000000001 110.321 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 469' ' ' VAL . . . -55.61 -48.56 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 52.25 109.296 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.615 ' HE3' HG22 ' A' ' 469' ' ' VAL . 6.2 mtt -59.91 -71.69 0.12 Allowed 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.544 1.153 . . . . 73.140000000000001 110.979 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.639 ' HE2' ' HA ' ' A' ' 471' ' ' GLN . 1.2 ptm -50.25 -21.06 1.21 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 64.5 110.938 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 5.0 t -74.14 -48.13 31.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 73.010000000000005 109.996 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.451 ' OD1' ' NE2' ' A' ' 480' ' ' GLN . 53.0 p-10 -122.11 70.25 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 70.230000000000004 109.362 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.583 HD21 ' HA ' ' A' ' 474' ' ' MET . 14.2 mt -72.54 -33.43 66.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 74.219999999999999 109.281 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 12.7 t -69.54 -6.65 32.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 72.230000000000004 110.366 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -77.04 0.41 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.557 1.161 . . . . 73.219999999999999 110.34 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.512 ' NE2' ' H ' ' A' ' 481' ' ' GLY . 1.3 pp0? -115.54 -31.84 5.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 74.219999999999999 110.257 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.512 ' H ' ' NE2' ' A' ' 480' ' ' GLN . . . 37.38 45.06 1.26 Allowed Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.49 1.119 . . . . 62.520000000000003 111.009 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 74.0 m -115.73 87.67 18.54 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.427 0.722 . . . . 72.329999999999998 110.018 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.55 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.89 0.44 8.84 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.478 1.778 . . . . 74.209999999999994 111.076 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.85 32.33 4.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 72.010000000000005 109.348 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.572 ' HB2' ' CD1' ' A' ' 451' ' ' PHE . 13.3 p -113.27 8.85 18.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.15 . . . . 62.219999999999999 108.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.405 HG22 ' HE3' ' A' ' 473' ' ' MET . 2.1 t -87.33 109.68 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 75.129999999999995 109.303 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.639 HG22 HD22 ' A' ' 513' ' ' LEU . 2.5 mm -114.67 97.37 46.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 63.340000000000003 109.354 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 454' ' ' LEU . 18.4 Cg_endo -74.93 103.95 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.551 1.816 . . . . 74.439999999999998 110.979 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.781 ' HB3' HD12 ' A' ' 455' ' ' LEU . 4.2 t80 -84.61 166.51 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 111.003 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 495' ' ' SER . 2.5 tm? -149.69 102.06 3.25 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.5 1.125 . . . . 74.25 109.311 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.49 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.0 Cg_endo -75.05 158.26 42.09 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.42 1.747 . . . . 74.239999999999995 110.938 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.808 HD11 ' CD ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -67.2 -21.43 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 75.5 109.254 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -67.89 -34.45 76.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 72.409999999999997 110.266 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.437 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 22.3 m -117.18 179.37 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 50.409999999999997 110.004 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.05 165.55 18.81 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 71.140000000000001 109.954 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -33.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.575 1.829 . . . . 52.340000000000003 110.987 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.95 70.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 72.329999999999998 109.324 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 2.7 mt-30 -66.45 -9.69 36.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 75.430000000000007 110.361 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.557 ' CD1' HG21 ' A' ' 503' ' ' THR . 6.9 mt -104.04 169.94 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.583 1.177 . . . . 63.439999999999998 109.276 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.432 ' OG ' ' N ' ' A' ' 501' ' ' SER . 2.2 t -65.49 175.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.230000000000004 109.985 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . 0.432 ' N ' ' OG ' ' A' ' 500' ' ' SER . 68.4 m -81.66 -13.38 57.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.399 1.062 . . . . 73.040000000000006 109.984 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 505' ' ' SER . 1.4 p30 -79.19 -38.96 34.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 73.349999999999994 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.859 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.2 m -42.44 -28.2 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 74.209999999999994 110.497 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -67.52 -49.71 62.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.501 1.125 . . . . 71.549999999999997 109.259 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 502' ' ' ASP . 2.9 m -72.19 -22.74 61.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 74.540000000000006 110.012 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.859 HD12 ' HA ' ' A' ' 503' ' ' THR . 47.1 mt -69.88 -32.43 70.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 75.430000000000007 109.323 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.501 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.7 pp -110.56 14.99 22.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 62.5 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 5.3 t -74.24 106.48 5.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.409 1.068 . . . . 74.299999999999997 109.936 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 115.29 -23.57 11.21 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 71.129999999999995 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 81.8 mt -81.41 -172.33 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 0.716 . . . . 74.25 109.313 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.58 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.2 t -113.32 99.59 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 74.109999999999999 109.248 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 488' ' ' PRO . 11.4 ttp-105 -72.88 128.7 36.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 110.341 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.639 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -97.1 138.61 34.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.113 . . . . 65.439999999999998 109.275 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.434 ' OD2' ' NE2' ' A' ' 516' ' ' HIS . 0.9 OUTLIER -142.82 143.37 32.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 70.439999999999998 109.34 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.808 ' CD ' HD11 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -78.88 -35.22 44.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 53.520000000000003 110.292 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.7 ' ND1' HD23 ' A' ' 492' ' ' LEU . 0.3 OUTLIER -88.33 14.45 9.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 75.140000000000001 109.674 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 8.8 t -97.86 118.27 34.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 74.239999999999995 110.012 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -74.68 -1.87 23.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 74.200000000000003 110.401 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.781 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.98 -28.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 63.229999999999997 109.287 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.502 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 0.2 OUTLIER -39.72 -35.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 73.340000000000003 111.032 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.44 ' HA ' HD22 ' A' ' 419' ' ' LEU . . . -56.43 -47.27 79.41 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.425 1.078 . . . . 51.329999999999998 109.36 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.8 mpt_? -73.15 -20.1 60.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 73.040000000000006 110.197 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.781 ' CD ' HD11 ' A' ' 519' ' ' ILE . 21.4 mmmt -74.66 -47.03 34.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 74.040000000000006 109.269 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 1.091 HG11 HD13 ' A' ' 419' ' ' LEU . 1.8 p -72.95 -32.56 40.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 74.420000000000002 109.248 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.54 56.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 72.439999999999998 109.342 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 522' ' ' ARG . 14.2 m-20 -98.84 -28.74 13.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 72.349999999999994 109.311 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 2.7 t -101.53 -51.07 3.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 110.382 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.742 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.2 m-85 -96.65 62.37 1.97 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 73.099999999999994 110.99 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 32.8 mttt -70.21 155.64 93.13 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.237 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -37.54 1.97 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.496 1.788 . . . . 74.120000000000005 110.962 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.455 ' ND1' ' CD ' ' A' ' 532' ' ' ARG . 9.6 p80 -72.43 -5.5 37.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 64.239999999999995 109.563 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.455 ' CD ' ' ND1' ' A' ' 531' ' ' HIS . 1.6 mpt_? -101.11 -49.71 4.01 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 110.302 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.883 HD13 ' OD1' ' A' ' 396' ' ' ASN . 1.9 mt -54.42 -59.83 4.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.588 1.18 . . . . 64.200000000000003 109.288 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -53.0 -40.18 63.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 74.420000000000002 110.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -73.33 -20.99 60.66 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.523 1.139 . . . . 75.25 109.221 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 532' ' ' ARG . 5.1 mmm180 -83.63 -12.1 56.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 61.229999999999997 110.304 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 394' ' ' PHE . 19.8 mmmt -83.45 -9.67 58.86 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 63.549999999999997 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -70.93 -48.42 53.65 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.464 1.103 . . . . 64.540000000000006 109.337 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.417 ' CE ' ' HD2' ' A' ' 536' ' ' ARG . 60.0 mtm -64.86 -19.93 66.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.354 1.034 . . . . 72.299999999999997 110.959 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -64.25 -23.7 67.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 73.340000000000003 108.091 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -77.78 -20.95 52.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 74.230000000000004 110.307 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -71.67 -15.64 62.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 74.25 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.05 -20.45 38.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 70.040000000000006 110.311 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -77.86 -36.02 50.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 75.329999999999998 110.361 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 34.7 t0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 70.040000000000006 109.317 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.189 . . . . 74.340000000000003 111.028 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.45 106.0 10.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 71.129999999999995 110.261 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 31.9 p -91.59 9.34 32.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 75.120000000000005 109.991 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 59.1 p -120.93 18.77 11.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 74.129999999999995 109.997 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 11.7 t -114.83 41.59 2.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 62.340000000000003 110.009 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -62.53 -174.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 62.530000000000001 110.215 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -137.5 166.9 22.76 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.449 1.093 . . . . 63.530000000000001 110.339 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.427 ' HB3' ' CE1' ' A' ' 395' ' ' TYR . 16.5 ttpp -60.32 154.8 19.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 43.299999999999997 109.298 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.561 ' CZ ' ' HG3' ' A' ' 544' ' ' GLN . 98.4 m-85 -59.47 91.61 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.5 1.125 . . . . 71.319999999999993 111.03 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 425' ' ' ALA . 6.9 m-30 -105.68 139.57 40.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.09 . . . . 72.209999999999994 110.929 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.675 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 17.8 m120 -119.97 -3.2 10.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 63.229999999999997 109.335 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.833 ' CD1' HD12 ' A' ' 453' ' ' ILE . 5.1 p90 -177.95 149.98 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.183 . . . . 75.310000000000002 110.973 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.911 ' CG1' HG23 ' A' ' 452' ' ' ILE . 1.6 p -113.78 109.56 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.150000000000006 109.306 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.552 HG13 ' CD1' ' A' ' 397' ' ' PHE . 61.3 mt -83.71 96.24 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 52.409999999999997 109.291 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 460' ' ' PHE . 8.2 mt -75.39 133.44 41.17 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.607 1.192 . . . . 73.040000000000006 109.282 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.4 p80 -162.71 -174.19 3.85 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.451 1.095 . . . . 74.209999999999994 109.571 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.458 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -84.63 -158.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 73.340000000000003 109.345 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -99.18 -19.04 17.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.56 1.163 . . . . 73.540000000000006 110.318 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -103.56 17.1 24.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 64.310000000000002 109.281 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.52 26.34 7.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.42 1.075 . . . . 64.340000000000003 109.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.641 ' HG3' HD13 ' A' ' 410' ' ' LEU . 14.3 tt0 -65.36 -74.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.540000000000006 110.223 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.502 ' CE1' HG13 ' A' ' 408' ' ' ILE . 10.1 p-80 -39.26 -43.71 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.598 1.186 . . . . 74.230000000000004 109.565 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.502 HG13 ' CE1' ' A' ' 407' ' ' HIS . 68.7 mt -52.43 -49.93 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.477 1.111 . . . . 55.219999999999999 109.289 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.67 -49.28 66.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 45.299999999999997 109.255 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.641 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.9 mp -62.38 -13.87 33.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 70.420000000000002 109.308 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 407' ' ' HIS . 13.6 ttp85 -85.1 -16.39 40.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 74.439999999999998 110.304 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.706 HG21 ' CE2' ' A' ' 489' ' ' PHE . 19.0 t -96.39 -51.21 10.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.491 1.119 . . . . 64.340000000000003 109.297 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.456 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 7.5 mtm180 -36.71 -40.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.087 . . . . 75.219999999999999 110.286 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.24 -54.04 10.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 73.109999999999999 110.288 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.27 -23.68 6.14 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 54.100000000000001 109.296 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.937 ' HB3' HG13 ' A' ' 421' ' ' VAL . 16.5 mt -73.98 -35.4 64.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 109.3 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -75.58 -8.15 56.05 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.456 1.097 . . . . 74.120000000000005 110.316 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -94.5 -5.32 46.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 53.229999999999997 109.301 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.673 HD13 HG11 ' A' ' 524' ' ' VAL . 4.1 mt -117.38 -44.89 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 75.329999999999998 109.244 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 173.03 -68.68 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 75.319999999999993 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.937 HG13 ' HB3' ' A' ' 416' ' ' LEU . 1.0 OUTLIER -48.78 144.45 7.12 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.774 . . . . 71.230000000000004 109.3 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.789 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.0 Cg_endo -75.1 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.528 1.804 . . . . 73.430000000000007 110.999 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.454 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 0.8 OUTLIER -70.06 -18.35 63.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 61.520000000000003 109.299 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 59.33 -97.33 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 62.009999999999998 110.963 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 164.02 -173.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 0.767 . . . . 44.43 109.31 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -152.07 153.57 34.22 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 72.239999999999995 110.375 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.84 ' CD2' HD22 ' A' ' 439' ' ' LEU . 1.9 m-30 -118.18 91.5 3.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 44.240000000000002 111.07 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 12.3 m -62.03 84.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 72.230000000000004 108.317 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 427' ' ' PHE . 4.9 tt0 -61.19 123.07 16.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 72.349999999999994 110.199 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -143.99 127.61 17.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 109.352 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 22.1 p90 -96.34 9.39 41.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 72.439999999999998 110.9 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -79.78 -34.34 39.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 73.200000000000003 110.285 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.53 158.96 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 41.25 109.325 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -41.18 -45.5 2.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.41 1.069 . . . . 73.420000000000002 109.6 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 102.1 -19.77 47.81 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.496 1.123 . . . . 64.439999999999998 111.066 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.89 1.94 21.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 0.791 . . . . 64.200000000000003 110.303 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -122.13 -0.93 10.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.395 1.059 . . . . 71.120000000000005 111.063 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -94.92 -50.77 4.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 0.789 . . . . 73.349999999999994 110.318 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.84 HD22 ' CD2' ' A' ' 427' ' ' PHE . 3.5 pp -129.46 -164.42 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 75.430000000000007 109.272 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.667 ' N ' HD12 ' A' ' 439' ' ' LEU . 40.4 m -87.11 -70.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 70.129999999999995 110.102 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 2.0 t -172.88 161.92 4.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 108.315 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.677 ' O ' HD12 ' A' ' 442' ' ' LEU . 0.4 OUTLIER -62.59 -54.36 40.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 109.339 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.782 ' HG2' ' HB1' ' A' ' 472' ' ' ALA . 29.5 mt-30 -69.16 -7.08 33.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.163 . . . . 61.049999999999997 110.43 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.58 ' CG ' ' CE1' ' A' ' 448' ' ' HIS . 0.8 OUTLIER -68.14 -14.31 62.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 63.409999999999997 109.339 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.633 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -103.84 -34.56 8.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 71.450000000000003 109.291 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.425 HG13 HD11 ' A' ' 452' ' ' ILE . 66.9 mt -69.33 -19.42 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 43.520000000000003 109.339 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -104.03 -58.23 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 75.540000000000006 109.354 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.58 ' CE1' ' CG ' ' A' ' 444' ' ' ASP . 2.4 m170 -68.23 -62.58 1.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 72.040000000000006 109.603 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.411 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.9 OUTLIER -70.66 157.58 37.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 63.399999999999999 110.056 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.675 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -65.57 -78.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 62.109999999999999 109.371 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -124.04 146.96 48.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 72.129999999999995 111.015 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.911 HG23 ' CG1' ' A' ' 398' ' ' VAL . 8.8 mm -79.3 138.69 19.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 72.299999999999997 109.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.833 HD12 ' CD1' ' A' ' 397' ' ' PHE . 95.4 mt -113.42 113.56 44.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.394 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 465' ' ' SER . 11.8 mt -89.56 106.66 18.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 72.349999999999994 109.323 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.477 HD22 ' CG2' ' A' ' 399' ' ' ILE . 6.9 tp -75.2 79.48 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 53.0 109.371 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.517 HD11 ' CB ' ' A' ' 488' ' ' PRO . 6.2 mt -62.12 92.35 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.439 1.087 . . . . 74.310000000000002 109.214 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.507 HG22 ' CG ' ' A' ' 491' ' ' PRO . 82.4 p -131.86 149.8 52.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 64.239999999999995 110.418 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 23.2 t -59.53 -15.68 19.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.403 1.065 . . . . 73.400000000000006 109.929 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 9.0 m-20 -90.0 -21.7 22.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 63.219999999999999 109.212 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.515 ' CG ' ' HA ' ' A' ' 401' ' ' HIS . 32.6 t80 -112.68 172.34 6.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 75.349999999999994 111.028 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.439 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 36.6 t0 -112.63 135.6 53.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 65.230000000000004 109.298 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.464 ' SG ' HD13 ' A' ' 499' ' ' LEU . 3.5 m -94.03 -50.13 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 108.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -38.56 -41.3 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 75.140000000000001 110.302 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.466 HD22 ' HG3' ' A' ' 468' ' ' GLN . 1.7 tm? -77.81 -44.54 27.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 72.349999999999994 109.231 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.551 ' HB2' HD22 ' A' ' 454' ' ' LEU . 78.4 p -49.36 -27.3 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 64.010000000000005 109.974 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 506' ' ' LEU . 6.2 tt -88.92 -58.55 2.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.37 1.044 . . . . 64.420000000000002 109.235 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -45.69 -28.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 72.430000000000007 109.547 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.541 ' HB3' HD22 ' A' ' 442' ' ' LEU . 68.9 mt-30 -75.62 -76.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 110.306 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.754 HG21 HG22 ' A' ' 486' ' ' VAL . 8.8 p -39.95 -30.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.263 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 468' ' ' GLN . 2.3 m-80 -74.88 -72.41 0.3 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 75.400000000000006 109.267 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.482 ' HG3' ' N ' ' A' ' 472' ' ' ALA . 0.0 OUTLIER -41.94 -27.34 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 74.430000000000007 110.286 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.782 ' HB1' ' HG2' ' A' ' 443' ' ' GLN . . . -82.79 -52.54 6.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.153 . . . . 65.150000000000006 109.282 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.687 ' HE2' HG22 ' A' ' 469' ' ' VAL . 5.9 mtt -50.36 -54.0 24.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 71.430000000000007 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 471' ' ' GLN . 0.0 OUTLIER -66.89 -8.38 28.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 111.008 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.414 ' HB3' ' NE2' ' A' ' 443' ' ' GLN . 1.3 t -76.1 -50.3 15.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 75.319999999999993 110.014 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -138.1 92.37 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 75.540000000000006 109.264 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 473' ' ' MET . 13.9 mt -90.78 -38.06 13.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.577 1.173 . . . . 75.230000000000004 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 6.1 t -64.73 -11.14 32.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.575 1.172 . . . . 73.510000000000005 110.407 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.406 ' HG2' ' NE2' ' A' ' 480' ' ' GLN . 0.0 OUTLIER -77.5 -74.87 0.23 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 74.25 110.311 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.419 ' NE2' HG22 ' A' ' 446' ' ' ILE . 0.1 OUTLIER -110.26 -27.37 9.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.329999999999998 110.323 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 40.62 67.51 0.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.555 1.16 . . . . 74.040000000000006 111.077 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 2.0 t -127.77 91.59 44.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 0.74 . . . . 70.340000000000003 109.954 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.44 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.1 Cg_endo -75.08 0.61 8.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.513 1.796 . . . . 65.140000000000001 111.0 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.01 43.36 2.88 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 63.329999999999998 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.47 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 29.2 p -111.53 30.3 7.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 51.539999999999999 108.317 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.754 HG22 HG21 ' A' ' 469' ' ' VAL . 2.2 t -123.13 123.14 67.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.606 1.192 . . . . 60.43 109.309 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 486' ' ' VAL . 3.3 mm -132.59 96.84 18.14 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.329999999999998 109.388 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.517 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.3 Cg_endo -75.0 102.63 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.381 1.727 . . . . 72.230000000000004 110.967 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.706 ' CE2' HG21 ' A' ' 412' ' ' VAL . 6.7 t80 -78.01 161.72 27.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.329999999999998 111.025 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 513' ' ' LEU . 0.7 OUTLIER -141.52 97.96 6.61 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.402 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.507 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.1 Cg_endo -74.96 150.58 38.58 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.475 1.776 . . . . 75.209999999999994 111.014 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.634 HD22 ' ND1' ' A' ' 516' ' ' HIS . 3.2 mt -64.08 -17.13 63.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 72.420000000000002 109.291 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -73.19 -24.12 60.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 73.209999999999994 110.236 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.41 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 15.3 m -124.39 -178.5 4.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 63.32 109.966 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.18 159.14 43.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 70.319999999999993 110.009 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.422 ' HD3' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.0 -27.4 10.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.464 1.77 . . . . 72.109999999999999 110.978 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.7 -31.25 72.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 73.129999999999995 109.292 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -68.57 -11.22 59.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 73.129999999999995 110.347 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.47 HD12 HG21 ' A' ' 503' ' ' THR . 2.3 mt -98.23 165.11 12.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 51.409999999999997 109.289 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.86 159.41 22.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 65.209999999999994 109.939 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 4.4 m -69.45 -11.53 60.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 63.149999999999999 110.025 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' ' 505' ' ' SER . 24.9 m-20 -82.47 -34.05 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 72.430000000000007 109.332 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.884 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.8 m -45.32 -25.56 0.41 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 72.349999999999994 110.4 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -71.56 -44.42 64.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 63.32 109.316 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 502' ' ' ASP . 5.5 t -79.59 -13.36 59.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 62.140000000000001 110.041 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.884 HD12 ' HA ' ' A' ' 503' ' ' THR . 34.0 mt -79.84 -32.15 40.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.09 . . . . 71.230000000000004 109.311 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.615 ' O ' HD12 ' A' ' 507' ' ' LEU . 2.8 pp -109.88 14.01 23.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.409999999999997 109.38 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 7.7 p -56.64 101.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.441 1.088 . . . . 72.040000000000006 110.071 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 110.45 -25.56 15.17 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.446 1.091 . . . . 75.140000000000001 111.001 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 510' ' ' LEU . 14.5 mt -58.05 -174.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 64.099999999999994 109.239 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.542 HG12 ' CD1' ' A' ' 513' ' ' LEU . 50.5 t -116.14 92.14 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 61.240000000000002 109.39 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.57 128.93 37.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 73.209999999999994 110.284 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.671 HD22 HG22 ' A' ' 487' ' ' ILE . 0.3 OUTLIER -110.39 145.53 37.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 63.420000000000002 109.271 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.481 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.5 m-20 -145.27 133.19 21.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 61.299999999999997 109.37 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.56 ' HB2' HD21 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -76.07 -1.15 24.55 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.536 1.148 . . . . 54.25 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.634 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.4 p-80 -121.3 44.12 2.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 64.25 109.535 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 520' ' ' PHE . 2.7 t -138.72 126.88 22.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.438 1.086 . . . . 70.329999999999998 109.985 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -74.23 -2.78 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 110.411 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.746 HD12 ' HB2' ' A' ' 522' ' ' ARG . 0.1 OUTLIER -109.35 -28.48 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 72.239999999999995 109.353 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.417 ' CB ' ' HB3' ' A' ' 517' ' ' SER . 1.6 t80 -40.51 -34.73 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 74.030000000000001 110.975 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -58.08 -46.53 85.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 43.240000000000002 109.278 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.746 ' HB2' HD12 ' A' ' 519' ' ' ILE . 10.0 mpt_? -73.13 -22.8 60.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 110.302 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.742 ' CD ' HD11 ' A' ' 519' ' ' ILE . 24.0 mmmt -70.8 -43.16 69.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 42.439999999999998 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.673 HG11 HD13 ' A' ' 419' ' ' LEU . 2.7 p -79.4 -41.26 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 52.299999999999997 109.335 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -69.7 -9.82 55.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 72.319999999999993 109.325 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -85.88 -50.46 7.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.409 1.068 . . . . 73.519999999999996 109.315 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.2 t -80.38 -53.99 6.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 55.539999999999999 110.421 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.527 ' CZ ' HD11 ' A' ' 453' ' ' ILE . 60.2 m-85 -86.86 58.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 73.340000000000003 111.048 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.779 ' O ' HD23 ' A' ' 533' ' ' LEU . 12.4 mmtt -59.86 157.57 28.99 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 74.310000000000002 109.309 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . 0.438 ' O ' ' NE2' ' A' ' 534' ' ' GLN . 18.3 Cg_endo -74.9 -36.44 2.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.475 1.776 . . . . 72.299999999999997 110.954 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.55 ' CE1' ' CB ' ' A' ' 529' ' ' LYS . 55.8 p-80 -61.83 -16.73 52.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.603 1.189 . . . . 72.310000000000002 109.614 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 536' ' ' ARG . 31.6 mmm-85 -99.36 -55.67 2.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 65.299999999999997 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 529' ' ' LYS . 3.8 mm? -40.25 -39.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 73.120000000000005 109.257 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 530' ' ' PRO . 6.4 mt-30 -76.61 -45.83 28.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 44.130000000000003 110.341 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' A' ' 532' ' ' ARG . . . -65.63 -12.94 57.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 53.509999999999998 109.314 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 532' ' ' ARG . 19.7 tpp180 -90.62 -35.62 14.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 73.120000000000005 110.352 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.453 ' CD ' ' HD2' ' A' ' 541' ' ' ARG . 0.0 OUTLIER -91.0 -13.68 32.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 64.540000000000006 109.219 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -69.01 -14.66 63.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.442 1.089 . . . . 51.210000000000001 109.257 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 12.6 mtm -92.58 -43.71 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.571 1.169 . . . . 54.450000000000003 111.053 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 66.7 m95 -68.74 -52.96 25.04 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.452 1.095 . . . . 72.239999999999995 108.054 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.453 ' HD2' ' CD ' ' A' ' 537' ' ' LYS . 36.9 mtt180 -38.98 -40.75 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 63.219999999999999 110.373 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.79 -62.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 61.119999999999997 109.251 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -60.67 -31.41 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 64.329999999999998 110.275 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.613 ' N ' HE21 ' A' ' 544' ' ' GLN . 6.9 mm-40 -68.28 -26.31 65.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 74.209999999999994 110.31 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 12.4 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.425 1.078 . . . . 63.039999999999999 109.216 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 6.3 tpt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.527 0.203 . . . . 72.329999999999998 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -78.61 137.34 37.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 110.329 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 34.8 m -90.17 19.66 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 64.040000000000006 110.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 44.6 t -135.08 19.06 3.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 60.420000000000002 109.978 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.2 t -84.05 100.55 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.129999999999995 109.977 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -85.09 178.84 7.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 71.519999999999996 110.242 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -91.84 -172.64 3.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 71.340000000000003 110.316 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -88.21 123.75 33.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 73.109999999999999 109.263 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.53 ' CD2' ' NZ ' ' A' ' 537' ' ' LYS . 11.9 t80 -159.04 162.51 36.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.125 . . . . 74.0 111.047 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.552 ' CD1' ' O ' ' A' ' 424' ' ' GLY . 15.8 m-30 -102.09 137.92 39.73 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.491 1.119 . . . . 74.430000000000007 110.964 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.791 ' OD1' HD13 ' A' ' 533' ' ' LEU . 9.6 m-80 -115.41 -9.38 12.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 73.109999999999999 109.269 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.808 ' CD2' HD12 ' A' ' 453' ' ' ILE . 10.8 p90 -169.38 145.69 3.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 445' ' ' ALA . 2.9 t -112.22 108.75 26.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 63.329999999999998 109.357 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.496 ' CG2' HD22 ' A' ' 455' ' ' LEU . 35.0 mt -72.87 92.29 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.484 1.115 . . . . 73.430000000000007 109.226 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.582 HD21 ' HD2' ' A' ' 427' ' ' PHE . 2.6 mt -72.07 100.66 2.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.497 1.123 . . . . 72.349999999999994 109.248 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.786 ' CB ' HD23 ' A' ' 455' ' ' LEU . 13.4 p80 -140.32 173.38 11.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.56 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -65.58 -171.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 52.299999999999997 109.358 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.03 -4.96 26.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 74.540000000000006 110.326 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.75 17.17 22.87 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.571 1.169 . . . . 72.239999999999995 109.307 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.627 ' HB3' HD12 ' A' ' 408' ' ' ILE . 0.0 OUTLIER -133.35 36.73 3.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.439999999999998 109.301 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.643 ' HG3' HD13 ' A' ' 410' ' ' LEU . 20.3 tt0 -62.12 -72.95 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 72.219999999999999 110.261 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 23.7 p-80 -42.32 -36.36 1.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 71.420000000000002 109.555 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.627 HD12 ' HB3' ' A' ' 405' ' ' ASP . 57.8 mt -58.07 -47.82 85.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 65.25 109.267 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.617 ' HB2' ' CD2' ' A' ' 401' ' ' HIS . . . -72.85 -56.1 5.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 73.430000000000007 109.353 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' A' ' 406' ' ' GLU . 9.0 mp -53.64 -20.42 5.23 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 109.345 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 18.7 ttp180 -77.09 -32.08 56.37 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 74.099999999999994 110.309 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.7 t -80.24 -49.68 18.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.299999999999997 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.481 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.9 mtm180 -36.55 -44.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 62.329999999999998 110.317 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.8 mm-40 -72.33 -57.27 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.43 1.081 . . . . 61.030000000000001 110.282 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.87 -28.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.866 ' HB3' HG13 ' A' ' 421' ' ' VAL . 95.9 mt -70.42 -44.31 68.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.085 . . . . 75.030000000000001 109.23 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 414' ' ' GLU . 4.2 mt-10 -64.3 -11.13 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 72.129999999999995 110.317 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -85.62 -6.27 59.18 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.577 1.173 . . . . 72.310000000000002 109.334 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.499 ' CD1' HG11 ' A' ' 524' ' ' VAL . 3.5 mt -120.8 -45.12 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 60.200000000000003 109.188 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 178.56 -76.21 0.07 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.535 1.147 . . . . 74.140000000000001 111.012 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.866 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -41.13 137.61 1.53 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 0.766 . . . . 74.030000000000001 109.257 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -74.94 -164.15 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.523 1.802 . . . . 65.200000000000003 111.078 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.535 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 3.3 p-10 -61.19 -43.67 98.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 52.130000000000003 109.213 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.699 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.73 -96.73 1.31 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.539 1.15 . . . . 51.25 111.042 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.699 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 161.68 -172.54 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.559 0.799 . . . . 64.010000000000005 109.216 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.486 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 3.8 p -152.4 152.56 32.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.513 1.133 . . . . 75.209999999999994 110.441 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 1.017 ' CD1' HD21 ' A' ' 439' ' ' LEU . 7.7 t80 -133.12 129.04 37.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.957 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 22.1 p -137.24 125.94 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 63.329999999999998 108.346 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -61.85 124.58 21.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 63.409999999999997 110.315 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.57 ' HB3' HG13 ' A' ' 433' ' ' VAL . 0.8 OUTLIER -158.38 129.16 6.26 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 71.209999999999994 109.329 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.19 13.8 16.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 72.430000000000007 111.047 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 19.0 mp0 -120.71 -4.29 9.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.549999999999997 110.252 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.57 HG13 ' HB3' ' A' ' 430' ' ' ASP . 0.9 OUTLIER -47.03 171.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 74.310000000000002 109.268 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -48.53 -44.46 36.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 70.310000000000002 109.6 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 95.95 45.7 2.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.12 . . . . 62.340000000000003 110.988 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -110.33 5.31 21.51 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.381 0.695 . . . . 74.430000000000007 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 76.66 96.15 0.18 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.476 1.11 . . . . 54.539999999999999 111.036 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -83.21 -75.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.58 0.812 . . . . 70.540000000000006 110.341 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 1.017 HD21 ' CD1' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -133.52 170.29 15.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 65.099999999999994 109.254 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.592 ' N ' HD12 ' A' ' 439' ' ' LEU . 2.0 m -73.89 -69.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 63.409999999999997 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.548 ' N ' ' CD1' ' A' ' 439' ' ' LEU . 2.5 t -174.51 169.82 3.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 61.409999999999997 108.251 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.736 HD13 ' C ' ' A' ' 442' ' ' LEU . 0.1 OUTLIER -52.31 -33.42 42.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 73.140000000000001 109.314 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.492 ' N ' HD13 ' A' ' 442' ' ' LEU . 10.5 tp60 -60.88 -32.69 72.12 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 72.019999999999996 110.419 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.539 ' O ' ' CG ' ' A' ' 448' ' ' HIS . 1.4 t0 -79.63 -3.3 46.51 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.455 1.097 . . . . 75.340000000000003 109.278 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.831 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -101.69 -31.3 10.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 61.25 109.295 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 1.018 ' CD1' HG23 ' A' ' 469' ' ' VAL . 1.2 tt -78.88 -15.76 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 73.430000000000007 109.277 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.55 -43.29 5.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 70.329999999999998 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.539 ' CG ' ' O ' ' A' ' 444' ' ' ASP . 0.7 OUTLIER -78.33 -64.61 1.13 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.616 1.197 . . . . 64.010000000000005 109.519 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.444 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.4 OUTLIER -70.96 154.0 42.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.420000000000002 109.917 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -61.93 -79.9 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.47 1.107 . . . . 44.520000000000003 109.264 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.558 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 21.7 m-85 -117.75 138.32 52.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 73.400000000000006 111.031 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.831 HD11 ' C ' ' A' ' 445' ' ' ALA . 6.1 mm -82.22 137.85 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.587 1.18 . . . . 65.010000000000005 109.359 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.808 HD12 ' CD2' ' A' ' 397' ' ' PHE . 60.4 mt -110.77 122.37 65.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.421 1.075 . . . . 62.420000000000002 109.31 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 465' ' ' SER . 12.3 mt -94.81 107.54 19.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 55.210000000000001 109.365 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.786 HD23 ' CB ' ' A' ' 401' ' ' HIS . 6.8 tp -73.09 96.73 2.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 72.109999999999999 109.365 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 488' ' ' PRO . 5.5 mt -74.99 97.68 3.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.433 1.083 . . . . 71.519999999999996 109.273 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.558 HG22 ' CD ' ' A' ' 491' ' ' PRO . 6.6 p -143.57 147.18 34.03 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.58 1.175 . . . . 73.319999999999993 110.427 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -15.5 18.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.508 1.13 . . . . 72.450000000000003 109.987 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.532 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 16.2 m120 -85.64 -23.54 27.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 75.120000000000005 109.226 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.436 ' CG ' ' N ' ' A' ' 461' ' ' ASP . 50.0 t80 -108.11 173.91 6.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 64.519999999999996 110.984 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.436 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 19.8 m-20 -133.78 105.08 6.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 74.010000000000005 109.323 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 464' ' ' LEU . 8.2 p -63.64 -38.62 91.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 72.450000000000003 108.277 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 13.4 mtm105 -38.63 -31.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 64.040000000000006 110.389 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.456 HD13 ' OE1' ' A' ' 468' ' ' GLN . 0.8 OUTLIER -83.36 -66.72 0.86 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 70.400000000000006 109.352 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.777 ' HB2' HD22 ' A' ' 454' ' ' LEU . 59.8 p -39.35 -62.65 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.394 1.058 . . . . 73.450000000000003 109.991 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.466 HD13 ' ND2' ' A' ' 470' ' ' ASN . 2.0 tm? -48.72 -40.24 27.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.400000000000006 109.303 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.2 OUTLIER -68.55 -29.59 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 75.120000000000005 109.615 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.456 ' OE1' HD13 ' A' ' 464' ' ' LEU . 79.8 mt-30 -75.03 -70.12 0.43 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.618 1.199 . . . . 71.209999999999994 110.28 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.018 HG23 ' CD1' ' A' ' 446' ' ' ILE . 2.8 p -44.91 -51.45 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.098 . . . . 61.340000000000003 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 466' ' ' LEU . 1.0 OUTLIER -40.23 -50.6 2.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 64.019999999999996 109.32 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.42 ' HA ' ' CG ' ' A' ' 474' ' ' MET . 14.0 mm-40 -70.89 -41.2 71.6 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 62.210000000000001 110.335 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.654 ' HB1' HG21 ' A' ' 446' ' ' ILE . . . -60.38 -19.92 57.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.416 1.073 . . . . 52.299999999999997 109.182 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.497 ' O ' ' CD2' ' A' ' 477' ' ' LEU . 35.5 mtt -84.03 -54.12 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 72.049999999999997 111.018 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.42 ' CG ' ' HA ' ' A' ' 471' ' ' GLN . 0.7 OUTLIER -71.6 -3.87 23.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 70.010000000000005 111.033 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.436 ' OG ' ' NE2' ' A' ' 443' ' ' GLN . 76.4 p -80.86 -53.55 6.37 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.55 1.156 . . . . 73.219999999999999 110.0 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.444 ' O ' ' NE2' ' A' ' 480' ' ' GLN . 11.2 p-10 -134.93 92.93 2.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 54.229999999999997 109.34 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 473' ' ' MET . 17.4 mt -89.94 -39.28 13.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.291 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 8.8 t -65.73 -10.08 33.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.488 1.118 . . . . 74.409999999999997 110.474 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -78.52 -73.5 0.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 110.282 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.445 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.1 OUTLIER -113.21 -26.12 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.355 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 37.56 63.0 0.88 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.537 1.148 . . . . 64.439999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -132.86 95.16 19.66 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.495 0.762 . . . . 73.530000000000001 110.049 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.454 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.4 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.464 1.771 . . . . 75.510000000000005 110.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.21 43.36 1.89 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 63.329999999999998 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . 0.416 ' SG ' ' CE ' ' A' ' 473' ' ' MET . 26.0 p -111.89 23.58 13.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 61.310000000000002 108.275 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.852 HG22 HG21 ' A' ' 469' ' ' VAL . 3.7 t -119.02 119.22 60.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.589 1.181 . . . . 70.25 109.25 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.795 ' CG2' HD22 ' A' ' 513' ' ' LEU . 0.4 OUTLIER -120.33 101.34 46.8 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.430000000000007 109.253 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.608 ' HB2' HD11 ' A' ' 456' ' ' LEU . 18.4 Cg_endo -75.0 97.2 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 70.430000000000007 111.077 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 412' ' ' VAL . 4.9 t80 -77.69 169.74 17.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 73.239999999999995 111.046 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.505 HD11 ' CD ' ' A' ' 496' ' ' PRO . 1.8 tt -157.07 103.42 1.9 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.447 1.092 . . . . 51.32 109.347 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.558 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -75.02 174.13 13.33 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.568 1.826 . . . . 74.430000000000007 111.043 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.654 ' N ' HD12 ' A' ' 492' ' ' LEU . 2.6 mp -79.43 -25.68 41.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.642 1.214 . . . . 44.229999999999997 109.329 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.34 -33.45 75.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 55.25 110.397 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -111.65 -179.58 3.74 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.485 1.116 . . . . 44.100000000000001 109.977 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.24 162.23 33.37 Favored Pre-proline 0 C--N 1.324 -0.54 0 O-C-N 124.613 1.196 . . . . 70.030000000000001 110.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.505 ' CD ' HD11 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 -25.28 11.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.753 . . . . 64.030000000000001 110.996 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -72.13 -24.55 61.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 60.43 109.205 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.494 ' C ' HD23 ' A' ' 499' ' ' LEU . 1.5 mt-30 -73.6 -8.24 55.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 71.140000000000001 110.272 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 499' ' ' LEU . 2.2 mt -100.34 163.73 12.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.583 1.177 . . . . 70.019999999999996 109.327 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 1.5 t -74.4 161.18 30.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.581 1.176 . . . . 72.010000000000005 109.981 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 75.2 m -68.2 -8.76 41.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 62.200000000000003 109.995 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 505' ' ' SER . 9.1 m-20 -84.07 -34.26 24.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 64.409999999999997 109.306 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.809 ' HA ' HD12 ' A' ' 506' ' ' LEU . 15.7 m -44.35 -47.99 9.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.162 . . . . 64.409999999999997 110.402 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -55.6 -35.59 65.98 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 22.449999999999999 109.21 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.4 m -84.1 -22.03 31.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 65.340000000000003 110.05 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 503' ' ' THR . 97.4 mt -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 1.135 . . . . 63.43 109.352 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -121.68 24.2 9.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 75.319999999999993 109.301 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.64 99.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 63.340000000000003 110.0 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 131.38 -24.12 4.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.585 1.178 . . . . 44.240000000000002 111.095 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.733 HD22 ' O ' ' A' ' 486' ' ' VAL . 39.5 mt -74.98 179.65 4.83 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.579 0.811 . . . . 65.049999999999997 109.309 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 55.1 t -109.78 102.09 13.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 75.510000000000005 109.295 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -64.7 125.31 24.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.607 1.192 . . . . 73.0 110.265 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.795 HD22 ' CG2' ' A' ' 487' ' ' ILE . 0.6 OUTLIER -96.1 129.08 43.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.407 1.067 . . . . 70.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.55 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.68 133.58 50.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.091 . . . . 72.340000000000003 109.359 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.494 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 14.8 tp10 -82.11 -23.33 35.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 62.32 110.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.485 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.2 OUTLIER -91.44 5.68 48.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 73.430000000000007 109.588 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.5 t -89.66 149.4 22.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 74.099999999999994 110.026 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.13 -8.24 33.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 70.120000000000005 110.284 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.777 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.62 -25.53 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 52.119999999999997 109.276 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.55 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.4 OUTLIER -40.13 -35.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 64.510000000000005 110.989 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.87 -47.02 74.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 75.129999999999995 109.327 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.735 ' HB2' HD12 ' A' ' 519' ' ' ILE . 9.6 mpt_? -74.7 -19.52 60.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.540000000000006 110.205 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.777 ' HD3' HD11 ' A' ' 519' ' ' ILE . 14.5 mmmt -76.04 -40.06 54.21 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 75.299999999999997 109.229 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.6 HG23 HD21 ' A' ' 513' ' ' LEU . 1.4 p -80.16 -45.06 22.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 73.25 109.223 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.417 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -65.45 -11.43 42.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.088 . . . . 73.519999999999996 109.297 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.8 m-20 -88.97 -57.05 3.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 73.239999999999995 109.226 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.644 HG21 ' CD1' ' A' ' 487' ' ' ILE . 5.9 t -69.98 -54.58 12.61 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.505 1.128 . . . . 71.099999999999994 110.401 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.652 ' CE2' HD11 ' A' ' 453' ' ' ILE . 34.6 m-85 -86.9 41.71 0.98 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 65.019999999999996 111.019 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.682 ' O ' HD23 ' A' ' 533' ' ' LEU . 17.3 mttm -40.44 154.79 0.2 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.467 1.104 . . . . 74.340000000000003 109.317 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -55.93 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.439 1.757 . . . . 63.43 111.063 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.535 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -59.27 -15.89 18.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.418 1.074 . . . . 72.239999999999995 109.656 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 536' ' ' ARG . 0.7 OUTLIER -91.22 -42.71 10.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 75.109999999999999 110.25 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.791 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.3 OUTLIER -54.39 -47.15 73.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -73.57 -45.08 55.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 64.230000000000004 110.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.744 ' HA ' ' HB3' ' A' ' 538' ' ' ALA . . . -67.23 -10.22 48.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 61.32 109.212 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.499 ' O ' ' CE ' ' A' ' 539' ' ' MET . 22.7 tpt180 -56.2 -48.5 76.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 62.140000000000001 110.276 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.53 ' NZ ' ' CD2' ' A' ' 394' ' ' PHE . 0.0 OUTLIER -100.24 -5.44 27.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.329999999999998 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.744 ' HB3' ' HA ' ' A' ' 535' ' ' ALA . . . -101.32 -0.58 35.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 70.349999999999994 109.288 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.499 ' CE ' ' O ' ' A' ' 536' ' ' ARG . 22.7 ptp -63.33 -37.39 87.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.439 1.087 . . . . 71.540000000000006 111.032 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.449 ' N ' ' HG3' ' A' ' 539' ' ' MET . 36.3 m95 -77.98 -39.74 41.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.894 -1.15 . . . . 72.230000000000004 107.894 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.5 ' CG ' ' HA ' ' A' ' 538' ' ' ALA . 21.0 mmt180 -38.47 -44.36 0.93 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 110.315 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -66.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.13 -27.87 55.72 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 63.32 110.29 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -71.08 -30.52 66.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 64.120000000000005 110.3 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 74.129999999999995 109.275 -179.941 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.457 0.17 . . . . 72.510000000000005 110.99 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.57 126.27 16.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 71.129999999999995 110.332 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 15.3 m -113.83 20.78 15.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 65.439999999999998 109.986 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 1.2 m -133.33 20.01 4.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 53.310000000000002 110.047 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 29.7 t -93.92 171.67 8.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 65.349999999999994 110.003 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -72.46 179.53 3.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 63.030000000000001 110.272 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -114.76 100.2 8.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 70.319999999999993 110.279 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -148.2 141.52 25.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.592 1.182 . . . . 70.340000000000003 109.262 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.484 ' CG ' ' O ' ' A' ' 394' ' ' PHE . 24.2 p90 -119.08 122.37 41.96 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 62.340000000000003 111.02 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.5 m-30 -113.73 144.27 43.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 63.5 111.039 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.584 ' HB3' HD11 ' A' ' 533' ' ' LEU . 0.0 OUTLIER -101.38 -21.94 14.7 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 109.36 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.88 ' CG ' HD12 ' A' ' 453' ' ' ILE . 4.7 p90 -173.8 -177.9 1.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.08 . . . . 71.120000000000005 111.066 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.685 HG12 ' O ' ' A' ' 398' ' ' VAL . 1.6 t -135.14 93.15 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 73.010000000000005 109.35 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.589 HG13 ' CE1' ' A' ' 397' ' ' PHE . 93.6 mt -69.05 97.67 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 44.130000000000003 109.358 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.867 HD23 ' O ' ' A' ' 427' ' ' PHE . 5.6 mt -80.54 95.06 6.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 73.519999999999996 109.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.486 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.5 p80 -123.15 173.14 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.566 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.452 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -71.47 -160.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 44.119999999999997 109.286 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -98.92 -15.01 19.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.165 . . . . 73.319999999999993 110.294 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.4 16.58 23.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 61.119999999999997 109.351 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.562 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.1 OUTLIER -120.27 28.01 8.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 72.340000000000003 109.375 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.486 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 24.7 tt0 -65.76 -77.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 71.230000000000004 110.305 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.548 ' CE1' HG13 ' A' ' 408' ' ' ILE . 2.5 p-80 -39.46 -34.57 0.22 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 63.009999999999998 109.61 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.548 HG13 ' CE1' ' A' ' 407' ' ' HIS . 64.7 mt -59.44 -53.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.45 1.094 . . . . 74.230000000000004 109.32 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -67.37 -52.24 42.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 54.530000000000001 109.279 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 410' ' ' LEU . 3.0 mt -47.8 -24.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 53.399999999999999 109.304 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 8.1 ttm-85 -77.86 -38.86 45.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 74.340000000000003 110.253 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.478 HG21 ' CE1' ' A' ' 489' ' ' PHE . 3.1 t -68.35 -54.63 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.544 1.152 . . . . 72.409999999999997 109.368 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.64 ' HA ' HD12 ' A' ' 416' ' ' LEU . 9.7 mtm180 -37.04 -47.38 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 74.099999999999994 110.303 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 417' ' ' GLU . 23.4 mm-40 -74.74 -49.22 21.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 75.450000000000003 110.285 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.55 -24.86 3.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 1.133 . . . . 63.219999999999999 109.253 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.943 ' HB3' HG13 ' A' ' 421' ' ' VAL . 13.8 mt -75.68 -35.53 60.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 72.019999999999996 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.441 ' OE1' ' HA ' ' A' ' 422' ' ' PRO . 3.6 mt-10 -66.7 -8.37 27.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.428 1.08 . . . . 75.310000000000002 110.32 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -92.06 -6.03 51.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 53.299999999999997 109.315 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.565 HD13 HG11 ' A' ' 524' ' ' VAL . 5.9 mt -117.73 -45.01 2.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 74.120000000000005 109.247 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 172.42 -71.79 0.1 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.448 1.093 . . . . 65.230000000000004 111.026 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.943 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.8 OUTLIER -46.73 137.64 7.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.606 0.827 . . . . 64.099999999999994 109.28 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.485 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.5 Cg_endo -74.96 -165.54 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.431 1.753 . . . . 71.430000000000007 111.062 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.471 ' CA ' ' HB3' ' A' ' 413' ' ' ARG . 7.1 p-10 -50.87 -47.75 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 109.319 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.615 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 86.45 -101.55 2.63 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.601 1.188 . . . . 72.340000000000003 111.015 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 169.03 173.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 0.749 . . . . 64.140000000000001 109.298 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.471 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 4.9 p -151.29 120.67 6.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 73.409999999999997 110.402 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.867 ' O ' HD23 ' A' ' 400' ' ' LEU . 2.3 t80 -94.14 90.45 6.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 63.299999999999997 111.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 25.1 p -114.63 87.56 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 32.210000000000001 108.282 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . 0.5 ' CG ' ' OE1' ' A' ' 438' ' ' GLU . 23.5 tp10 -116.43 143.8 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 73.310000000000002 110.292 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 429' ' ' GLU . 12.5 t0 -40.16 106.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 70.329999999999998 109.191 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -75.05 -2.05 25.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 110.991 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -54.67 -19.08 5.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.418 1.074 . . . . 70.430000000000007 110.303 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.725 HG21 ' HG2' ' A' ' 438' ' ' GLU . 15.9 m -68.39 -179.43 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 75.019999999999996 109.303 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -56.09 -60.51 3.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.564 1.165 . . . . 73.219999999999999 109.559 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . 0.415 ' O ' ' CD2' ' A' ' 467' ' ' HIS . . . 120.93 47.94 0.3 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.514 1.134 . . . . 70.329999999999998 111.012 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . 0.51 ' HD3' ' CE1' ' A' ' 467' ' ' HIS . 5.0 mmm180 -135.07 39.18 2.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.583 0.813 . . . . 75.420000000000002 110.366 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 90.44 115.06 1.7 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.594 1.184 . . . . 70.129999999999995 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.725 ' HG2' HG21 ' A' ' 433' ' ' VAL . 8.3 mt-10 -92.7 -58.61 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 0.771 . . . . 74.400000000000006 110.34 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.68 ' O ' HD12 ' A' ' 439' ' ' LEU . 0.2 OUTLIER -88.92 148.89 23.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 70.040000000000006 109.329 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 16.3 t -65.1 -13.7 58.69 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 110.052 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.585 ' C ' HD13 ' A' ' 439' ' ' LEU . 0.1 OUTLIER -94.42 32.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 74.049999999999997 108.342 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 442' ' ' LEU . 2.0 tm? -74.93 -67.92 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 63.109999999999999 109.308 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.472 ' HG2' ' CB ' ' A' ' 472' ' ' ALA . 19.0 mt-30 -70.99 -11.12 60.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 54.109999999999999 110.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 1.1 t70 -72.06 -13.73 61.67 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 72.049999999999997 109.279 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.654 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -87.38 -11.76 48.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 75.450000000000003 109.288 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 1.052 HD11 HG23 ' A' ' 469' ' ' VAL . 5.2 mt -98.03 -21.51 5.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.264 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -104.03 -43.82 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.616 1.197 . . . . 71.120000000000005 109.283 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.495 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 4.5 t-160 -78.7 -56.68 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.594 1.184 . . . . 75.230000000000004 109.658 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.461 ' OG ' ' N ' ' A' ' 397' ' ' PHE . 0.2 OUTLIER -70.91 153.05 43.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 60.030000000000001 109.997 179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -65.11 -69.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.404 1.065 . . . . 41.149999999999999 109.337 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.571 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 14.7 m-85 -134.99 133.93 39.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 74.129999999999995 110.924 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.654 HD11 ' C ' ' A' ' 445' ' ' ALA . 13.2 mm -69.06 131.63 33.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 74.349999999999994 109.296 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.88 HD12 ' CG ' ' A' ' 397' ' ' PHE . 82.9 mt -105.92 125.12 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 75.030000000000001 109.315 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.863 ' CD2' HG13 ' A' ' 486' ' ' VAL . 0.6 OUTLIER -107.28 91.28 3.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 64.329999999999998 109.206 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 457' ' ' THR . 9.1 tp -62.63 80.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.512 1.132 . . . . 70.140000000000001 109.326 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.66 HD22 ' SG ' ' A' ' 462' ' ' CYS . 8.5 mt -62.49 92.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 74.349999999999994 109.272 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 455' ' ' LEU . 31.5 p -124.76 145.18 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.633 1.208 . . . . 71.140000000000001 110.345 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -18.67 5.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 65.319999999999993 110.051 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -88.7 -26.67 21.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 73.439999999999998 109.343 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 400' ' ' LEU . 58.5 t80 -100.97 171.78 7.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 75.099999999999994 111.085 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.519 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 6.2 m-20 -123.97 127.16 47.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 62.229999999999997 109.306 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.66 ' SG ' HD22 ' A' ' 456' ' ' LEU . 3.3 m -79.05 -50.15 11.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 61.020000000000003 108.376 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.456 ' O ' ' CB ' ' A' ' 467' ' ' HIS . 16.7 mtp180 -38.73 -30.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 75.420000000000002 110.411 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 467' ' ' HIS . 1.2 tm? -74.26 -75.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.155 . . . . 73.209999999999994 109.222 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.77 ' HB3' HD13 ' A' ' 400' ' ' LEU . 0.2 OUTLIER -41.77 -59.49 1.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 55.109999999999999 110.049 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.447 ' O ' ' ND2' ' A' ' 470' ' ' ASN . 1.9 tm? -49.42 -36.36 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 72.129999999999995 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.51 ' CE1' ' HD3' ' A' ' 436' ' ' ARG . 6.7 t60 -76.11 -27.88 57.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 65.549999999999997 109.654 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 465' ' ' SER . 3.7 mt-30 -77.0 -66.36 0.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 72.310000000000002 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 1.052 HG23 HD11 ' A' ' 446' ' ' ILE . 7.1 p -47.36 -52.96 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.371 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.482 ' N ' HG13 ' A' ' 469' ' ' VAL . 1.2 m-80 -40.4 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 73.209999999999994 109.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.506 ' O ' ' CB ' ' A' ' 475' ' ' SER . 17.8 mm-40 -48.87 -46.82 43.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 74.400000000000006 110.259 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.62 ' HB3' HD12 ' A' ' 446' ' ' ILE . . . -52.18 -40.19 61.15 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 54.210000000000001 109.228 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.442 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 3.4 mmt -70.15 -64.26 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 72.040000000000006 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.538 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -58.97 -14.53 9.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.125 . . . . 73.209999999999994 111.047 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 41.9 t -91.94 -19.83 22.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 75.140000000000001 109.967 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.45 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.6 t30 -143.58 87.7 1.95 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.138 . . . . 64.450000000000003 109.295 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.538 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.7 mt -111.02 -20.96 12.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 109.226 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.0 t -72.42 -4.13 28.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 73.219999999999999 110.361 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.39 -74.5 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 71.549999999999997 110.285 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.45 ' OE1' ' ND2' ' A' ' 476' ' ' ASN . 0.3 OUTLIER -116.17 -30.61 5.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.508 1.13 . . . . 72.329999999999998 110.321 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' A' ' 477' ' ' LEU . . . 37.67 44.62 1.35 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 111.019 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 7.8 m -111.51 97.81 37.99 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.434 0.726 . . . . 53.420000000000002 109.979 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.442 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 17.9 Cg_endo -75.09 0.3 9.11 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.514 1.797 . . . . 63.039999999999999 110.99 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.5 15.78 20.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 109.291 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 84.3 m -94.12 37.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 108.223 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.863 HG13 ' CD2' ' A' ' 454' ' ' LEU . 13.6 t -121.58 141.56 41.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 72.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.863 HD13 ' O ' ' A' ' 486' ' ' VAL . 5.4 mm -142.43 94.93 6.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.148 . . . . 62.109999999999999 109.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.514 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.1 Cg_endo -75.03 99.28 1.24 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.564 1.823 . . . . 70.530000000000001 110.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.4 t80 -77.95 169.05 18.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.502 1.126 . . . . 75.540000000000006 110.953 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.547 HD22 ' HD2' ' A' ' 491' ' ' PRO . 1.8 tm? -152.88 103.39 2.66 Favored Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.464 1.103 . . . . 70.010000000000005 109.211 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.547 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.4 Cg_endo -75.01 159.88 40.79 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 63.310000000000002 110.973 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 1.025 HD21 ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -69.89 -27.74 65.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 53.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -67.1 -28.24 68.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 71.209999999999994 110.28 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.42 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 29.7 m -117.61 175.73 5.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 62.43 110.016 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.32 165.56 18.59 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 51.020000000000003 110.038 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -30.77 6.87 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.435 1.755 . . . . 62.200000000000003 111.023 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.97 71.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 74.340000000000003 109.32 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -71.01 -6.09 36.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 75.549999999999997 110.394 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 456' ' ' LEU . 12.6 mt -98.98 163.66 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.075 . . . . 64.299999999999997 109.299 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 9.9 m -55.41 -179.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 72.319999999999993 109.965 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 7.4 t -86.21 -23.24 26.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.542 1.151 . . . . 64.310000000000002 110.047 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 505' ' ' SER . 21.3 t0 -77.02 -33.38 57.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.219999999999999 109.315 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 506' ' ' LEU . 1.0 OUTLIER -43.64 -44.94 6.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.403 1.065 . . . . 75.109999999999999 110.358 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . 0.483 ' O ' ' CA ' ' A' ' 508' ' ' SER . . . -58.53 -37.25 75.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 42.310000000000002 109.304 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 502' ' ' ASP . 1.6 t -82.31 -18.94 40.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.532 1.145 . . . . 41.009999999999998 109.965 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.823 HD12 ' HA ' ' A' ' 503' ' ' THR . 88.7 mt -71.71 -39.35 70.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.591 1.182 . . . . 73.129999999999995 109.3 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -125.97 25.47 6.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 62.100000000000001 109.278 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . 0.483 ' CA ' ' O ' ' A' ' 504' ' ' ALA . 0.1 OUTLIER -54.44 -31.68 55.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 74.200000000000003 110.034 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.5 -30.87 5.44 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.546 1.154 . . . . 71.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 8.2 mt -58.03 150.04 21.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 51.32 109.363 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 29.4 t -76.04 107.43 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 55.240000000000002 109.282 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -69.51 119.19 13.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 72.349999999999994 110.357 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.755 HD22 ' CG2' ' A' ' 487' ' ' ILE . 1.9 tp -102.06 142.88 32.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 74.239999999999995 109.331 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 2.2 m-20 -144.59 167.44 22.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 73.030000000000001 109.291 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 1.025 ' CD ' HD21 ' A' ' 492' ' ' LEU . 0.0 OUTLIER -106.76 -4.75 19.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.118 . . . . 70.0 110.239 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.489 ' CG ' HD12 ' A' ' 492' ' ' LEU . 0.8 OUTLIER -110.09 31.43 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 74.439999999999998 109.541 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.9 t -122.56 129.95 52.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 53.530000000000001 109.99 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -76.9 -1.95 31.08 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.608 1.193 . . . . 73.219999999999999 110.231 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.766 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.8 -27.04 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 61.310000000000002 109.329 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 1.1 t80 -39.91 -35.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.425 1.078 . . . . 72.439999999999998 111.033 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.408 ' HB1' HD22 ' A' ' 419' ' ' LEU . . . -56.29 -47.19 79.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.137 . . . . 65.010000000000005 109.285 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.73 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.5 mpt_? -73.61 -20.16 60.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 60.229999999999997 110.307 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.766 ' CD ' HD11 ' A' ' 519' ' ' ILE . 27.9 mmmt -74.34 -44.4 52.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 41.25 109.323 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.565 HG11 HD13 ' A' ' 419' ' ' LEU . 1.3 p -76.34 -43.09 36.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.302 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -68.57 -8.78 44.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 71.010000000000005 109.34 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 7.4 m-20 -89.37 -50.25 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 72.109999999999999 109.252 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.554 HG23 ' CD2' ' A' ' 528' ' ' PHE . 10.0 t -85.19 -54.35 4.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 61.009999999999998 110.384 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 451' ' ' PHE . 67.6 m-85 -86.3 55.77 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 73.430000000000007 111.13 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.808 ' O ' HD23 ' A' ' 533' ' ' LEU . 59.4 mttt -64.87 159.63 61.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 72.239999999999995 109.278 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -38.11 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.468 1.773 . . . . 73.319999999999993 110.993 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -76.27 -3.16 35.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 71.450000000000003 109.639 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 536' ' ' ARG . 11.4 tpt85 -101.9 -28.85 12.17 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.548 1.155 . . . . 73.319999999999993 110.305 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.808 HD23 ' O ' ' A' ' 529' ' ' LYS . 4.1 mm? -72.25 -52.89 14.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 71.109999999999999 109.215 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.58 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 2.5 pt20 -67.64 -35.9 79.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 61.030000000000001 110.264 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 534' ' ' GLN . . . -71.08 -35.53 71.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.304 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.405 ' CB ' ' O ' ' A' ' 532' ' ' ARG . 13.2 tpt180 -77.97 -31.89 51.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.407 1.067 . . . . 75.010000000000005 110.211 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -88.48 -16.7 32.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 73.219999999999999 109.323 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 534' ' ' GLN . . . -58.56 -28.98 66.02 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 75.230000000000004 109.338 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.486 ' O ' ' CG ' ' A' ' 542' ' ' LYS . 74.4 mtm -68.69 -21.43 64.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 73.450000000000003 110.999 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 76.8 m95 -97.68 -30.76 12.64 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.967 -1.123 . . . . 75.519999999999996 107.967 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' ' 544' ' ' GLN . 0.7 OUTLIER -64.32 -35.74 81.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.167 . . . . 70.140000000000001 110.305 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 539' ' ' MET . 0.0 OUTLIER -48.12 -35.47 11.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 74.230000000000004 109.242 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -78.73 -29.45 45.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 74.019999999999996 110.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 541' ' ' ARG . 50.0 mm-40 -73.12 -32.49 64.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 75.109999999999999 110.293 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 19.6 t0 . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.544 1.153 . . . . 75.129999999999995 109.266 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 2.8 mtt . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 120.512 0.196 . . . . 73.219999999999999 110.985 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -86.23 -178.24 6.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 71.409999999999997 110.314 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 69.3 m -100.72 61.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 74.519999999999996 110.032 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 7.8 t 56.35 47.99 17.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 70.230000000000004 109.96 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 26.1 p -86.27 83.98 7.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 75.120000000000005 110.03 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -79.56 -177.33 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 70.439999999999998 110.264 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . 0.597 ' O ' ' CE1' ' A' ' 394' ' ' PHE . 26.3 tt0 -152.78 151.91 31.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.514 1.134 . . . . 75.030000000000001 110.238 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.36 123.65 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 44.049999999999997 109.3 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 392' ' ' GLN . 2.7 m-85 -105.43 171.49 7.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 74.450000000000003 111.013 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -103.38 168.61 9.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 73.319999999999993 110.868 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.746 ' OD1' HD12 ' A' ' 533' ' ' LEU . 1.5 m-80 -111.54 -14.11 13.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 64.25 109.243 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.838 ' CD2' HD12 ' A' ' 453' ' ' ILE . 7.4 p90 -171.7 124.13 0.55 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.405 1.065 . . . . 72.439999999999998 111.02 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.658 HG12 HG23 ' A' ' 452' ' ' ILE . 1.2 p -88.55 112.24 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.030000000000001 109.361 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.769 HD11 ' HE2' ' A' ' 397' ' ' PHE . 47.4 mt -83.4 105.51 13.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 74.510000000000005 109.357 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.634 HD23 ' O ' ' A' ' 427' ' ' PHE . 0.7 OUTLIER -86.49 121.84 29.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 74.150000000000006 109.344 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.531 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 19.1 p80 -152.56 -173.17 4.47 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.554 1.159 . . . . 64.310000000000002 109.605 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.457 ' O ' ' ND1' ' A' ' 401' ' ' HIS . . . -85.54 -159.96 0.49 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 64.219999999999999 109.301 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -99.25 -14.88 19.08 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 73.230000000000004 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.51 17.11 23.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 74.129999999999995 109.353 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.82 ' OD1' HG21 ' A' ' 457' ' ' THR . 0.5 OUTLIER -124.45 27.67 6.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 74.109999999999999 109.307 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.588 ' HG2' HD13 ' A' ' 410' ' ' LEU . 33.0 tt0 -64.46 -72.69 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 72.209999999999994 110.359 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 27.5 p-80 -41.44 -36.16 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 75.019999999999996 109.6 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.761 HD12 ' CG ' ' A' ' 405' ' ' ASP . 56.6 mt -59.11 -49.69 82.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 52.420000000000002 109.32 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -70.4 -57.27 5.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 73.439999999999998 109.316 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.588 HD13 ' HG2' ' A' ' 406' ' ' GLU . 9.5 mp -52.46 -21.4 3.67 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 72.409999999999997 109.294 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.476 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 6.6 ttt85 -79.11 -31.94 44.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 74.219999999999999 110.253 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 416' ' ' LEU . 3.3 t -79.32 -47.94 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.450000000000003 109.31 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.478 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 10.5 mtm180 -37.86 -49.37 1.2 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.558 1.161 . . . . 72.040000000000006 110.213 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 417' ' ' GLU . 8.0 mm-40 -73.28 -52.59 13.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.617 1.198 . . . . 65.150000000000006 110.32 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.446 ' NZ ' ' OE1' ' A' ' 515' ' ' GLU . 0.1 OUTLIER -48.77 -23.85 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.436 1.085 . . . . 73.329999999999998 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.871 ' HB3' HG13 ' A' ' 421' ' ' VAL . 44.8 mt -78.84 -39.44 35.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 109.316 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.459 ' CD ' ' HA ' ' A' ' 422' ' ' PRO . 2.8 mt-10 -65.78 -9.31 27.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 72.540000000000006 110.363 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . -87.74 -6.73 58.05 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.501 1.126 . . . . 24.239999999999998 109.294 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.503 ' CD1' HG11 ' A' ' 524' ' ' VAL . 4.0 mt -119.34 -45.11 2.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.396 1.06 . . . . 74.219999999999999 109.263 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . . . . . . . . . . . 179.13 -78.69 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.482 1.114 . . . . 54.409999999999997 111.016 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.871 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.82 138.06 1.08 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.521 0.777 . . . . 54.43 109.232 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.463 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.4 Cg_endo -74.99 -163.03 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.531 1.806 . . . . 70.340000000000003 110.927 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.516 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 10.2 p-10 -62.22 -42.84 99.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.451 1.094 . . . . 73.219999999999999 109.308 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.684 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.77 -96.84 1.32 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.44 1.088 . . . . 71.140000000000001 111.042 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.05 -173.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.598 0.822 . . . . 72.219999999999999 109.352 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.478 ' CG2' ' HD3' ' A' ' 413' ' ' ARG . 5.0 p -152.18 117.63 5.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 71.209999999999994 110.384 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.891 ' CE1' HD21 ' A' ' 439' ' ' LEU . 1.5 t80 -107.17 92.97 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 44.049999999999997 111.018 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.412 ' CB ' ' O ' ' A' ' 401' ' ' HIS . 14.2 p -101.68 167.43 10.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 74.230000000000004 108.266 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . 0.435 ' OE2' ' NH2' ' A' ' 436' ' ' ARG . 41.6 tt0 -98.9 118.18 35.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.597 1.186 . . . . 72.430000000000007 110.327 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.29 144.67 45.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 73.420000000000002 109.359 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -110.81 2.35 18.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 50.049999999999997 110.901 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -76.29 -26.5 55.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 62.219999999999999 110.34 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 435' ' ' GLY . 27.1 m -70.08 174.95 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 73.230000000000004 109.284 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -52.57 -38.07 59.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 73.230000000000004 109.596 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 433' ' ' VAL . . . 173.58 -135.32 3.2 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.611 1.195 . . . . 62.340000000000003 110.904 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . 0.435 ' NH2' ' OE2' ' A' ' 429' ' ' GLU . 12.1 mmt180 -96.63 29.14 3.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.561 0.801 . . . . 73.010000000000005 110.287 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -92.61 21.49 38.41 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.436 1.085 . . . . 73.200000000000003 111.049 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -75.99 -71.6 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.379 0.693 . . . . 71.209999999999994 110.319 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.891 HD21 ' CE1' ' A' ' 427' ' ' PHE . 2.1 pp -134.25 158.12 44.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.553 1.158 . . . . 74.400000000000006 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 13.4 t -53.15 -82.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.539 1.149 . . . . 75.230000000000004 109.98 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 439' ' ' LEU . 5.7 t -154.06 165.57 35.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.073 . . . . 75.519999999999996 108.383 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.783 ' C ' HD22 ' A' ' 442' ' ' LEU . 0.0 OUTLIER -52.34 -27.68 16.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.321 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.686 ' N ' HD13 ' A' ' 442' ' ' LEU . 7.3 mt-30 -45.73 -25.33 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.157 . . . . 74.120000000000005 110.285 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -62.24 -44.78 95.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 60.229999999999997 109.344 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.552 ' HB3' ' CD1' ' A' ' 452' ' ' ILE . . . -66.28 -28.64 68.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.537 1.148 . . . . 61.399999999999999 109.297 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.527 HD12 HD21 ' A' ' 442' ' ' LEU . 19.2 mt -78.57 -7.17 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 74.420000000000002 109.245 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -104.21 -42.96 5.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.378 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -96.6 -54.87 3.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 61.399999999999999 109.62 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.425 ' HB3' ' N ' ' A' ' 397' ' ' PHE . 0.7 OUTLIER -70.62 148.35 48.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 70.430000000000007 109.968 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . . . . . . . . . . . -67.39 -76.29 0.09 Allowed 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.519 1.137 . . . . 75.349999999999994 109.267 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -119.9 132.33 55.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 75.239999999999995 110.984 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.658 HG23 HG12 ' A' ' 398' ' ' VAL . 33.2 mm -69.24 127.52 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 64.219999999999999 109.341 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.838 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.5 mt -103.49 112.58 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 71.420000000000002 109.239 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.702 HD12 ' HB3' ' A' ' 465' ' ' SER . 1.0 OUTLIER -94.61 103.91 15.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 75.150000000000006 109.374 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 457' ' ' THR . 6.7 tp -69.76 79.53 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 71.099999999999994 109.345 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 462' ' ' CYS . 6.1 mt -58.93 93.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 74.239999999999995 109.351 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.878 HG23 ' O ' ' A' ' 455' ' ' LEU . 27.6 p -127.22 148.0 50.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.595 1.184 . . . . 71.540000000000006 110.432 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 498' ' ' GLN . 78.8 p -57.77 -16.57 11.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 65.25 110.016 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -90.99 -23.28 20.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.368 1.043 . . . . 75.519999999999996 109.321 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.594 ' CE2' ' OG ' ' A' ' 465' ' ' SER . 38.1 t80 -110.19 166.33 11.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 53.119999999999997 111.005 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.419 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 41.9 m-20 -104.23 137.76 41.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 74.430000000000007 109.312 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.518 ' HB3' HD22 ' A' ' 456' ' ' LEU . 19.2 p -94.07 -46.3 7.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 64.420000000000002 108.408 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 463' ' ' ARG . 19.7 mtm105 -45.19 -59.84 2.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 63.229999999999997 110.323 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.593 HD11 ' CD ' ' A' ' 468' ' ' GLN . 2.9 tm? -49.79 -64.98 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 55.210000000000001 109.243 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.748 ' O ' HG23 ' A' ' 469' ' ' VAL . 1.0 OUTLIER -36.97 -54.89 0.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 74.439999999999998 109.963 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 466' ' ' LEU . 1.7 tm? -54.98 -50.3 69.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 72.219999999999999 109.258 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.418 ' N ' ' O ' ' A' ' 464' ' ' LEU . 3.4 m-70 -49.44 -57.23 7.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 71.299999999999997 109.649 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.593 ' CD ' HD11 ' A' ' 464' ' ' LEU . 82.1 mt-30 -50.0 -63.87 0.98 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 73.120000000000005 110.292 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.96 HG11 HG22 ' A' ' 486' ' ' VAL . 20.0 t -43.74 -68.84 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 73.049999999999997 109.319 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 471' ' ' GLN . 1.8 m-80 -40.39 -68.92 0.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.504 1.128 . . . . 72.209999999999994 109.387 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 475' ' ' SER . 3.0 mm100 -37.48 -45.58 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.231 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.573 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -59.79 -55.62 31.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 53.240000000000002 109.197 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.805 ' HE1' HG23 ' A' ' 486' ' ' VAL . 2.6 mtt -51.74 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.532 1.145 . . . . 53.350000000000001 111.089 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.731 ' HA ' HD11 ' A' ' 477' ' ' LEU . 1.0 OUTLIER -47.77 -22.92 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.543 1.152 . . . . 65.150000000000006 111.006 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 14.5 t -82.17 -34.59 29.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 74.319999999999993 110.042 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 473' ' ' MET . 52.7 t30 -129.55 89.81 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 74.030000000000001 109.312 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.731 HD11 ' HA ' ' A' ' 474' ' ' MET . 9.9 mt -112.36 -20.55 11.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.473 1.108 . . . . 74.109999999999999 109.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.445 HG23 ' CD ' ' A' ' 479' ' ' ARG . 8.9 t -74.36 -1.75 22.27 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.5 1.125 . . . . 63.149999999999999 110.316 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.445 ' CD ' HG23 ' A' ' 478' ' ' THR . 0.3 OUTLIER -103.79 -74.56 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.594 1.184 . . . . 72.519999999999996 110.308 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . . . . . . . . . 6.4 pm0 -116.15 -31.04 5.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 64.109999999999999 110.187 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 41.58 44.96 4.36 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.054 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 3.7 m -110.32 99.29 39.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.564 0.802 . . . . 72.340000000000003 110.038 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.459 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -74.98 0.46 8.87 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.411 1.743 . . . . 71.209999999999994 110.956 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -94.89 20.64 8.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 64.439999999999998 109.285 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 74.7 m -93.6 21.32 6.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 61.210000000000001 108.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 11.1 t -112.73 126.61 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.1 mm -137.3 90.38 15.35 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.434 1.083 . . . . 75.450000000000003 109.357 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.475 ' HB2' ' CD1' ' A' ' 456' ' ' LEU . 18.2 Cg_endo -74.99 103.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 75.400000000000006 110.958 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.502 ' HB3' HD12 ' A' ' 455' ' ' LEU . 6.8 t80 -77.86 164.99 24.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 73.040000000000006 110.999 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -141.93 98.79 6.21 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 74.239999999999995 109.299 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.555 ' CG ' HG22 ' A' ' 457' ' ' THR . 18.6 Cg_endo -74.98 149.08 36.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.531 1.806 . . . . 63.130000000000003 111.0 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.708 HD23 ' N ' ' A' ' 492' ' ' LEU . 1.7 mt -61.79 -21.31 64.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.399 1.062 . . . . 64.409999999999997 109.32 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -72.53 -18.58 61.63 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.497 1.123 . . . . 64.310000000000002 110.313 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.405 ' OG ' ' HB ' ' A' ' 457' ' ' THR . 16.0 m -130.37 177.98 6.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 53.229999999999997 110.022 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.36 162.42 32.4 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 70.129999999999995 109.979 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.409 ' HB3' ' NH1' ' A' ' 512' ' ' ARG . 18.5 Cg_endo -74.89 -31.9 6.0 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.5 1.79 . . . . 70.120000000000005 111.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -60.34 -31.89 70.74 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.514 1.134 . . . . 73.230000000000004 109.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.458 ' CB ' ' HB3' ' A' ' 458' ' ' SER . 3.0 mt-30 -67.58 -11.64 58.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.425 1.078 . . . . 72.540000000000006 110.311 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.658 HD12 HG21 ' A' ' 503' ' ' THR . 1.6 mt -98.82 167.73 10.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.275 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.7 m -64.55 156.48 29.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 42.039999999999999 109.96 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 37.4 t -65.96 -10.53 40.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 73.129999999999995 110.027 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -80.96 -30.02 35.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 40.299999999999997 109.24 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.717 HG22 HD21 ' A' ' 507' ' ' LEU . 29.8 m -48.15 -49.82 31.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.58 1.175 . . . . 74.319999999999993 110.443 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -45.45 -32.46 2.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.405 1.065 . . . . 64.140000000000001 109.334 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . . . . . . . . . 10.8 t -90.04 -29.98 18.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 70.239999999999995 110.047 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 503' ' ' THR . 92.7 mt -57.03 -38.32 72.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 65.129999999999995 109.366 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.717 HD21 HG22 ' A' ' 503' ' ' THR . 0.2 OUTLIER -100.3 16.94 22.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 73.209999999999994 109.288 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 12.4 t -51.89 105.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.596 1.185 . . . . 61.399999999999999 110.025 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 89.88 -31.57 5.23 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.438 1.086 . . . . 73.340000000000003 111.049 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 507' ' ' LEU . 9.8 mt -47.42 172.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 0.748 . . . . 70.150000000000006 109.369 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.554 ' O ' HG23 ' A' ' 487' ' ' ILE . 75.6 t -108.7 99.2 8.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.105 . . . . 64.510000000000005 109.216 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.481 ' HD3' HD13 ' A' ' 507' ' ' LEU . 12.0 ttp180 -94.71 133.95 37.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.609 1.193 . . . . 63.140000000000001 110.295 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.64 HD22 HG22 ' A' ' 487' ' ' ILE . 0.5 OUTLIER -105.29 161.24 14.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 109.179 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.568 ' HB3' ' CD2' ' A' ' 516' ' ' HIS . 1.6 m-20 -145.38 133.75 21.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 71.450000000000003 109.282 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 492' ' ' LEU . 5.3 tp10 -79.38 3.43 18.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 70.019999999999996 110.285 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.672 ' ND1' HD22 ' A' ' 492' ' ' LEU . 1.2 p-80 -124.67 38.57 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 62.140000000000001 109.601 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 1.7 t -133.51 126.54 31.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 60.240000000000002 109.947 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -75.76 -0.85 22.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 72.510000000000005 110.312 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.768 HD11 ' CD ' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -109.59 -27.02 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 70.329999999999998 109.32 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 513' ' ' LEU . 1.4 t80 -40.24 -34.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 73.549999999999997 110.948 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 54.100000000000001 109.335 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.743 ' HB2' HD12 ' A' ' 519' ' ' ILE . 1.9 mpt_? -73.71 -21.84 60.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.554 1.159 . . . . 74.019999999999996 110.238 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.768 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.2 mmmt -72.73 -46.1 55.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 73.040000000000006 109.331 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.503 HG11 ' CD1' ' A' ' 419' ' ' LEU . 1.2 p -74.79 -45.79 43.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 52.229999999999997 109.309 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.437 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -65.11 -10.85 33.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.51 1.131 . . . . 72.409999999999997 109.287 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 6.9 m-20 -86.23 -53.0 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.634 1.209 . . . . 72.450000000000003 109.303 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.527 HG23 ' N ' ' A' ' 528' ' ' PHE . 8.4 t -78.98 -55.44 5.13 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 73.109999999999999 110.413 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.745 ' CE2' HD11 ' A' ' 453' ' ' ILE . 31.4 m-85 -82.32 56.93 3.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 71.439999999999998 111.059 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.544 ' O ' HD23 ' A' ' 533' ' ' LEU . 41.6 mttt -72.94 158.51 87.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 75.420000000000002 109.228 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -33.94 4.32 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.505 1.792 . . . . 74.010000000000005 111.061 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.547 ' CD2' ' HD2' ' A' ' 532' ' ' ARG . 8.9 p-80 -69.42 -11.49 60.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.439999999999998 109.641 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.547 ' HD2' ' CD2' ' A' ' 531' ' ' HIS . 19.3 mmm180 -101.74 -38.2 7.98 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.442 1.089 . . . . 75.340000000000003 110.334 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.746 HD12 ' OD1' ' A' ' 396' ' ' ASN . 1.7 mm? -66.35 -55.71 14.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 74.409999999999997 109.218 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -58.26 -39.3 78.84 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 51.240000000000002 110.206 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.448 ' HA ' ' HB2' ' A' ' 538' ' ' ALA . . . -70.53 -8.2 49.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 73.219999999999999 109.288 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.513 ' O ' ' HE1' ' A' ' 539' ' ' MET . 2.4 tpm_? -72.28 -42.05 65.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 74.400000000000006 110.271 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 539' ' ' MET . 22.4 pttt -96.68 -14.16 22.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.413 1.071 . . . . 73.140000000000001 109.372 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.448 ' HB2' ' HA ' ' A' ' 535' ' ' ALA . . . -46.33 -25.86 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 70.25 109.378 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.513 ' HE1' ' O ' ' A' ' 536' ' ' ARG . 3.6 mpp? -69.4 -49.82 51.75 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 70.239999999999995 110.948 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . . . . . . . . . 44.4 m95 -72.72 -23.28 60.83 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.078 -1.082 . . . . 64.019999999999996 108.078 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.449 ' O ' ' N ' ' A' ' 544' ' ' GLN . 33.9 mtp85 -69.04 -37.8 78.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 72.439999999999998 110.393 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 541' ' ' ARG . 0.1 OUTLIER -40.53 -36.01 0.52 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.411 1.069 . . . . 71.349999999999994 109.307 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -65.29 -50.09 67.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 73.510000000000005 110.226 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 541' ' ' ARG . 40.7 mm-40 -68.66 -22.19 64.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.389 1.056 . . . . 74.409999999999997 110.296 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.416 1.073 . . . . 71.450000000000003 109.289 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 5.6 ptp . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.487 0.184 . . . . 71.219999999999999 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -109.7 105.25 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 64.400000000000006 110.222 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 84.3 p -102.67 15.72 28.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 71.230000000000004 110.023 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 20.6 m -128.81 18.17 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 63.329999999999998 110.016 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 7.3 t -52.21 141.03 19.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 54.149999999999999 110.077 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -86.66 178.76 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.076 . . . . 54.100000000000001 110.233 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . 0.423 ' N ' HE21 ' A' ' 392' ' ' GLN . 0.2 OUTLIER -121.65 177.25 5.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 72.450000000000003 110.346 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.545 ' HB3' ' CE1' ' A' ' 395' ' ' TYR . 1.3 tppp? -113.54 156.04 24.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.407 1.067 . . . . 75.109999999999999 109.312 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.506 ' HB2' ' CD2' ' A' ' 540' ' ' TRP . 1.3 t80 -87.43 121.67 30.18 Favored 'General case' 0 C--N 1.327 -0.377 0 O-C-N 124.428 1.08 . . . . 73.239999999999995 111.062 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.545 ' CE1' ' HB3' ' A' ' 393' ' ' LYS . 10.9 m-85 -119.85 161.11 21.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 74.049999999999997 111.022 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.745 ' ND2' HD12 ' A' ' 533' ' ' LEU . 9.9 m-20 -114.72 -11.79 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 65.109999999999999 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.714 ' HE2' HD11 ' A' ' 399' ' ' ILE . 27.9 p90 -179.84 113.27 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 71.409999999999997 111.051 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 427' ' ' PHE . 2.6 t -81.09 109.33 15.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.418 1.074 . . . . 64.140000000000001 109.332 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.714 HD11 ' HE2' ' A' ' 397' ' ' PHE . 87.7 mt -77.95 95.92 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 70.25 109.358 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.798 HD13 ' CD2' ' A' ' 427' ' ' PHE . 15.7 tp -78.24 112.21 14.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 62.219999999999999 109.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.537 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 20.1 p80 -138.08 -162.51 1.31 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.456 1.097 . . . . 74.129999999999995 109.707 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -93.55 -159.13 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 74.519999999999996 109.205 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.507 ' NH2' ' CZ ' ' A' ' 431' ' ' PHE . 0.1 OUTLIER -99.14 -23.36 15.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.564 1.165 . . . . 61.439999999999998 110.385 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -102.59 17.07 24.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 73.129999999999995 109.285 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.478 ' OD2' HG21 ' A' ' 457' ' ' THR . 0.7 OUTLIER -123.27 28.32 7.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 72.439999999999998 109.28 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.537 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 34.2 tt0 -66.12 -76.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 72.420000000000002 110.334 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.488 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.1 p-80 -38.22 -37.73 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.109999999999999 109.611 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.488 HG13 ' CE1' ' A' ' 407' ' ' HIS . 28.4 mt -56.25 -54.82 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 109.334 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -64.42 -44.52 90.94 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.526 1.141 . . . . 64.349999999999994 109.286 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.485 HD22 ' CZ ' ' A' ' 413' ' ' ARG . 11.5 mt -60.91 -25.14 66.53 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 1.131 . . . . 61.32 109.279 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -79.2 -12.75 59.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 74.420000000000002 110.372 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 413' ' ' ARG . 2.9 t -96.32 -52.89 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 72.010000000000005 109.342 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.485 ' CZ ' HD22 ' A' ' 410' ' ' LEU . 10.3 mtm180 -36.71 -42.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.335 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.421 ' O ' ' C ' ' A' ' 415' ' ' LYS . 29.6 mt-10 -73.03 -60.67 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 55.310000000000002 110.301 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.78 -48.76 1.55 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.423 1.077 . . . . 65.439999999999998 109.245 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.913 ' HB3' HG13 ' A' ' 421' ' ' VAL . 98.5 mt -47.94 -57.2 6.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 64.430000000000007 109.359 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 422' ' ' PRO . 5.8 mt-10 -38.53 -30.08 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.450000000000003 110.262 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -64.04 -54.1 39.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.378 1.048 . . . . 64.140000000000001 109.241 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.972 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.77 -45.26 75.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 75.450000000000003 109.317 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 167.36 -67.77 0.18 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.538 1.149 . . . . 54.049999999999997 111.063 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.913 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.09 138.15 0.87 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 54.350000000000001 109.255 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.466 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.3 Cg_endo -75.04 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.526 1.803 . . . . 63.350000000000001 110.944 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.585 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 0.6 OUTLIER -64.35 -42.03 96.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 74.510000000000005 109.267 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.688 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 78.17 -95.38 1.29 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.522 1.139 . . . . 45.130000000000003 111.002 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.688 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 162.77 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 0.803 . . . . 73.150000000000006 109.317 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.485 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.6 p -151.98 139.87 20.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.591 1.182 . . . . 64.099999999999994 110.463 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.798 ' CD2' HD13 ' A' ' 400' ' ' LEU . 24.1 t80 -119.34 151.42 38.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.115 . . . . 74.310000000000002 110.989 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . . . . . . . . . 3.8 m -114.65 153.32 30.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.458 1.099 . . . . 74.019999999999996 108.278 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 464' ' ' LEU . 3.9 pt-20 -79.96 -173.35 3.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 74.140000000000001 110.283 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -71.58 101.35 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 60.240000000000002 109.318 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . 0.507 ' CZ ' ' NH2' ' A' ' 403' ' ' ARG . 52.0 t80 -70.49 68.7 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.399 1.062 . . . . 73.430000000000007 110.972 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 64.45 14.31 8.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 71.530000000000001 110.314 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 18.2 m -89.79 165.48 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 75.239999999999995 109.385 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -48.31 -37.84 17.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 73.530000000000001 109.656 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 69.58 65.01 2.72 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.562 1.164 . . . . 24.25 110.924 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 22.4 mmt85 -129.73 42.16 3.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.441 0.73 . . . . 74.239999999999995 110.289 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 67.5 64.71 3.07 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 111.024 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -66.41 -50.65 62.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 0.773 . . . . 61.030000000000001 110.332 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 439' ' ' LEU . 0.2 OUTLIER -104.71 -169.87 1.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 74.129999999999995 109.283 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 65.6 m -112.92 -16.03 12.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.986 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.482 ' N ' HD13 ' A' ' 439' ' ' LEU . 42.7 t -42.21 -48.58 4.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.608 1.192 . . . . 73.239999999999995 108.236 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.492 HD23 ' CE2' ' A' ' 427' ' ' PHE . 1.6 tm? -40.45 -74.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 74.239999999999995 109.311 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 447' ' ' ASP . 29.8 mm-40 -61.92 -17.74 57.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 73.010000000000005 110.289 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.42 ' CB ' ' HA ' ' A' ' 441' ' ' CYS . 8.2 t0 -71.62 -5.61 34.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 72.319999999999993 109.296 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 1.053 ' HB1' HD12 ' A' ' 452' ' ' ILE . . . -92.82 -36.34 12.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 63.420000000000002 109.271 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.505 HD11 ' HG3' ' A' ' 473' ' ' MET . 0.1 OUTLIER -101.56 2.38 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 74.030000000000001 109.304 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 443' ' ' GLN . 80.9 m-20 -102.02 -48.97 4.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 51.130000000000003 109.29 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 61.3 m-70 -138.53 67.82 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 64.439999999999998 109.557 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.2 OUTLIER -162.07 114.95 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 63.340000000000003 110.045 179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 451' ' ' PHE . . . -39.26 -78.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 109.341 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.476 ' CZ ' ' O ' ' A' ' 527' ' ' THR . 14.3 m-85 -127.47 142.87 51.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 64.349999999999994 110.99 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 1.053 HD12 ' HB1' ' A' ' 445' ' ' ALA . 12.5 mm -79.46 131.87 33.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 72.519999999999996 109.369 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 528' ' ' PHE . 7.6 mt -109.14 113.72 44.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 109.333 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.629 ' CD2' HG13 ' A' ' 486' ' ' VAL . 1.2 mm? -97.81 106.39 18.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 74.209999999999994 109.302 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.483 HD21 HG22 ' A' ' 408' ' ' ILE . 11.5 tp -67.07 94.6 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 60.439999999999998 109.371 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.5 HD11 ' CB ' ' A' ' 488' ' ' PRO . 4.8 mt -76.24 96.27 3.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 71.239999999999995 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.534 HG22 ' CD ' ' A' ' 491' ' ' PRO . 1.6 p -136.96 156.31 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.441 1.088 . . . . 75.319999999999993 110.38 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.49 -10.75 37.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 72.010000000000005 110.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.641 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 8.3 m120 -95.46 -4.64 44.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 65.150000000000006 109.288 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.52 ' CZ ' ' HG ' ' A' ' 400' ' ' LEU . 48.0 t80 -125.64 170.59 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 75.120000000000005 110.993 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.478 ' N ' ' CG ' ' A' ' 460' ' ' PHE . 0.6 OUTLIER -120.39 117.56 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 74.230000000000004 109.283 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 463' ' ' ARG . 4.8 m -68.25 -48.52 64.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 73.450000000000003 108.225 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . 0.598 ' O ' ' CE1' ' A' ' 467' ' ' HIS . 12.9 mtt-85 -38.35 -58.08 1.04 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.459 1.099 . . . . 64.400000000000006 110.354 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.535 ' HA ' ' CD2' ' A' ' 467' ' ' HIS . 1.7 tm? -58.5 -54.7 44.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 64.530000000000001 109.218 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 400' ' ' LEU . 0.6 OUTLIER -38.71 -30.29 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.125 . . . . 71.230000000000004 110.061 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.492 HD13 ' ND2' ' A' ' 470' ' ' ASN . 2.9 tm? -85.06 -50.49 7.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 61.43 109.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.598 ' CE1' ' O ' ' A' ' 463' ' ' ARG . 1.7 m-70 -51.79 -28.79 16.57 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.5 1.125 . . . . 71.439999999999998 109.674 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.438 ' OE1' HD21 ' A' ' 400' ' ' LEU . 32.5 mt-30 -78.93 -77.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 53.130000000000003 110.249 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 466' ' ' LEU . 9.1 p -40.09 -30.94 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 71.530000000000001 109.377 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.492 ' ND2' HD13 ' A' ' 466' ' ' LEU . 0.7 OUTLIER -57.87 -74.83 0.05 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 64.040000000000006 109.223 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.547 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 4.4 mm100 -41.01 -47.17 3.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.57 1.169 . . . . 73.140000000000001 110.367 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -52.94 -53.91 42.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 71.430000000000007 109.264 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.557 ' CE ' ' HA ' ' A' ' 483' ' ' PRO . 54.0 mtt -52.45 -70.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.400000000000006 111.0 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.81 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.17 -17.5 4.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 111.054 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 12.2 t -83.04 -28.28 29.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 110.016 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.443 ' ND2' ' OE1' ' A' ' 480' ' ' GLN . 53.2 t30 -139.08 88.56 2.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 1.083 . . . . 53.030000000000001 109.286 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.81 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.1 mt -111.55 -20.45 12.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 42.119999999999997 109.336 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 3.6 t -74.92 -1.4 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 73.319999999999993 110.353 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.418 ' HB2' ' ND2' ' A' ' 476' ' ' ASN . 15.6 mmm-85 -103.28 -73.5 0.66 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 110.332 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 446' ' ' ILE . 0.4 OUTLIER -115.39 -33.58 5.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 75.200000000000003 110.253 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.413 ' N ' ' HG2' ' A' ' 480' ' ' GLN . . . 38.08 44.8 1.59 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.909 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 66.8 m -109.93 99.77 40.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 74.530000000000001 110.079 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.557 ' HA ' ' CE ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.08 0.49 8.87 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.598 1.841 . . . . 74.310000000000002 110.953 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -100.85 13.23 35.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 74.340000000000003 109.256 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 7.9 m -93.08 42.12 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 52.450000000000003 108.34 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 1.003 ' O ' HD13 ' A' ' 487' ' ' ILE . 58.4 t -121.72 131.95 71.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 73.299999999999997 109.296 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 1.003 HD13 ' O ' ' A' ' 486' ' ' VAL . 2.4 mm -136.01 98.06 11.94 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.53 1.144 . . . . 75.049999999999997 109.294 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.5 ' CB ' HD11 ' A' ' 456' ' ' LEU . 18.2 Cg_endo -75.0 98.7 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.454 1.765 . . . . 74.540000000000006 111.005 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.455 ' HB2' HG23 ' A' ' 453' ' ' ILE . 6.5 t80 -77.74 169.22 18.67 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.528 1.142 . . . . 75.310000000000002 111.006 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.659 HD21 ' HD3' ' A' ' 496' ' ' PRO . 2.8 tp -151.81 101.89 2.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 42.229999999999997 109.273 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.534 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.3 Cg_endo -75.07 149.53 36.54 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 55.140000000000001 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.497 ' CD1' ' HB3' ' A' ' 515' ' ' GLU . 6.2 mp -56.71 -32.93 65.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 73.239999999999995 109.294 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.419 ' HB2' HD13 ' A' ' 408' ' ' ILE . 1.5 mm-40 -54.26 -33.35 58.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 74.519999999999996 110.295 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.436 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 0.5 OUTLIER -116.26 -177.43 3.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 71.340000000000003 110.037 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.466 ' HA ' HD11 ' A' ' 490' ' ' LEU . 0.5 OUTLIER -147.51 165.36 19.01 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 61.219999999999999 110.032 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.659 ' HD3' HD21 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -74.9 -31.18 6.59 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.578 1.831 . . . . 75.099999999999994 110.968 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -65.93 -29.18 69.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.564 1.165 . . . . 71.140000000000001 109.249 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . 0.41 ' HG3' ' CB ' ' A' ' 495' ' ' SER . 3.4 mt-30 -71.51 -5.18 31.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 65.25 110.273 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.91 163.75 12.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 70.349999999999994 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 7.1 p -71.08 154.97 41.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 64.209999999999994 110.001 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 8.3 t -65.76 -11.2 43.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 71.200000000000003 109.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 505' ' ' SER . 0.9 OUTLIER -84.72 -37.03 21.41 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.115 . . . . 72.120000000000005 109.303 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.75 ' HA ' HD12 ' A' ' 506' ' ' LEU . 2.2 m -42.4 -27.52 0.16 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.414 1.071 . . . . 72.209999999999994 110.433 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . 0.414 ' N ' ' C ' ' A' ' 502' ' ' ASP . . . -71.56 -49.07 44.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.434 1.084 . . . . 72.299999999999997 109.234 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 502' ' ' ASP . 3.8 m -74.23 -17.72 60.85 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.137 . . . . 64.150000000000006 109.943 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 503' ' ' THR . 62.0 mt -74.7 -33.05 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.618 1.199 . . . . 70.540000000000006 109.22 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.605 ' O ' HD12 ' A' ' 507' ' ' LEU . 3.5 pp -111.55 16.31 20.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.552 1.158 . . . . 63.119999999999997 109.284 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 1.1 t -50.58 100.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 62.409999999999997 109.897 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 120.68 -38.29 2.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.45 1.094 . . . . 71.329999999999998 111.04 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.582 HD12 ' HB2' ' A' ' 507' ' ' LEU . 28.7 mt -51.43 179.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 71.430000000000007 109.334 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 38.5 t -112.75 92.38 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 71.150000000000006 109.283 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . . . . . . . . . 6.9 tpp85 -52.95 107.05 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 72.329999999999998 110.24 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.769 HD22 ' CG2' ' A' ' 487' ' ' ILE . 5.7 tp -96.49 132.78 41.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 65.5 109.311 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.554 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER -126.57 167.67 15.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.310000000000002 109.312 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 492' ' ' LEU . 7.4 tp10 -113.75 -10.8 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 72.120000000000005 110.395 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 516' ' ' HIS . 0.1 OUTLIER -99.44 -12.81 19.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.548 1.155 . . . . 72.510000000000005 109.55 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.35 133.0 38.85 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 110.02 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . 0.437 ' O ' ' NH1' ' A' ' 522' ' ' ARG . 4.4 pt20 -78.74 2.46 19.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 44.439999999999998 110.332 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.746 ' O ' HD12 ' A' ' 519' ' ' ILE . 0.1 OUTLIER -108.08 -24.05 4.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 74.010000000000005 109.286 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.554 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 3.4 t80 -40.78 -34.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 72.019999999999996 111.036 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 524' ' ' VAL . . . -54.9 -47.09 74.77 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.53 1.144 . . . . 75.109999999999999 109.275 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.693 ' HB2' HD12 ' A' ' 519' ' ' ILE . 8.8 mpt_? -75.18 -19.31 59.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 74.530000000000001 110.264 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.736 ' CD ' HD11 ' A' ' 519' ' ' ILE . 28.7 mmmt -74.56 -44.22 51.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.420000000000002 109.321 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.972 HG11 HD13 ' A' ' 419' ' ' LEU . 1.1 p -73.29 -40.68 57.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 109.328 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 529' ' ' LYS . . . -73.73 -3.95 31.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 71.409999999999997 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 10.0 m-20 -95.22 -38.75 10.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 73.200000000000003 109.268 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.514 HG23 ' N ' ' A' ' 528' ' ' PHE . 10.0 t -95.97 -54.21 3.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 55.32 110.4 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.661 ' CE2' HD11 ' A' ' 453' ' ' ILE . 54.4 m-85 -85.92 50.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 63.020000000000003 111.013 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.466 ' HD3' ' CE1' ' A' ' 531' ' ' HIS . 30.7 mttt -61.37 160.05 26.92 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 62.439999999999998 109.23 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -32.71 5.09 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.587 1.835 . . . . 64.129999999999995 110.945 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.536 ' CD2' ' HG2' ' A' ' 532' ' ' ARG . 1.3 p-80 -70.33 -8.65 52.13 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.463 1.102 . . . . 71.439999999999998 109.579 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.536 ' HG2' ' CD2' ' A' ' 531' ' ' HIS . 29.4 mmm180 -101.47 -54.42 2.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 51.439999999999998 110.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.745 HD12 ' ND2' ' A' ' 396' ' ' ASN . 1.6 mm? -46.24 -61.2 1.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 109.345 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.45 ' O ' ' HB2' ' A' ' 538' ' ' ALA . 3.2 pt20 -50.82 -40.33 55.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 74.200000000000003 110.316 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -71.52 -23.37 61.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 72.319999999999993 109.362 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 532' ' ' ARG . 0.0 OUTLIER -82.81 -32.44 27.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.526 1.141 . . . . 73.420000000000002 110.265 -179.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 541' ' ' ARG . 4.8 pttp -97.83 -5.84 33.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 74.200000000000003 109.296 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.469 ' HA ' ' CD ' ' A' ' 541' ' ' ARG . . . -56.05 -18.78 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 74.329999999999998 109.258 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . . . . . . . . . 20.0 mtm -98.43 -17.27 18.88 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.515 1.134 . . . . 73.420000000000002 110.958 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.506 ' CD2' ' HB2' ' A' ' 394' ' ' PHE . 12.3 t-105 -101.17 -9.77 21.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 72.299999999999997 108.069 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.469 ' CD ' ' HA ' ' A' ' 538' ' ' ALA . 10.7 ptm180 -85.65 -21.64 28.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 74.019999999999996 110.296 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -53.25 -21.04 4.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 74.150000000000006 109.325 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -98.08 -22.52 16.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 64.439999999999998 110.312 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.426 ' CG ' ' HA ' ' A' ' 541' ' ' ARG . 35.8 mm-40 -76.34 -45.46 32.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 73.310000000000002 110.299 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 16.5 t0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.439 1.087 . . . . 54.439999999999998 109.315 179.949 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.561 0.219 . . . . 65.519999999999996 110.991 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . . . . . . . . . 22.5 mp0 -91.5 151.3 20.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 74.519999999999996 110.329 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 25.0 m -95.2 86.08 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.048 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . . . . . . . . . 3.2 m 46.37 53.86 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 70.310000000000002 110.024 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -114.79 47.97 1.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 75.540000000000006 109.995 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -79.31 177.41 8.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 110.316 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -110.01 147.86 32.74 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 61.439999999999998 110.36 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -49.12 153.97 0.86 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.578 1.174 . . . . 73.209999999999994 109.3 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.555 ' CE1' ' CZ3' ' A' ' 540' ' ' TRP . 7.1 p90 -106.88 131.94 53.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 73.150000000000006 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' A' ' 395' ' ' TYR . 1.1 m-30 -102.38 171.82 7.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 71.420000000000002 110.958 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.591 ' O ' ' HB3' ' A' ' 450' ' ' ALA . 8.4 m-80 -112.61 -11.35 13.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 72.010000000000005 109.251 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.913 ' CD2' HD12 ' A' ' 453' ' ' ILE . 27.4 p90 -178.71 112.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 71.25 110.976 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 1.0 HG12 HG23 ' A' ' 452' ' ' ILE . 0.3 OUTLIER -78.23 115.17 19.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 75.299999999999997 109.314 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.791 HD11 ' HE2' ' A' ' 397' ' ' PHE . 56.8 mt -87.09 121.22 37.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 55.329999999999998 109.263 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.815 HD13 ' O ' ' A' ' 427' ' ' PHE . 2.9 mm? -93.48 91.07 6.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 73.040000000000006 109.264 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.721 ' CB ' HD23 ' A' ' 455' ' ' LEU . 3.1 p80 -116.24 176.86 4.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.646 1.216 . . . . 73.200000000000003 109.593 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.6 ' O ' ' CE1' ' A' ' 401' ' ' HIS . . . -85.85 -158.69 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 74.310000000000002 109.385 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -98.6 -20.24 17.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.429 1.081 . . . . 71.120000000000005 110.304 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -107.55 16.55 23.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 52.350000000000001 109.284 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.476 ' CG ' HD12 ' A' ' 408' ' ' ILE . 0.9 OUTLIER -121.27 26.06 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 63.329999999999998 109.27 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.547 ' CG ' HD13 ' A' ' 410' ' ' LEU . 29.0 tt0 -61.06 -74.44 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 71.329999999999998 110.242 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 411' ' ' ARG . 22.1 p-80 -42.2 -34.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 74.329999999999998 109.557 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.476 HD12 ' CG ' ' A' ' 405' ' ' ASP . 55.8 mt -60.53 -48.91 86.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.606 1.191 . . . . 74.239999999999995 109.296 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -72.06 -58.14 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 73.120000000000005 109.258 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.547 HD13 ' CG ' ' A' ' 406' ' ' GLU . 8.7 mp -49.92 -23.13 1.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 74.25 109.236 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.439 ' CB ' ' O ' ' A' ' 407' ' ' HIS . 1.3 tmm_? -76.26 -35.08 59.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 74.540000000000006 110.304 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.497 HG21 ' CE1' ' A' ' 489' ' ' PHE . 2.8 t -75.3 -54.76 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.586 1.179 . . . . 73.5 109.283 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.468 ' HD3' ' CG2' ' A' ' 426' ' ' THR . 8.0 mtm180 -33.09 -45.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 73.510000000000005 110.394 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -70.89 -61.87 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 74.310000000000002 110.274 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.649 ' HZ3' ' HB3' ' A' ' 415' ' ' LYS . 0.0 OUTLIER -38.78 -53.95 1.64 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 75.129999999999995 109.32 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.89 ' HB3' HG13 ' A' ' 421' ' ' VAL . 87.8 mt -40.26 -57.14 1.8 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.58 1.175 . . . . 72.129999999999995 109.267 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 416' ' ' LEU . 9.9 mt-10 -36.15 -43.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.606 1.191 . . . . 74.209999999999994 110.378 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -51.8 -53.46 39.76 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 109.382 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 1.065 HD13 HG11 ' A' ' 524' ' ' VAL . 1.1 mt -67.47 -45.98 74.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.424 1.078 . . . . 61.039999999999999 109.314 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 165.84 -68.77 0.19 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 53.509999999999998 111.004 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.89 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.08 137.93 0.89 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.561 0.801 . . . . 44.119999999999997 109.269 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.462 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.03 -161.85 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.529 1.805 . . . . 73.310000000000002 111.04 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.549 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 4.9 p-10 -65.48 -40.45 93.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.274 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.646 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 74.34 -96.28 0.9 Allowed Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.526 1.141 . . . . 65.409999999999997 110.974 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.646 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 166.44 -178.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.766 . . . . 72.140000000000001 109.31 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.679 HG22 HD12 ' A' ' 399' ' ' ILE . 5.4 p -152.29 108.24 3.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.411 1.069 . . . . 62.229999999999997 110.356 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.979 ' CD2' HD23 ' A' ' 442' ' ' LEU . 1.2 t80 -87.3 105.95 17.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 70.109999999999999 110.981 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.578 ' O ' ' CE1' ' A' ' 427' ' ' PHE . 3.9 m -71.7 166.85 21.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 63.539999999999999 108.282 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . 0.681 ' OE1' HD12 ' A' ' 464' ' ' LEU . 11.7 pt-20 -127.41 -175.65 3.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 73.340000000000003 110.241 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.72 ' O ' HG22 ' A' ' 433' ' ' VAL . 50.0 m-20 -149.96 113.89 5.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 62.329999999999998 109.242 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -70.94 -14.58 62.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 74.25 110.89 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -68.9 -26.63 65.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.587 1.179 . . . . 64.109999999999999 110.311 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.912 HG21 ' HG2' ' A' ' 438' ' ' GLU . 12.5 m -95.54 172.96 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 75.239999999999995 109.39 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . 0.543 ' CE1' ' HB2' ' A' ' 436' ' ' ARG . 5.8 p80 -60.06 -54.81 41.55 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.548 1.155 . . . . 73.239999999999995 109.57 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 114.71 53.6 0.41 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.501 1.126 . . . . 64.120000000000005 111.055 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . 0.543 ' HB2' ' CE1' ' A' ' 434' ' ' HIS . 37.9 mmm-85 -132.02 11.73 4.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.435 0.726 . . . . 71.510000000000005 110.337 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . 126.52 104.97 1.39 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.593 1.183 . . . . 63.210000000000001 111.036 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . 0.912 ' HG2' HG21 ' A' ' 433' ' ' VAL . 16.7 mt-10 -90.94 -49.73 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 0.811 . . . . 74.109999999999999 110.274 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 427' ' ' PHE . 0.1 OUTLIER -85.48 8.57 18.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 61.109999999999999 109.28 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 19.5 m 40.68 58.17 2.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 73.150000000000006 109.976 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.471 ' N ' HD13 ' A' ' 439' ' ' LEU . 0.5 OUTLIER -177.93 38.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 62.130000000000003 108.292 179.893 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.979 HD23 ' CD2' ' A' ' 427' ' ' PHE . 1.1 tm? -84.79 -43.77 13.9 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 72.239999999999995 109.304 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.657 ' HG2' ' HB2' ' A' ' 472' ' ' ALA . 13.6 mt-30 -74.48 -8.69 57.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 74.310000000000002 110.294 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.503 ' O ' ' CB ' ' A' ' 448' ' ' HIS . 0.2 OUTLIER -84.01 -15.93 45.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.45 1.094 . . . . 64.219999999999999 109.328 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.654 ' HB1' ' HB ' ' A' ' 398' ' ' VAL . . . -83.0 -14.96 52.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 72.340000000000003 109.3 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.678 ' HA ' HD11 ' A' ' 452' ' ' ILE . 1.3 tt -82.11 -28.52 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 74.239999999999995 109.262 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -104.24 -27.54 11.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 109.307 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . 0.503 ' CB ' ' O ' ' A' ' 444' ' ' ASP . 5.3 t-160 -95.94 26.37 4.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 109.614 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 445' ' ' ALA . 0.3 OUTLIER -161.25 162.47 31.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 65.439999999999998 110.022 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 396' ' ' ASN . . . -68.4 -72.93 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.595 1.184 . . . . 52.200000000000003 109.285 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.423 ' CD1' ' HB1' ' A' ' 450' ' ' ALA . 11.9 m-85 -133.89 139.57 46.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 110.892 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 1.0 HG23 HG12 ' A' ' 398' ' ' VAL . 17.9 mm -78.7 130.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 74.120000000000005 109.268 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.913 HD12 ' CD2' ' A' ' 397' ' ' PHE . 77.0 mt -109.19 121.98 63.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 70.299999999999997 109.279 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.869 HD22 ' HB2' ' A' ' 465' ' ' SER . 17.4 mt -97.48 98.7 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 65.409999999999997 109.309 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.721 HD23 ' CB ' ' A' ' 401' ' ' HIS . 8.5 tp -69.83 79.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 72.439999999999998 109.277 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.572 HD13 ' SG ' ' A' ' 462' ' ' CYS . 4.9 mt -68.94 106.86 2.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 74.219999999999999 109.209 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.512 HG22 ' CD ' ' A' ' 491' ' ' PRO . 70.6 p -137.9 154.19 49.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 60.030000000000001 110.38 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 39.9 p -59.21 -15.69 16.59 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.959 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -93.27 -20.08 20.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 109.233 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 51.6 t80 -114.45 171.59 7.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.592 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 3.6 m-20 -116.9 143.21 45.97 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 74.420000000000002 109.271 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.572 ' SG ' HD13 ' A' ' 456' ' ' LEU . 3.4 m -93.59 -54.37 3.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 63.109999999999999 108.304 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -38.88 -29.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.39 1.056 . . . . 73.25 110.26 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.681 HD12 ' OE1' ' A' ' 429' ' ' GLU . 2.0 tm? -75.34 -75.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.494 1.121 . . . . 64.319999999999993 109.282 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.869 ' HB2' HD22 ' A' ' 454' ' ' LEU . 0.3 OUTLIER -39.11 -52.68 1.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 110.032 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.596 HD13 ' ND2' ' A' ' 470' ' ' ASN . 1.5 tm? -54.9 -45.88 74.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 72.519999999999996 109.248 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.544 ' CE1' ' OE1' ' A' ' 471' ' ' GLN . 7.0 t60 -57.63 -55.38 35.54 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.477 1.111 . . . . 61.229999999999997 109.55 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 469' ' ' VAL . 3.8 mt-30 -57.99 -69.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 74.299999999999997 110.306 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.64 ' O ' ' HB3' ' A' ' 472' ' ' ALA . 0.7 OUTLIER -39.67 -49.55 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.162 . . . . 54.240000000000002 109.344 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.596 ' ND2' HD13 ' A' ' 466' ' ' LEU . 1.0 OUTLIER -48.34 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 72.420000000000002 109.302 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.544 ' OE1' ' CE1' ' A' ' 467' ' ' HIS . 4.2 mt-30 -39.51 -45.62 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 62.020000000000003 110.298 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 443' ' ' GLN . . . -46.49 -57.07 5.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 64.230000000000004 109.328 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.546 ' HE3' HG22 ' A' ' 486' ' ' VAL . 57.1 mtt -45.87 -75.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 71.109999999999999 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.76 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -55.01 -17.71 4.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.576 1.172 . . . . 64.349999999999994 110.98 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 19.2 m -82.63 -28.4 30.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 73.510000000000005 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 472' ' ' ALA . 48.4 t30 -141.18 90.6 2.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 65.200000000000003 109.293 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.76 HD11 ' HA ' ' A' ' 474' ' ' MET . 8.0 mt -112.52 -21.09 11.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 51.32 109.213 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 9.1 t -75.99 0.28 19.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 64.319999999999993 110.383 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.421 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 14.2 mmt-85 -107.03 -72.91 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 110.233 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.444 ' OE1' ' N ' ' A' ' 481' ' ' GLY . 0.2 OUTLIER -116.63 -34.96 4.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.438 1.086 . . . . 44.149999999999999 110.316 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.444 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 39.43 56.92 2.32 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.607 1.192 . . . . 41.409999999999997 111.062 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 21.1 t -111.21 98.15 38.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 0.765 . . . . 72.040000000000006 110.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.468 ' HA ' ' SD ' ' A' ' 473' ' ' MET . 18.2 Cg_endo -75.05 0.54 8.8 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.502 1.791 . . . . 72.200000000000003 110.991 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -113.84 38.34 3.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 63.539999999999999 109.288 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 2.0 m -112.31 22.52 14.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 53.009999999999998 108.254 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.567 ' O ' HD13 ' A' ' 487' ' ' ILE . 2.0 t -107.69 114.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 53.310000000000002 109.266 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.727 ' CG2' HD22 ' A' ' 513' ' ' LEU . 1.4 mm -122.67 98.41 43.21 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 60.219999999999999 109.378 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.42 ' CG ' ' HB2' ' A' ' 507' ' ' LEU . 18.2 Cg_endo -75.02 102.67 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 74.209999999999994 110.932 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.513 ' HD2' HD23 ' A' ' 513' ' ' LEU . 6.8 t80 -86.74 149.94 24.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 74.200000000000003 110.955 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.53 HD21 ' CA ' ' A' ' 495' ' ' SER . 2.8 tm? -139.7 103.74 6.98 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 63.340000000000003 109.17 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.512 ' CD ' HG22 ' A' ' 457' ' ' THR . 18.5 Cg_endo -75.05 171.81 17.59 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.419 1.747 . . . . 73.540000000000006 110.998 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.638 ' N ' HD12 ' A' ' 492' ' ' LEU . 3.0 mp -75.89 -29.44 58.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 65.329999999999998 109.235 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' HB2' HD13 ' A' ' 408' ' ' ILE . 53.2 mm-40 -62.07 -29.69 70.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.607 1.192 . . . . 71.439999999999998 110.316 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 491' ' ' PRO . 4.5 m -123.94 174.33 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.393 1.058 . . . . 72.439999999999998 110.019 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.53 ' CA ' HD21 ' A' ' 490' ' ' LEU . 0.4 OUTLIER -147.2 164.17 24.54 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.564 1.165 . . . . 53.030000000000001 109.935 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -34.76 3.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.515 1.797 . . . . 73.409999999999997 110.999 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -57.45 -36.55 71.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 53.149999999999999 109.355 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -66.54 -20.94 66.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.409999999999997 110.271 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.718 ' CD1' HG21 ' A' ' 503' ' ' THR . 4.7 mt -86.74 169.94 12.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.08 . . . . 73.519999999999996 109.242 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . . . . . . . . . 3.6 m -61.97 152.52 32.01 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 1.113 . . . . 52.140000000000001 109.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . . . . . . . . . 68.1 m -61.06 -14.52 24.32 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 64.120000000000005 109.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 505' ' ' SER . 3.1 m-20 -78.02 -35.1 50.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.626 1.204 . . . . 62.140000000000001 109.341 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.757 ' HA ' HD12 ' A' ' 506' ' ' LEU . 7.5 m -43.23 -55.32 4.04 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 60.020000000000003 110.415 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.97 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.533 1.146 . . . . 71.400000000000006 109.204 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 502' ' ' ASP . 23.1 t -84.23 -26.57 28.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 71.430000000000007 110.001 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.757 HD12 ' HA ' ' A' ' 503' ' ' THR . 94.8 mt -62.62 -41.09 98.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 63.43 109.285 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.757 HD13 ' O ' ' A' ' 503' ' ' THR . 0.0 OUTLIER -117.57 22.76 12.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.608 1.193 . . . . 74.5 109.324 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 505' ' ' SER . 0.3 OUTLIER -59.4 -32.91 70.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 73.030000000000001 109.981 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . -102.08 -27.05 7.14 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.49 1.119 . . . . 72.109999999999999 110.968 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . . . . . . . . . 50.7 mt -69.55 165.65 20.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 0.761 . . . . 64.150000000000006 109.345 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . . . . . . . . . 73.0 t -83.75 87.68 2.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 32.450000000000003 109.296 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.424 ' CZ ' ' OD2' ' A' ' 514' ' ' ASP . 1.2 tmm_? -52.86 94.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 73.420000000000002 110.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.727 HD22 ' CG2' ' A' ' 487' ' ' ILE . 4.9 tp -73.24 131.67 42.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 75.319999999999993 109.302 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.562 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 0.9 OUTLIER -120.33 167.85 11.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 62.420000000000002 109.256 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.42 ' O ' ' CG ' ' A' ' 515' ' ' GLU . 10.1 tp10 -123.72 8.54 8.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 72.040000000000006 110.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.84 10.66 3.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 75.140000000000001 109.581 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 6.9 t -93.06 146.9 23.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 73.25 109.955 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -85.59 -6.09 59.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 74.439999999999998 110.256 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.772 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.71 -26.81 3.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 109.375 179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.562 ' CG ' ' O ' ' A' ' 514' ' ' ASP . 0.9 OUTLIER -40.67 -34.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 54.240000000000002 110.947 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -56.71 -46.72 81.1 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.499 1.124 . . . . 73.230000000000004 109.27 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.762 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.4 mpt_? -73.8 -20.72 60.38 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.504 1.127 . . . . 73.299999999999997 110.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.772 ' HD3' HD11 ' A' ' 519' ' ' ILE . 12.2 mmmt -74.08 -47.2 38.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 1.1 . . . . 74.219999999999999 109.288 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 1.065 HG11 HD13 ' A' ' 419' ' ' LEU . 2.5 p -74.08 -35.11 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.530000000000001 109.285 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.61 43.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 70.129999999999995 109.271 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . 0.455 ' ND2' ' O ' ' A' ' 522' ' ' ARG . 2.1 m-20 -95.63 -47.22 6.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.342 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 528' ' ' PHE . 6.3 t -80.51 -51.42 8.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.486 1.116 . . . . 73.450000000000003 110.412 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 453' ' ' ILE . 49.1 m-85 -93.78 65.06 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.399 1.062 . . . . 74.430000000000007 111.057 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.787 ' O ' HD23 ' A' ' 533' ' ' LEU . 0.1 OUTLIER -71.64 164.96 53.7 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.442 1.089 . . . . 72.310000000000002 109.323 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -32.59 5.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.4 1.737 . . . . 50.020000000000003 111.025 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.595 ' CE1' ' HD3' ' A' ' 529' ' ' LYS . 6.9 p80 -76.98 -23.0 52.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 75.530000000000001 109.524 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 532' ' ' ARG . 6.4 mmt180 -92.99 -13.52 28.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 64.409999999999997 110.278 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.787 HD23 ' O ' ' A' ' 529' ' ' LYS . 2.5 mm? -93.98 -53.06 4.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 72.310000000000002 109.342 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -63.0 -39.26 94.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 73.409999999999997 110.281 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . . . . . . . . . . . -69.04 -20.22 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 62.43 109.269 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.419 ' HD3' ' CE ' ' A' ' 539' ' ' MET . 14.5 tpp180 -76.34 -35.13 58.91 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.509 1.131 . . . . 74.310000000000002 110.347 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 541' ' ' ARG . 7.1 pttm -97.97 -12.46 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 53.130000000000003 109.264 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . . . . . . . . . . . -63.83 -21.54 66.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 42.32 109.221 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.419 ' CE ' ' HD3' ' A' ' 536' ' ' ARG . 0.1 OUTLIER -101.67 -26.53 13.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 71.230000000000004 110.947 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.632 ' CZ2' ' NE2' ' A' ' 544' ' ' GLN . 46.7 t90 -64.47 -38.34 90.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 73.109999999999999 108.0 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.448 ' HA ' ' CG ' ' A' ' 544' ' ' GLN . 6.5 mpt_? -52.63 -33.49 46.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 71.540000000000006 110.352 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . . . . . . . . . 52.2 mttt -44.65 -31.13 1.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.411 1.069 . . . . 74.340000000000003 109.27 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -96.83 -27.1 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 72.010000000000005 110.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.632 ' NE2' ' CZ2' ' A' ' 540' ' ' TRP . 88.1 mm-40 -68.0 -23.33 65.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 72.340000000000003 110.309 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 62.219999999999999 109.309 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 386' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.516 0.198 . . . . 63.420000000000002 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 387' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' A' ' 387' ' ' GLU . 3.2 mm-40 -112.07 178.99 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 73.239999999999995 110.325 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 388' ' ' SER . . . . . . . . . . . . . 1.2 p -120.89 22.41 11.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.568 1.168 . . . . 64.230000000000004 109.947 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 389' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 390' ' ' SER . 7.0 t -136.78 18.36 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.579 1.175 . . . . 63.119999999999997 109.95 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 390' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 389' ' ' SER . 5.2 t -39.45 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 71.5 109.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.06 -177.06 5.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 71.120000000000005 110.288 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -138.82 144.93 39.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 72.209999999999994 110.344 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' LYS . . . . . 0.57 ' O ' ' CE1' ' A' ' 395' ' ' TYR . 1.6 ttmt -128.5 164.43 22.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.153 . . . . 72.230000000000004 109.295 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' PHE . . . . . 0.404 ' C ' ' CD1' ' A' ' 395' ' ' TYR . 47.5 t80 -78.79 143.38 36.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.434 1.084 . . . . 74.420000000000002 110.986 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' TYR . . . . . 0.57 ' CE1' ' O ' ' A' ' 393' ' ' LYS . 3.2 m-85 -130.2 160.16 34.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 110.996 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' ASN . . . . . 0.653 ' OD1' HD13 ' A' ' 533' ' ' LEU . 2.4 t30 -113.27 -13.55 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 74.549999999999997 109.277 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' PHE . . . . . 0.796 ' CD2' HD12 ' A' ' 453' ' ' ILE . 23.7 p90 -164.18 130.38 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 75.510000000000005 110.969 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' VAL . . . . . 0.859 ' CG1' HG23 ' A' ' 452' ' ' ILE . 9.8 p -98.87 115.59 39.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 73.230000000000004 109.288 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' ILE . . . . . 0.685 HD11 ' HE2' ' A' ' 397' ' ' PHE . 92.9 mt -85.61 100.01 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.6 1.187 . . . . 74.549999999999997 109.189 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' LEU . . . . . 0.821 HD11 HD23 ' A' ' 442' ' ' LEU . 0.2 OUTLIER -76.74 122.63 25.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 61.219999999999999 109.275 179.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' HIS . . . . . 0.478 ' CE1' ' HA ' ' A' ' 406' ' ' GLU . 18.1 p80 -149.55 -176.51 5.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.567 1.167 . . . . 74.329999999999998 109.498 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' ALA . . . . . 0.634 ' HB2' ' O ' ' A' ' 459' ' ' ASN . . . -82.79 -159.47 0.33 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.489 1.118 . . . . 74.239999999999995 109.346 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.7 -16.58 18.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 65.019999999999996 110.277 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . . . . . . . . . . . -106.88 16.8 23.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 73.109999999999999 109.275 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.17 26.84 8.73 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 55.219999999999999 109.279 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' GLU . . . . . 0.478 ' HA ' ' CE1' ' A' ' 401' ' ' HIS . 30.1 tt0 -61.87 -77.47 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 73.510000000000005 110.317 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' HIS . . . . . 0.47 ' CE1' HG13 ' A' ' 408' ' ' ILE . 17.6 p-80 -39.72 -40.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 62.530000000000001 109.569 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' ILE . . . . . 0.47 HG13 ' CE1' ' A' ' 407' ' ' HIS . 81.7 mt -55.54 -51.13 61.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 71.030000000000001 109.316 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 406' ' ' GLU . . . -66.52 -50.04 64.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . . . . . . . . . 9.6 mp -62.74 -13.56 34.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 1.167 . . . . 65.129999999999995 109.276 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 407' ' ' HIS . 0.7 OUTLIER -84.96 -15.86 42.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 53.140000000000001 110.247 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 413' ' ' ARG . 4.2 t -96.38 -51.53 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 109.328 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.457 ' HB3' ' CA ' ' A' ' 423' ' ' ASP . 9.8 mtm180 -36.34 -40.57 0.24 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.091 . . . . 72.430000000000007 110.323 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 415' ' ' LYS . 54.6 mt-10 -72.84 -63.39 1.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 72.209999999999994 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' LYS . . . . . 0.706 ' O ' ' HB3' ' A' ' 418' ' ' ALA . 0.0 OUTLIER -38.44 -48.59 1.39 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.575 1.172 . . . . 71.349999999999994 109.226 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' LEU . . . . . 0.903 ' HB3' HG13 ' A' ' 421' ' ' VAL . 88.4 mt -46.9 -60.17 2.61 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.489 1.118 . . . . 73.230000000000004 109.289 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -38.68 -29.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 1.161 . . . . 72.25 110.32 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 415' ' ' LYS . . . -65.18 -53.65 41.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 75.109999999999999 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' LEU . . . . . 0.919 HD13 HG11 ' A' ' 524' ' ' VAL . 0.9 OUTLIER -68.51 -46.18 70.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 74.319999999999993 109.264 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 421' ' ' VAL . . . 170.42 -70.04 0.13 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 111.029 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.903 HG13 ' HB3' ' A' ' 416' ' ' LEU . 0.2 OUTLIER -39.32 137.19 1.02 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.471 0.748 . . . . 73.120000000000005 109.346 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 421' ' ' VAL . 18.2 Cg_endo -75.02 -163.32 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.447 1.761 . . . . 74.450000000000003 110.976 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' ASP . . . . . 0.52 ' O ' ' CZ ' ' A' ' 397' ' ' PHE . 2.2 p-10 -62.04 -43.11 99.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 52.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.685 ' O ' ' HB2' ' A' ' 425' ' ' ALA . . . 77.25 -96.99 1.26 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.435 1.084 . . . . 62.350000000000001 110.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 424' ' ' GLY . . . 163.28 -175.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.572 0.807 . . . . 74.439999999999998 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' THR . . . . . 0.474 ' CG2' ' C ' ' A' ' 425' ' ' ALA . 4.7 p -152.03 158.75 43.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 70.5 110.394 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' PHE . . . . . 0.71 ' CZ ' HD21 ' A' ' 439' ' ' LEU . 13.7 t80 -104.54 165.57 10.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 75.310000000000002 110.969 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' CYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 427' ' ' PHE . 14.1 p -138.06 141.61 40.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.099999999999994 108.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -67.41 124.77 24.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 53.329999999999998 110.29 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -48.82 113.11 0.71 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 74.409999999999997 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -108.83 91.58 3.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 110.991 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 38.52 68.47 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.591 1.182 . . . . 63.030000000000001 110.27 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -145.09 -172.03 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 70.140000000000001 109.309 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -101.73 -33.98 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 71.109999999999999 109.518 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' GLY . . . . . . . . . . . . . . . 85.29 -12.32 58.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 111.0 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.94 4.72 32.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 74.530000000000001 110.212 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLY . . . . . . . . . . . . . . . -126.76 4.0 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.402 1.064 . . . . 34.32 111.015 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -118.84 -83.87 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 0.781 . . . . 73.319999999999993 110.321 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LEU . . . . . 0.71 HD21 ' CZ ' ' A' ' 427' ' ' PHE . 1.8 pp -116.98 176.88 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 62.32 109.339 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.698 ' N ' HD12 ' A' ' 439' ' ' LEU . 1.3 p -87.77 -64.25 1.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 74.230000000000004 109.967 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' CYS . . . . . 0.643 ' N ' HD12 ' A' ' 439' ' ' LEU . 14.0 p -167.72 152.39 6.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.648 1.218 . . . . 53.439999999999998 108.316 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 400' ' ' LEU . 0.0 OUTLIER -58.9 -38.57 79.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.174 . . . . 72.409999999999997 109.349 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLN . . . . . 0.821 ' N ' HD13 ' A' ' 442' ' ' LEU . 30.2 tt0 -70.83 -6.13 35.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 74.450000000000003 110.26 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 441' ' ' CYS . 35.8 t70 -66.17 -40.43 90.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 75.420000000000002 109.23 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' ALA . . . . . 0.814 ' C ' HD11 ' A' ' 452' ' ' ILE . . . -76.46 -28.38 56.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 73.430000000000007 109.327 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' ILE . . . . . 0.716 HD11 HG23 ' A' ' 469' ' ' VAL . 6.9 mt -53.81 -33.23 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 74.140000000000001 109.294 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.78 -56.95 2.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 75.5 109.291 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -55.71 -50.21 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.115 . . . . 72.010000000000005 109.601 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' SER . . . . . 0.646 ' OG ' ' HB1' ' A' ' 445' ' ' ALA . 1.1 m -84.88 137.01 33.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 51.210000000000001 110.004 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 396' ' ' ASN . . . -49.97 -81.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 73.510000000000005 109.264 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' PHE . . . . . 0.576 ' HB2' ' CE1' ' A' ' 528' ' ' PHE . 3.9 m-85 -116.09 129.73 56.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 72.430000000000007 110.923 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' ILE . . . . . 0.859 HG23 ' CG1' ' A' ' 398' ' ' VAL . 19.8 mm -75.52 131.98 34.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.563 1.164 . . . . 75.030000000000001 109.3 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' ILE . . . . . 0.796 HD12 ' CD2' ' A' ' 397' ' ' PHE . 10.4 mt -105.8 116.81 50.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.233 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' LEU . . . . . 0.713 HD22 ' CG1' ' A' ' 486' ' ' VAL . 1.8 mp -95.52 109.88 22.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 73.010000000000005 109.362 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' LEU . . . . . 0.647 ' O ' HG23 ' A' ' 457' ' ' THR . 8.3 tp -79.01 79.44 5.41 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 70.129999999999995 109.326 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' LEU . . . . . 0.773 HD12 HD22 ' A' ' 507' ' ' LEU . 3.9 mt -67.18 93.09 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 74.019999999999996 109.325 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.647 HG23 ' O ' ' A' ' 455' ' ' LEU . 15.8 p -128.57 153.85 46.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 73.340000000000003 110.405 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.4 p -59.23 -16.26 20.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.626 1.204 . . . . 65.329999999999998 109.974 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.634 ' O ' ' HB2' ' A' ' 402' ' ' ALA . 5.3 m-20 -94.14 -18.97 21.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 63.229999999999997 109.361 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 461' ' ' ASP . 46.7 t80 -111.0 160.45 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 74.540000000000006 111.044 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ASP . . . . . 0.598 ' O ' ' CE2' ' A' ' 460' ' ' PHE . 11.1 t70 -106.41 131.07 54.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 71.430000000000007 109.249 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' CYS . . . . . 0.426 ' C ' ' N ' ' A' ' 464' ' ' LEU . 3.4 m -93.94 -53.97 3.78 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 74.120000000000005 108.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' ARG . . . . . . . . . . . . . 9.6 mtp-105 -38.83 -31.18 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 74.230000000000004 110.339 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LEU . . . . . 0.446 ' C ' ' N ' ' A' ' 466' ' ' LEU . 1.5 tm? -72.88 -75.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 65.439999999999998 109.291 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' SER . . . . . 0.656 ' O ' HG12 ' A' ' 469' ' ' VAL . 1.5 p -38.62 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 72.340000000000003 109.966 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.446 ' N ' ' C ' ' A' ' 464' ' ' LEU . 7.0 tt -73.05 -56.57 4.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 74.319999999999993 109.347 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 464' ' ' LEU . 0.4 OUTLIER -52.85 -40.37 63.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 75.319999999999993 109.608 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 469' ' ' VAL . 9.1 mt-30 -70.28 -74.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.087 . . . . 72.439999999999998 110.214 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' VAL . . . . . 0.716 HG23 HD11 ' A' ' 446' ' ' ILE . 7.2 p -40.18 -32.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 74.219999999999999 109.214 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 466' ' ' LEU . 0.9 OUTLIER -63.98 -70.04 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 73.319999999999993 109.227 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' GLN . . . . . 0.619 ' HA ' ' HE2' ' A' ' 474' ' ' MET . 35.3 mm-40 -48.84 -52.01 26.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.46 1.1 . . . . 52.020000000000003 110.304 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . 0.575 ' HB1' ' HB2' ' A' ' 443' ' ' GLN . . . -50.95 -55.46 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.306 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' MET . . . . . 0.57 ' HE3' HG22 ' A' ' 486' ' ' VAL . 22.1 mtt -47.48 -71.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 65.099999999999994 111.032 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' MET . . . . . 0.716 ' HA ' HD11 ' A' ' 477' ' ' LEU . 0.0 OUTLIER -57.42 -15.87 7.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 62.43 111.066 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 471' ' ' GLN . 27.5 t -85.57 -24.52 27.19 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.569 1.168 . . . . 62.020000000000003 109.933 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.496 ' OD1' ' CG ' ' A' ' 479' ' ' ARG . 43.7 t30 -137.56 77.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 70.25 109.256 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' LEU . . . . . 0.716 HD11 ' HA ' ' A' ' 474' ' ' MET . 7.9 mt -101.56 -21.71 14.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.509999999999998 109.278 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . . . . . . . . . 5.9 t -72.2 -3.79 25.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.573 1.171 . . . . 73.329999999999998 110.477 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' ARG . . . . . 0.496 ' CG ' ' OD1' ' A' ' 476' ' ' ASN . 18.3 mmt-85 -101.21 -73.24 0.65 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.62 1.2 . . . . 73.420000000000002 110.347 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 476' ' ' ASN . 0.4 OUTLIER -116.7 -35.01 4.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.200000000000003 110.259 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . 0.438 ' N ' ' OE1' ' A' ' 480' ' ' GLN . . . 38.49 58.07 1.76 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.578 1.174 . . . . 71.530000000000001 111.048 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.09 94.44 43.72 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 73.519999999999996 110.084 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 473' ' ' MET . 18.7 Cg_endo -74.87 0.18 9.15 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.528 1.804 . . . . 62.030000000000001 111.044 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -100.91 15.15 29.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 65.200000000000003 109.224 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' CYS . . . . . . . . . . . . . 4.7 m -93.9 20.99 7.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 61.130000000000003 108.257 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' VAL . . . . . 0.953 ' HB ' HD13 ' A' ' 510' ' ' LEU . 2.2 t -105.87 114.05 44.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 64.239999999999995 109.289 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.495 ' CG2' HD22 ' A' ' 513' ' ' LEU . 3.0 mm -115.61 95.12 42.55 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.572 1.17 . . . . 65.239999999999995 109.29 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' PRO . . . . . 0.424 ' HB3' HD11 ' A' ' 456' ' ' LEU . 18.5 Cg_endo -74.99 97.54 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.496 1.787 . . . . 74.319999999999993 111.012 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' PHE . . . . . 0.671 ' CD2' HD23 ' A' ' 513' ' ' LEU . 6.5 t80 -81.14 168.9 18.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 74.239999999999995 111.021 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' LEU . . . . . 0.557 HD22 ' HD2' ' A' ' 491' ' ' PRO . 2.4 tm? -152.44 103.92 2.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 73.450000000000003 109.274 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' PRO . . . . . 0.557 ' HD2' HD22 ' A' ' 490' ' ' LEU . 18.2 Cg_endo -75.09 172.96 15.34 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.413 1.744 . . . . 75.420000000000002 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' LEU . . . . . 0.662 HD12 ' N ' ' A' ' 492' ' ' LEU . 2.4 mp -78.07 -25.18 47.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 71.230000000000004 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -64.32 -36.23 83.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 52.399999999999999 110.371 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' SER . . . . . 0.439 ' CB ' ' HB ' ' A' ' 457' ' ' THR . 23.1 m -120.5 170.95 8.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 72.010000000000005 110.025 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' SER . . . . . 0.414 ' HA ' HD21 ' A' ' 490' ' ' LEU . 0.6 OUTLIER -147.35 166.49 15.96 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.401 1.063 . . . . 72.230000000000004 109.996 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' PRO . . . . . 0.493 ' HB3' HH21 ' A' ' 512' ' ' ARG . 18.1 Cg_endo -75.01 -31.72 5.96 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.533 1.807 . . . . 73.420000000000002 110.977 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' ALA . . . . . . . . . . . . . . . -64.43 -25.38 67.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 63.450000000000003 109.272 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -79.6 -12.81 59.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 72.409999999999997 110.237 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' LEU . . . . . 0.84 HD13 HG21 ' A' ' 503' ' ' THR . 12.0 mt -90.25 -174.76 4.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.464 1.102 . . . . 74.219999999999999 109.309 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' SER . . . . . 0.402 ' OG ' ' N ' ' A' ' 501' ' ' SER . 3.0 t -80.85 173.24 12.81 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 74.299999999999997 110.046 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' SER . . . . . 0.402 ' N ' ' OG ' ' A' ' 500' ' ' SER . 8.4 t -79.91 -6.57 57.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 70.319999999999993 109.976 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 505' ' ' SER . 7.8 m-20 -97.21 -39.36 9.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 53.409999999999997 109.34 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' THR . . . . . 0.867 ' HA ' HD12 ' A' ' 506' ' ' LEU . 3.2 m -44.38 -26.9 0.38 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.563 1.164 . . . . 70.219999999999999 110.444 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' ALA . . . . . . . . . . . . . . . -74.74 -45.07 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 109.374 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 502' ' ' ASP . 20.8 m -77.95 -10.64 59.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 110.038 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.867 HD12 ' HA ' ' A' ' 503' ' ' THR . 63.1 mt -79.7 -27.71 40.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 51.240000000000002 109.251 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' LEU . . . . . 0.773 HD22 HD12 ' A' ' 456' ' ' LEU . 3.3 pp -111.14 -14.39 13.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 74.109999999999999 109.324 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' SER . . . . . . . . . . . . . 89.5 p -50.73 105.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 72.109999999999999 109.999 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' GLY . . . . . . . . . . . . . . . 134.55 -23.69 3.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.427 1.079 . . . . 71.409999999999997 110.98 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' LEU . . . . . 0.953 HD13 ' HB ' ' A' ' 486' ' ' VAL . 10.6 mt -104.62 136.93 43.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 0.771 . . . . 72.439999999999998 109.26 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' VAL . . . . . 0.621 HG13 ' HE2' ' A' ' 523' ' ' LYS . 3.5 t -53.42 108.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.537 1.148 . . . . 64.340000000000003 109.34 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' ARG . . . . . 0.493 HH21 ' HB3' ' A' ' 496' ' ' PRO . 0.0 OUTLIER -70.45 134.37 47.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 74.420000000000002 110.304 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' LEU . . . . . 0.671 HD23 ' CD2' ' A' ' 489' ' ' PHE . 3.8 tp -104.84 149.49 25.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 61.43 109.372 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' ASP . . . . . 0.553 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 5.0 t0 -145.32 167.72 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.576 1.172 . . . . 60.020000000000003 109.264 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -112.26 -33.99 6.05 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 74.140000000000001 110.211 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' HIS . . . . . 0.45 ' CD2' ' OD2' ' A' ' 514' ' ' ASP . 0.8 OUTLIER -95.83 29.4 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 1.063 . . . . 75.030000000000001 109.549 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' SER . . . . . . . . . . . . . 11.1 t -105.61 156.99 17.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 73.329999999999998 110.004 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' GLN . . . . . . . . . . . . . 3.8 pm0 -102.88 -7.48 21.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 72.439999999999998 110.298 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' ILE . . . . . 0.786 HD11 ' HD3' ' A' ' 523' ' ' LYS . 0.1 OUTLIER -108.91 -26.28 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 71.409999999999997 109.302 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.559 ' CE1' ' HG ' ' A' ' 513' ' ' LEU . 1.2 t80 -39.48 -35.63 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.404 1.065 . . . . 75.340000000000003 111.045 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' ALA . . . . . . . . . . . . . . . -54.91 -47.65 74.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 62.350000000000001 109.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' ARG . . . . . 0.724 ' HB2' HD12 ' A' ' 519' ' ' ILE . 2.0 mpt_? -73.75 -19.18 60.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 73.430000000000007 110.324 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' LYS . . . . . 0.786 ' HD3' HD11 ' A' ' 519' ' ' ILE . 9.1 mmmt -77.06 -39.18 50.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.451 1.095 . . . . 73.239999999999995 109.378 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' VAL . . . . . 0.919 HG11 HD13 ' A' ' 419' ' ' LEU . 0.5 OUTLIER -79.5 -46.64 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 75.340000000000003 109.319 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' A' ' 524' ' ' VAL . . . -64.48 -11.7 36.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.405 1.065 . . . . 44.219999999999999 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -89.59 -56.75 3.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 73.349999999999994 109.259 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 527' ' ' THR . . . . . 0.529 HG23 ' N ' ' A' ' 528' ' ' PHE . 7.7 t -74.99 -54.84 6.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 74.420000000000002 110.415 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 528' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' A' ' 453' ' ' ILE . 32.8 m-85 -86.31 46.35 1.33 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 73.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' LYS . . . . . 0.614 ' O ' HD23 ' A' ' 533' ' ' LEU . 46.7 mttt -45.69 152.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.584 1.177 . . . . 65.540000000000006 109.294 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.486 1.782 . . . . 71.129999999999995 110.945 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' HIS . . . . . 0.551 ' CE1' ' HB3' ' A' ' 529' ' ' LYS . 0.1 OUTLIER -54.51 -19.66 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.517 1.135 . . . . 74.340000000000003 109.545 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -87.95 -37.47 16.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 74.019999999999996 110.317 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' LEU . . . . . 0.653 HD13 ' OD1' ' A' ' 396' ' ' ASN . 0.1 OUTLIER -60.2 -60.89 3.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.382 1.051 . . . . 63.210000000000001 109.28 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' GLN . . . . . 0.408 ' HG2' ' N ' ' A' ' 535' ' ' ALA . 2.3 pt20 -60.58 -36.51 78.69 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 63.329999999999998 110.302 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 531' ' ' HIS . . . -70.43 -16.4 62.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 70.140000000000001 109.348 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' ARG . . . . . 0.414 ' CB ' ' O ' ' A' ' 533' ' ' LEU . 8.6 tpt180 -59.94 -20.12 55.72 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.445 1.091 . . . . 74.510000000000005 110.33 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 539' ' ' MET . 0.8 OUTLIER -97.85 -22.65 16.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.441 1.088 . . . . 75.430000000000007 109.28 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ALA . . . . . 0.474 ' O ' ' CD ' ' A' ' 541' ' ' ARG . . . -40.38 -29.79 0.09 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.569 1.168 . . . . 61.420000000000002 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' MET . . . . . 0.461 ' CA ' ' HE3' ' A' ' 542' ' ' LYS . 69.1 mtm -89.09 -47.22 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 61.229999999999997 110.981 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' TRP . . . . . 0.418 ' CE3' ' HA ' ' A' ' 540' ' ' TRP . 0.1 OUTLIER -48.05 -48.96 32.91 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.991 -1.114 . . . . 74.310000000000002 107.991 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' ARG . . . . . 0.474 ' CD ' ' O ' ' A' ' 538' ' ' ALA . 10.7 ptm180 -40.15 -37.36 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 110.322 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' LYS . . . . . 0.461 ' HE3' ' CA ' ' A' ' 539' ' ' MET . 9.8 mtmp? -48.18 -49.99 30.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 75.329999999999998 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -74.09 -22.46 59.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.607 1.192 . . . . 74.530000000000001 110.205 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' GLN . . . . . 0.453 ' CG ' ' HA ' ' A' ' 541' ' ' ARG . 65.3 mm-40 -71.23 -36.95 72.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 72.400000000000006 110.294 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.541 1.151 . . . . 60.539999999999999 109.311 179.969 . . . . . . . . 0 0 . 1 stop_ save_