data_1muz_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 1muz _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.2 26.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.07 35.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.5 t80 -36.99 151.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 438' ' ' VAL . 11.9 mtt -110.66 -72.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.4 p90 -162.96 178.15 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.413 ' NZ ' HG23 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -94.52 143.53 26.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 438' ' ' VAL . 2.5 m -124.77 166.03 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -132.86 119.08 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.1 156.12 34.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 12.1 mt-30 -126.33 1.33 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.9 m-70 -148.17 169.35 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.8 102.74 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.5 t80 -110.5 103.95 12.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.11 113.03 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.599 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.56 118.4 34.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.1 p -117.4 95.36 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.43 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 5.2 t70 -140.81 -175.73 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.4 t -81.86 -3.25 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -171.89 45.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.4 mm-40 -92.48 170.36 9.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 5.4 tp -121.41 113.58 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -85.34 125.02 32.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.504 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 0.4 OUTLIER -115.63 145.65 42.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.37 130.47 50.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.53 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 102.2 47.68 1.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -111.48 167.16 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.4 m -119.57 123.26 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 39.6 t -135.46 146.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.56 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -105.19 132.58 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 412' ' ' PHE . 54.4 t -82.25 118.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.02 152.62 79.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.75 -172.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.422 ' OE1' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.7 -25.9 37.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -169.72 147.95 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.42 20.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.95 -15.19 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -99.23 -7.98 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.55 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.88 151.86 20.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -103.43 173.41 6.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -84.26 110.24 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.58 2.73 56.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -134.29 137.07 43.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -128.99 171.55 12.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.18 116.15 27.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -141.36 163.83 26.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.529 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 13.6 p -127.81 145.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -70.66 164.41 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.433 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.0 tt0 -62.82 -42.06 99.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -43.21 96.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.529 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 62.2 m-20 -59.83 -34.15 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 437' ' ' LEU . 6.3 t90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 442' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -152.83 -179.47 28.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -126.97 151.35 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -159.71 148.74 14.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -36.41 80.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -12.88 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -101.87 2.14 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.558 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.55 -179.79 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 7.8 tt0 -132.1 151.91 51.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.8 mtt180 -84.87 135.43 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . 0.413 HG23 ' NZ ' ' A' ' 413' ' ' LYS . 86.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.93 27.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.07 -22.42 22.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 14.6 t80 -36.87 149.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -109.59 -69.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.3 p90 -161.1 -179.81 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.4 OUTLIER -99.48 147.45 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.486 ' CG1' HG21 ' A' ' 438' ' ' VAL . 2.7 m -127.44 167.23 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.0 tp60 -132.65 118.98 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.18 150.05 49.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 10.2 mt-30 -120.83 -0.88 10.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.5 169.58 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -107.54 98.43 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.581 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.7 t80 -106.35 104.05 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.78 113.15 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -113.23 117.76 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.98 95.06 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -141.14 -175.49 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -84.52 -0.02 51.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -172.16 46.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -98.14 170.41 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.434 ' CD1' ' HE3' ' A' ' 456' ' ' LYS . 0.1 OUTLIER -125.6 113.2 17.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -81.63 137.86 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.1 mm? -129.5 141.66 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -120.22 133.58 55.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.9 100.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.02 48.38 1.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.451 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 33.5 t70 -112.26 171.0 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 3.8 m -119.13 127.82 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 14.7 t -137.42 146.37 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.577 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.41 133.84 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 412' ' ' PHE . 42.8 t -84.09 121.02 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.468 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.37 152.7 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.34 -174.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.436 ' NE2' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.95 -29.77 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -162.82 147.99 9.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.26 20.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.52 -22.21 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -89.13 -16.42 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -74.84 150.7 39.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -104.19 169.31 8.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 103.64 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.66 0.97 52.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.59 143.33 50.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -134.24 172.43 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.8 OUTLIER -89.4 117.73 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.468 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -137.26 173.49 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.55 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 9.4 p -133.96 144.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.2 mtmp? -77.97 158.93 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 3.0 tt0 -58.11 -39.26 78.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -35.78 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.55 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 76.2 m-20 -65.56 -33.66 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.577 ' CE3' HD12 ' A' ' 437' ' ' LEU . 4.3 t90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.436 ' NH2' ' NE2' ' A' ' 442' ' ' GLN . 2.7 mtm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -163.78 178.1 39.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.427 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.2 t -120.45 153.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.372 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 16.3 p90 -154.69 144.87 15.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.568 1.825 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -36.68 82.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.68 -11.9 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.589 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -104.22 2.14 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.4 p -131.46 177.92 7.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.422 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 35.4 tt0 -129.0 148.07 50.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.0 mtm180 -82.43 134.83 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 141.9 27.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.85 -22.94 19.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.4 t80 -36.78 152.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.9 mtt -114.15 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 26.6 p90 -162.94 170.83 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.437 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.3 OUTLIER -90.38 145.47 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.435 ' O ' ' CE ' ' A' ' 413' ' ' LYS . 3.4 m -125.32 165.29 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -131.54 118.82 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.25 150.62 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -120.68 -2.21 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.9 169.39 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -101.79 108.33 19.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 11.3 t80 -115.09 102.91 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.98 113.94 18.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.58 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 117.84 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.5 p -118.32 93.63 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.436 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 6.1 t0 -142.79 -174.87 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.7 t -91.67 5.32 50.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.49 56.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -120.12 171.92 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.403 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -122.75 122.94 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 6.6 tt0 -89.03 131.33 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 436' ' ' VAL . 3.6 mm? -120.56 147.19 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -129.1 131.92 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.74 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.64 49.81 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.465 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 25.7 t70 -113.87 170.42 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 457' ' ' GLU . 0.3 OUTLIER -118.97 124.96 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 430' ' ' LEU . 3.1 t -136.03 139.49 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.588 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -99.16 133.28 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.449 ' CG1' ' CE ' ' A' ' 411' ' ' MET . 6.4 t -83.18 111.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.0 152.35 59.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.8 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -17.85 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.09 148.39 0.92 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.0 -18.48 18.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -92.68 -7.12 47.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.4 150.94 21.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -102.38 175.01 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.47 108.66 18.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.17 7.87 54.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.7 OUTLIER -138.64 139.49 38.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 171.32 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -89.89 115.59 27.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -134.42 166.39 24.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.526 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 14.5 p -125.37 142.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 1.5 mtmp? -74.22 159.42 32.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.452 ' CB ' HG22 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.48 -39.48 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -38.28 87.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.526 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 82.7 m-20 -64.85 -33.71 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.588 ' CE3' HD13 ' A' ' 437' ' ' LEU . 5.6 t90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 107.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.403 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -163.83 -179.82 38.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.4 151.27 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 15.3 p90 -154.59 145.76 16.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.43 -34.22 76.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -67.47 -9.78 45.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.43 1.56 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.562 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.85 178.59 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.14 151.1 51.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 6.5 mtm-85 -84.52 137.43 33.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 93.0 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.42 13.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 96.2 -18.99 56.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 30.5 t80 -36.87 152.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 438' ' ' VAL . 12.1 mtt -110.23 -72.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 11.5 p90 -164.03 179.87 6.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.74 145.16 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.38 166.46 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -131.98 119.0 20.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.47 147.76 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -119.17 -4.22 10.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.2 m-70 -143.95 169.22 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.33 104.93 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 2.4 t80 -114.49 103.61 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -76.03 113.05 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -113.16 117.97 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 21.6 p -118.1 95.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.441 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 3.9 t0 -140.78 -175.88 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -80.78 -8.84 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -165.32 47.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.3 mm-40 -96.21 170.37 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.474 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -124.38 113.66 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.54 135.92 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.1 mm? -127.18 148.56 50.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.75 132.98 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -40.28 97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.76 47.92 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.433 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 26.9 t0 -110.92 170.33 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 457' ' ' GLU . 2.5 m -119.77 122.96 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 430' ' ' LEU . 2.3 t -137.23 149.7 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.75 133.71 53.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.475 HG13 ' CE ' ' A' ' 411' ' ' MET . 27.5 t -83.38 121.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.47 153.58 80.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.9 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.6 -31.37 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.68 147.76 9.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.35 19.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -15.24 61.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.3 -12.41 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -88.62 151.56 22.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -107.93 158.71 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.45 107.54 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.87 -2.41 30.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -137.77 140.8 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.2 OUTLIER -133.26 172.65 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -86.74 120.17 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.494 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -143.62 160.97 27.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.526 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.6 p -125.88 145.77 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.445 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 1.5 mtmp? -71.66 166.03 22.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.476 ' CB ' HG22 ' A' ' 435' ' ' VAL . 12.2 tt0 -61.76 -41.58 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -43.61 88.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.526 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.2 m-20 -61.39 -33.65 74.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.534 ' CD2' HD13 ' A' ' 437' ' ' LEU . 7.6 t90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 107.99 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.474 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -160.48 -179.35 35.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -125.82 150.03 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.494 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.6 p90 -154.23 147.65 18.39 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.99 118.39 5.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.54 -34.19 76.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.35 -9.85 45.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -105.79 1.53 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.53 178.39 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.45 147.37 51.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 132.98 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 81.7 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.32 26.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.07 -21.99 21.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.3 t80 -36.56 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.443 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 11.6 mtt -111.79 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.8 p90 -162.36 173.72 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 140.29 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.95 165.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -133.87 121.75 22.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.93 150.08 49.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -120.76 -1.21 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.61 169.35 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.93 105.85 16.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.0 t80 -114.28 105.31 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.35 113.1 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.586 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.09 117.98 33.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.94 95.12 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.5 t70 -140.72 -175.67 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -82.76 -1.95 53.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -172.26 46.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.2 mm-40 -95.28 170.38 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -123.95 113.69 18.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.413 ' C ' ' CD2' ' A' ' 430' ' ' LEU . 3.8 tt0 -81.74 137.45 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.52 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 3.1 mm? -127.6 143.77 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.26 131.54 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.24 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.13 48.01 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.79 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.33 121.73 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.52 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 71.0 t -137.14 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.574 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -105.36 133.14 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.443 ' CG1' ' CE ' ' A' ' 411' ' ' MET . 8.7 t -79.69 119.83 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.459 HD11 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.97 153.13 80.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . 0.413 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.74 -176.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -34.01 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -154.08 143.4 15.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.47 18.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.9 -15.64 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.569 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -77.8 149.9 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -108.46 170.46 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -82.55 108.96 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.88 2.61 56.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -135.04 135.44 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.62 171.16 12.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.4 ttm -88.69 113.77 24.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -130.97 170.71 21.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.531 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.7 p -133.97 142.08 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.8 mtmp? -74.75 161.13 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.83 -42.74 89.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -40.12 92.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.531 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.4 m-20 -64.77 -32.08 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.574 ' CE3' HD12 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -159.26 -179.63 34.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -124.17 150.49 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.7 p90 -154.33 147.52 18.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.04 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -32.54 73.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.91 -8.81 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -107.07 0.77 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -126.97 -179.75 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -132.35 149.49 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 8.6 mtm-85 -86.87 136.88 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.85 27.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.92 30.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 29.6 t80 -36.47 154.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.451 ' HE2' ' CG1' ' A' ' 438' ' ' VAL . 7.6 mtt -116.44 -69.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.0 p90 -163.9 177.15 8.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.481 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.0 OUTLIER -95.93 146.41 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.474 HG13 ' CG2' ' A' ' 438' ' ' VAL . 0.9 OUTLIER -126.79 165.7 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.5 tp60 -129.27 119.66 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.472 ' CB ' HD23 ' A' ' 430' ' ' LEU . . . -67.72 146.18 54.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.21 -3.28 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -146.11 169.39 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.18 101.91 11.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.8 t80 -107.18 103.81 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -77.22 112.8 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.573 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.26 118.24 34.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -117.53 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.423 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.7 t70 -140.67 -175.65 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -81.06 -4.16 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.37 44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.7 170.25 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 5.6 tp -121.39 114.92 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.428 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 5.4 tt0 -88.3 133.47 34.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 416' ' ' ALA . 0.4 OUTLIER -126.64 151.4 48.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 134.49 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.06 100.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.84 44.26 2.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.453 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 23.5 t70 -110.04 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.481 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 1.1 m -115.23 126.95 72.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.498 ' CG2' ' HG2' ' A' ' 456' ' ' LYS . 12.0 t -137.56 138.7 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -99.28 133.11 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.474 ' CG2' HG13 ' A' ' 414' ' ' VAL . 40.3 t -84.86 111.49 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.471 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -121.78 152.97 59.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.33 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -90.39 -8.07 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.407 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER 179.52 148.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . 0.407 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.92 19.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.72 -28.04 65.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.83 -7.6 58.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.4 tt0 -86.21 148.9 25.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.25 158.99 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.13 107.44 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.52 5.57 53.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.71 143.4 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.23 171.87 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.56 113.69 25.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -138.15 172.06 23.1 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.54 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 5.2 p -136.71 145.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.498 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 6.3 mtmp? -74.06 163.79 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 435' ' ' VAL . 5.6 tt0 -61.95 -46.48 89.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -38.26 74.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.54 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 54.0 m-20 -66.55 -33.76 76.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.416 ' CE3' HD12 ' A' ' 437' ' ' LEU . 4.4 t90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -151.57 -179.28 27.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.31 148.89 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.9 p90 -158.56 149.82 16.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.05 118.01 5.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -33.57 75.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -68.18 -9.14 44.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.607 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -105.84 3.61 28.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -129.24 -179.45 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -132.92 146.57 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.541 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -83.11 134.04 35.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 89.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.54 30.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.05 -18.04 38.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.6 t80 -36.86 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 11.7 mtt -110.96 -71.86 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.8 p90 -162.38 179.82 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 147.77 23.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.68 166.76 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -131.8 124.58 29.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -71.15 150.17 45.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.01 -2.85 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.2 m-70 -144.56 170.03 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 102.56 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -109.87 106.06 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -79.49 113.49 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -108.55 118.12 35.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -115.4 93.42 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -143.52 -174.04 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -90.06 7.95 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 t70 178.11 62.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.2 OUTLIER -115.73 171.6 7.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.417 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 3.2 tp -120.55 113.3 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -83.18 131.74 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.493 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.2 mm? -122.94 140.69 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.06 130.85 53.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.81 101.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 96.42 51.57 1.69 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.1 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.414 ' CG ' ' CE ' ' A' ' 431' ' ' LYS . 7.8 t0 -114.3 171.76 7.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 2.3 m -119.47 124.45 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 430' ' ' LEU . 8.2 t -136.16 146.25 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.568 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.42 131.28 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.468 ' CG1' ' HE3' ' A' ' 411' ' ' MET . 15.2 t -80.91 118.93 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.468 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.21 152.69 79.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.16 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -29.2 40.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -159.91 143.78 10.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -19.47 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -14.73 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.84 -2.84 43.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.66 152.59 19.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.409 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 12.8 t70 -102.7 168.19 9.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 102.46 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.03 -7.98 29.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -126.73 138.97 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 172.18 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -89.82 115.77 27.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -137.66 171.77 23.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 459' ' ' ASP . 7.3 p -133.27 145.36 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.1 OUTLIER -80.53 162.01 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.431 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 7.4 tt0 -58.48 -35.54 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -47.22 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.473 ' CB ' HG22 ' A' ' 455' ' ' VAL . 39.4 m-20 -60.52 -33.6 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.568 ' CE3' HD12 ' A' ' 437' ' ' LEU . 5.4 t90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.35 -179.81 34.43 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.417 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.14 149.45 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.462 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.5 p90 -156.69 146.56 15.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.69 -33.54 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -68.04 -9.0 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.82 1.96 25.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.517 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.79 179.81 5.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -131.89 144.87 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.493 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.2 mtm180 -79.64 139.61 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.21 13.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 98.03 -19.27 55.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.6 t80 -37.07 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.421 ' HE2' ' CG1' ' A' ' 438' ' ' VAL . 10.3 mtt -113.93 -72.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 9.1 p90 -161.47 172.78 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.477 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.1 OUTLIER -92.74 144.25 25.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.434 ' O ' ' CE ' ' A' ' 413' ' ' LYS . 1.0 OUTLIER -124.43 165.86 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.2 tp60 -130.16 118.46 21.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.3 150.28 46.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.98 -1.78 9.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.5 m-70 -145.84 169.52 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -107.48 99.12 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -107.14 103.63 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.92 112.5 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.582 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.37 118.12 33.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.1 p -117.48 95.23 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.7 t70 -141.02 -175.54 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.2 t -80.03 -13.29 59.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 3.4 p-10 -161.18 45.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.9 mm-40 -92.19 170.28 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.426 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 3.8 tp -124.26 113.99 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -84.13 133.23 34.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.533 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 3.8 mm? -125.23 137.0 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -117.68 129.77 55.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.42 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.4 48.55 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 9.8 t0 -113.3 170.21 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.477 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 0.2 OUTLIER -119.32 124.5 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.533 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 44.1 t -136.26 140.54 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.575 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -101.38 132.47 46.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.421 ' CG1' ' HE2' ' A' ' 411' ' ' MET . 4.1 t -82.99 113.18 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -122.15 153.46 61.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -57.05 -172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -9.22 52.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 147.94 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.44 19.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.11 -26.78 64.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -88.04 -4.22 58.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -87.4 150.94 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -107.25 169.44 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.27 97.1 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 476' ' ' ASN . . . 109.42 1.09 31.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -133.09 144.34 49.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -136.94 172.71 12.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.13 116.7 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.489 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -139.49 164.74 25.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 14.8 p -127.1 145.74 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.41 ' CG ' HG21 ' A' ' 436' ' ' VAL . 2.6 mtmp? -74.7 164.16 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 16.5 tt0 -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -45.33 90.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 28.5 m-20 -59.92 -33.79 72.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.575 ' CE3' HD12 ' A' ' 437' ' ' LEU . 7.2 t90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -156.4 179.99 31.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -124.21 152.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 10.3 p90 -158.16 147.53 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 116.3 4.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.59 -32.02 72.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 450' ' ' GLY . 3.3 p30 -68.66 -9.6 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.586 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.33 2.03 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.575 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -127.29 178.64 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.69 144.12 51.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -80.09 134.57 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . 0.416 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 32.9 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.414 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.78 23.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.25 -22.08 21.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.45 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.413 ' HE1' ' CG1' ' A' ' 438' ' ' VAL . 7.8 mtt -117.15 -69.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 438' ' ' VAL . 26.3 p90 -157.2 -179.91 8.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.69 146.83 27.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.42 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -127.22 164.34 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.3 tp60 -133.25 119.46 19.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 478' ' ' THR . . . -67.7 155.94 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -126.1 0.77 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.22 169.97 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.25 102.11 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.588 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 2.7 t80 -114.57 109.92 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 4.5 m -79.22 113.75 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.588 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.97 116.77 30.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.0 p -119.59 93.61 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -141.56 -175.77 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.9 t -78.33 -14.38 59.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -156.44 42.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 0.0 OUTLIER -92.04 168.19 11.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.3 tp -129.02 113.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.38 136.04 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.451 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.3 mm? -128.62 139.5 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -121.23 130.11 53.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.07 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.67 51.06 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 35.1 t70 -113.26 166.13 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 13.7 m -118.79 124.41 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.459 HG21 ' CG ' ' A' ' 456' ' ' LYS . 98.3 t -135.43 148.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.606 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.98 131.69 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 412' ' ' PHE . 9.9 t -80.05 114.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.48 152.33 71.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -86.33 -17.83 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.89 148.67 1.72 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.11 19.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.77 -17.95 61.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 -7.04 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.552 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -93.77 152.97 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 36.1 t0 -107.77 171.36 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.08 105.7 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 106.86 -13.87 41.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -119.72 135.94 54.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.409 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -125.32 170.46 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.61 113.44 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . -133.99 164.85 24.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.574 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.2 p -125.65 143.54 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.459 ' CG ' HG21 ' A' ' 436' ' ' VAL . 1.3 mtmp? -75.54 161.45 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 1.8 tt0 -58.48 -40.56 83.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -40.07 96.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.574 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 11.5 m-20 -61.25 -32.99 72.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.606 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.36 179.94 40.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.39 157.99 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 18.9 p90 -159.08 152.72 19.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -33.93 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -64.6 -21.39 66.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -94.52 0.53 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.56 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.21 179.71 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -130.92 150.14 52.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.8 mtt180 -86.09 129.97 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 91.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.458 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 137.19 21.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.6 -22.66 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.1 t80 -36.29 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.7 mtt -110.97 -71.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 438' ' ' VAL . 32.3 p90 -159.84 177.57 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 147.41 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 436' ' ' VAL . 3.5 m -130.5 166.71 27.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.8 tp60 -133.46 121.67 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.77 150.05 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -121.96 -3.3 9.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.9 m-70 -143.92 169.41 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -108.21 100.47 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.7 t80 -109.24 104.25 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.4 m -75.73 113.09 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.32 118.26 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -117.61 94.82 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.47 -175.19 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 3.6 p-10 -160.73 41.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -91.33 170.27 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 456' ' ' LYS . 0.1 OUTLIER -127.03 117.19 21.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.445 ' O ' ' NZ ' ' A' ' 456' ' ' LYS . 3.9 tt0 -85.11 137.68 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -129.2 139.76 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -120.15 131.81 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -39.94 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 48.57 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 39.9 t0 -113.97 167.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.2 m -116.2 122.19 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 414' ' ' VAL . 3.1 t -135.46 141.71 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -105.57 131.87 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 412' ' ' PHE . 35.3 t -78.46 120.07 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.488 HD11 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.85 152.61 77.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.17 -175.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -80.99 -21.31 40.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.3 147.98 3.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.74 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.51 -20.47 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -1.27 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -96.85 152.8 18.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.97 170.85 7.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.34 100.17 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 108.93 -0.94 31.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.087 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -128.19 144.69 51.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.475 HD11 ' CE1' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -136.36 172.21 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.419 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -89.53 113.92 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.488 ' CA ' HD11 ' A' ' 439' ' ' ILE . . . -131.14 171.74 20.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.537 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 5.9 p -137.28 142.75 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.0 OUTLIER -75.94 160.4 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -58.72 -41.3 86.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -38.65 86.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.537 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -67.5 -31.51 71.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.587 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -156.76 -179.1 31.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.7 t -121.23 153.55 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.475 ' CE1' HD11 ' A' ' 452' ' ' LEU . 12.4 p90 -160.37 150.76 15.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.5 tt0 -67.58 -33.97 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -10.65 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.572 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -103.97 1.47 31.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -127.84 -179.93 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -128.18 147.64 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -84.29 134.45 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 139.35 24.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.32 -22.35 27.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.103 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 35.2 t80 -36.82 152.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.416 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 7.9 mtt -113.22 -65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 34.3 p90 -164.0 177.05 8.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.493 ' NZ ' ' CD2' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -96.41 141.86 29.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 438' ' ' VAL . 1.1 m -130.75 163.02 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.04 128.31 34.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.431 ' HB3' ' CE1' ' A' ' 477' ' ' PHE . . . -68.49 148.1 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -117.66 -1.33 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.92 170.84 15.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.593 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.75 104.82 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.9 t80 -114.69 103.59 11.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -76.62 113.03 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.29 118.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 72.7 p -117.73 94.87 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.8 t70 -140.85 -175.71 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.4 t -86.12 3.93 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.87 39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.47 170.06 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.427 ' CD1' ' HA3' ' A' ' 471' ' ' GLY . 1.3 tp -122.55 113.76 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.62 135.8 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.493 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.1 mm? -130.68 147.75 52.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.42 127.93 41.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -31.9 104.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 48.05 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.474 ' OD2' ' CE ' ' A' ' 431' ' ' LYS . 3.7 t0 -110.96 167.66 10.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 6.3 m -119.6 122.36 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 430' ' ' LEU . 78.1 t -135.91 149.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.447 ' CG2' HG12 ' A' ' 414' ' ' VAL . 40.3 t -79.28 120.69 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.458 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.57 154.14 80.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.57 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -82.96 -31.11 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.77 146.66 11.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.66 19.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.1 OUTLIER -69.34 -24.29 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.5 mt-10 -89.66 -15.38 32.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.584 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.6 tt0 -79.65 149.6 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.52 134.58 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.68 117.85 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.26 57.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -129.29 140.35 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.38 172.07 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.446 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -89.29 113.91 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -135.78 160.01 24.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.519 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 1.6 p -122.66 144.91 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.482 ' CG ' HG21 ' A' ' 436' ' ' VAL . 1.1 mtmp? -76.81 164.38 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 2.2 tt0 -58.51 -43.45 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.93 83.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.519 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 79.9 m-20 -68.03 -32.49 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.494 ' CD2' HD13 ' A' ' 437' ' ' LEU . 4.3 t90 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 428' ' ' LEU . . . -157.11 -179.45 32.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.52 151.1 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 7.4 p90 -157.62 149.55 17.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -33.09 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.9 -7.34 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.57 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -105.98 1.59 26.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.472 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.26 -179.84 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.93 153.95 51.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -76.99 138.46 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 138.95 23.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.94 -22.65 17.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.6 t80 -36.36 151.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -112.37 -71.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.0 p90 -160.57 170.43 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.462 ' CD ' HD23 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -89.05 141.44 28.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 4.7 m -122.56 166.03 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -131.43 119.68 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.43 145.56 54.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.01 -4.82 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.0 m-70 -143.93 169.45 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -107.42 104.31 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -112.89 104.0 11.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.52 113.99 14.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -108.62 117.85 35.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.0 p -116.26 93.29 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.49 -174.08 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' THR . . . . . 0.405 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 5.8 t -91.12 9.34 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 425' ' ' THR . 6.1 m-20 178.6 61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -117.42 171.65 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.478 ' CD1' ' HD3' ' A' ' 456' ' ' LYS . 0.2 OUTLIER -123.21 113.33 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -80.0 137.53 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.5 mm? -129.14 137.69 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -119.02 131.47 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.44 101.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 49.44 1.97 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -114.41 171.26 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.28 124.53 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 4.2 t -137.24 140.03 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.66 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -100.57 132.46 45.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.449 HG22 ' CE1' ' A' ' 412' ' ' PHE . 6.9 t -81.68 110.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.475 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -118.12 153.39 51.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.38 -172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -81.08 -32.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.09 146.85 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.97 19.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -27.14 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.19 -15.63 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.1 tt0 -77.65 147.64 35.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -109.97 138.72 45.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 112.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.64 -13.14 38.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.569 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.02 135.72 48.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.477 ' CD1' ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -128.66 172.71 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.7 ttm -89.79 113.77 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.475 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -132.33 166.17 23.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.567 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.6 p -128.8 145.14 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.1 OUTLIER -77.1 160.41 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.58 -38.07 80.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -40.98 94.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.567 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 6.9 m-20 -61.12 -32.22 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.66 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.005 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.457 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -168.29 179.68 41.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.5 t -124.13 152.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' A' ' 452' ' ' LEU . 9.4 p90 -157.84 151.33 19.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.35 4.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -35.18 78.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -11.66 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -102.39 1.63 35.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.574 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -128.61 -179.63 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -129.05 148.2 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.1 mtm180 -84.67 130.34 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 60.7 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.87 24.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.67 -22.12 22.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.5 t80 -36.63 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.472 ' CE ' HG13 ' A' ' 438' ' ' VAL . 11.3 mtt -109.49 -71.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.9 p90 -159.2 178.98 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.421 ' CE ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -98.56 143.4 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.46 157.52 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -123.97 127.54 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -69.95 139.36 52.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -109.67 -5.49 15.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.506 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 84.2 m-70 -141.6 169.58 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.566 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 3.3 p-10 -103.7 106.89 17.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 8.0 t80 -114.31 102.68 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.69 113.72 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.62 117.93 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.0 p -118.85 93.32 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 1.1 t70 -143.1 -174.9 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.2 t -94.08 7.68 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 30.7 m-20 -173.6 52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.438 ' HB3' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -119.2 171.92 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.65 120.52 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.92 140.52 31.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.519 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.41 147.83 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.72 131.37 46.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.4 100.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 97.42 49.56 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.466 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 25.7 t0 -112.27 170.86 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.421 HG12 ' CE ' ' A' ' 413' ' ' LYS . 2.9 t -115.19 123.47 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.519 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 2.9 t -137.52 143.82 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -111.37 131.45 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.512 HG21 ' CE2' ' A' ' 412' ' ' PHE . 46.1 t -78.39 121.0 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -130.19 153.27 81.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . 0.418 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.4 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 470' ' ' ARG . 8.0 pt20 -81.66 -28.59 33.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.87 148.13 5.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.28 19.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -14.92 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.5 -14.64 19.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -89.36 150.91 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.07 174.17 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 115.43 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.16 -4.24 57.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.8 OUTLIER -133.08 137.8 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.529 HD11 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -132.71 172.63 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.467 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -88.11 113.58 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -133.42 166.31 23.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.555 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.7 p -129.97 145.64 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.466 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 11.1 mtmt -79.68 163.33 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.94 -44.8 87.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 t -57.08 -39.34 74.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.052 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.555 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 97.4 m-20 -69.22 -34.86 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.536 ' CD2' HD11 ' A' ' 437' ' ' LEU . 6.8 t90 . . . . . 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' A' ' 442' ' ' GLN . 6.3 mtm180 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.05 -178.89 33.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.62 156.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 0.804 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.574 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.5 p90 -160.73 148.7 12.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.0 OUTLIER -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -67.77 -9.47 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.568 ' CD1' HG22 ' A' ' 478' ' ' THR . 0.0 OUTLIER -104.82 1.1 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -125.98 176.43 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 415' ' ' GLN . 0.4 OUTLIER -122.55 139.01 54.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.468 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 9.7 mtm-85 -79.37 129.78 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.89 24.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 89.39 -23.07 20.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 26.5 t80 -36.42 148.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.462 ' CE ' HG11 ' A' ' 438' ' ' VAL . 10.7 mtt -112.06 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.5 p90 -166.31 175.71 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.1 OUTLIER -97.18 146.22 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.0 m -129.42 162.44 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 11.5 tp60 -127.68 121.84 31.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.7 147.99 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -120.11 -1.48 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.4 m-70 -144.99 169.96 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 10.6 p-10 -110.74 101.68 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.64 109.44 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.15 113.97 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.59 116.62 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 34.8 p -119.94 93.84 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.9 t0 -141.56 -176.49 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.8 t -75.59 -15.56 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -157.0 44.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.49 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 0.0 OUTLIER -91.83 167.2 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 4.3 tp -127.02 113.28 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.03 132.07 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.479 ' CD1' HG21 ' A' ' 436' ' ' VAL . 2.2 mm? -125.21 142.69 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -124.73 128.2 48.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.67 102.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.93 49.83 1.87 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.447 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 4.4 t70 -113.13 169.17 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.11 120.79 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 456' ' ' LYS . 25.0 t -134.49 148.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.559 HD12 ' CG ' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -112.26 133.3 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 412' ' ' PHE . 52.0 t -79.3 119.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.03 153.35 78.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . 0.456 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.04 117.28 4.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.71 -173.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -24.18 31.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.8 146.99 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.74 19.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -18.26 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.46 -13.84 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.31 153.07 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.444 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 32.4 t0 -110.13 166.52 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.06 106.69 11.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 115.43 -23.04 11.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -118.21 133.71 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.91 170.43 10.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -87.51 113.41 23.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.469 ' O ' ' CD2' ' A' ' 428' ' ' LEU . . . -134.38 163.58 24.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.542 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 6.6 p -127.45 143.66 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.482 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 7.3 mtmp? -74.83 164.09 26.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.79 -41.19 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -45.1 96.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.542 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 49.0 m-20 -68.4 -34.69 76.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.559 ' CG ' HD12 ' A' ' 437' ' ' LEU . 6.2 t90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -157.93 179.47 33.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.74 160.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 15.3 p90 -163.66 154.46 13.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.25 -30.57 70.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -6.84 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.8 1.92 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.98 179.9 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -126.6 142.61 51.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -81.91 129.56 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.86 30.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.03 -24.73 10.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.2 t80 -36.24 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -107.24 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.569 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 34.9 p90 -157.01 176.9 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.3 148.05 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 438' ' ' VAL . 2.2 m -136.46 157.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 479' ' ' GLU . 0.2 OUTLIER -125.84 129.43 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -71.89 141.61 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -111.76 -2.36 15.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 87.4 m-70 -145.51 169.61 18.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.74 102.43 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.586 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 2.5 t80 -111.93 103.53 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.0 m -76.33 113.05 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -113.12 118.09 33.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.3 p -117.91 95.26 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.0 t0 -140.77 -175.69 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.5 t -85.0 -0.79 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -169.97 41.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.0 mm-40 -94.05 170.5 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.63 113.63 16.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.489 ' O ' ' CD ' ' A' ' 456' ' ' LYS . 4.5 tt0 -81.62 140.47 34.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.544 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.18 154.48 47.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -131.41 131.64 43.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.79 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 45.22 1.79 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -108.96 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 3.8 t -112.47 128.32 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.544 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 2.5 t -138.0 148.3 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.657 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -118.01 125.48 50.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 412' ' ' PHE . 54.0 t -76.82 119.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.74 153.25 77.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.3 OUTLIER -84.99 -29.91 24.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -160.36 147.5 12.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.45 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.98 -27.55 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.44 -14.26 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -81.37 150.51 28.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -114.9 155.0 27.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.63 110.47 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 106.08 -4.13 38.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -138.73 138.71 37.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.86 171.99 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' MET . . . . . 0.404 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -87.27 114.48 23.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -133.51 175.15 20.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.51 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 10.7 p -137.4 143.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -81.02 163.06 23.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -58.56 -38.79 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -46.5 86.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.51 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.6 m-20 -60.04 -32.8 71.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.657 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.0 t90 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.39 -178.85 37.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.67 150.01 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 11.4 p90 -154.11 146.78 17.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -7.48 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.575 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -108.19 0.83 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.552 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.5 p -126.6 179.18 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 415' ' ' GLN . 0.5 OUTLIER -126.9 142.63 51.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtm180 -81.32 137.42 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.415 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.54 26.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.812 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.47 -24.53 11.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.5 t80 -36.36 146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.1 mtt -107.06 -66.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.0 p90 -159.16 -179.92 8.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.47 ' CE ' HG13 ' A' ' 435' ' ' VAL . 0.7 OUTLIER -99.96 147.65 25.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.5 ' CB ' ' HA ' ' A' ' 480' ' ' ARG . 2.5 m -137.84 164.72 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -134.1 136.06 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' A' ' 478' ' ' THR . . . -79.12 152.12 30.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -118.67 -0.39 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.6 m-70 -146.79 169.35 19.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.4 OUTLIER -106.28 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -108.26 106.82 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.02 113.7 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.66 116.79 30.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.2 p -118.55 93.87 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 4.4 t70 -142.5 -175.42 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.2 t -87.62 3.43 47.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -169.89 37.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -92.79 170.23 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 456' ' ' LYS . 0.1 OUTLIER -130.18 113.68 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.77 139.58 38.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.546 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.3 mm? -130.85 147.11 52.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.482 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -127.38 133.26 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.59 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.45 45.79 2.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.482 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 4.4 t70 -107.56 167.36 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.47 HG13 ' CE ' ' A' ' 413' ' ' LYS . 10.7 t -111.38 125.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 2.4 t -137.46 139.89 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -109.41 126.17 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 412' ' ' PHE . 39.0 t -74.61 118.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.09 152.91 76.48 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.46 -175.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -81.52 -30.61 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.75 147.38 11.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.75 19.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.4 OUTLIER -70.83 -23.1 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.9 mm-40 -89.86 -16.15 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.3 tt0 -82.27 151.27 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.56 175.13 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -89.24 98.33 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 120.09 -23.1 8.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -117.66 135.49 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.76 171.98 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.45 113.12 22.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.01 167.08 22.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.546 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 14.4 p -128.75 142.29 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.0 OUTLIER -78.79 162.44 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.76 -38.65 78.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -43.65 98.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.546 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 21.7 m-20 -63.47 -32.76 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.6 t90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.475 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -162.74 178.5 38.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -125.67 161.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.464 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 11.0 p90 -164.04 156.17 14.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.429 1.752 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.4 tt0 -66.98 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -63.57 -30.55 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -84.24 3.25 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -134.95 179.6 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -141.43 128.15 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 414' ' ' VAL . 6.0 ptt180 -75.78 140.77 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.416 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 138.98 23.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.31 -20.61 25.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 23.2 t80 -36.6 154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.459 ' CE ' HG12 ' A' ' 438' ' ' VAL . 12.9 mtt -113.08 -75.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.8 p90 -160.44 175.4 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 148.38 22.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 436' ' ' VAL . 2.3 m -131.72 161.73 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.7 tp60 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 430' ' ' LEU . . . -67.12 136.54 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 479' ' ' GLU . 11.1 mt-30 -108.76 -5.61 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.512 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 85.8 m-70 -144.45 170.56 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.19 103.8 13.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 477' ' ' PHE . 1.4 t80 -108.57 103.88 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.94 113.05 12.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.27 118.48 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.7 p -117.27 94.93 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.6 t0 -141.13 -175.38 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -86.83 3.1 46.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 39.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.19 170.26 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.483 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.01 113.47 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -84.68 136.11 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 436' ' ' VAL . 0.3 OUTLIER -129.91 145.53 51.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.472 ' HD2' ' CB ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.46 132.29 53.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.91 106.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.27 41.5 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 431' ' ' LYS . 5.2 t0 -104.57 163.21 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.79 118.06 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 430' ' ' LEU . 79.1 t -134.56 144.01 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.576 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.39 132.8 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.459 HG12 ' CE ' ' A' ' 411' ' ' MET . 42.9 t -78.57 121.47 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.473 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.45 154.0 80.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . 0.411 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.94 -171.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.54 -20.96 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.64 146.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.69 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.68 -19.09 62.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -94.19 -13.06 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -89.07 151.52 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -110.17 159.84 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 449' ' ' GLU . 4.9 pt-20 -71.96 115.5 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.481 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.38 -0.33 55.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.29 138.88 38.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -133.08 172.6 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.0 ttm -88.93 115.53 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.473 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -131.94 169.54 22.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.56 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.4 p -134.88 144.56 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.433 ' CG ' HG23 ' A' ' 436' ' ' VAL . 2.6 mtmt -75.23 159.87 31.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.52 -40.94 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -36.99 82.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.56 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 60.2 m-20 -67.88 -31.91 72.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.576 ' CE3' HD11 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 107.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -163.34 178.73 38.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.75 153.53 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.491 ' CE1' HD13 ' A' ' 452' ' ' LEU . 9.2 p90 -161.57 150.82 13.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 116.91 4.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.62 -34.49 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -66.48 -10.5 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -103.06 2.91 35.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.567 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -128.63 -179.61 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 417' ' ' GLN . 2.4 tt0 -126.21 148.05 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.4 mtm180 -88.51 128.94 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.66 30.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.437 1.756 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.84 -22.65 16.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.4 t80 -36.84 148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.454 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 10.1 mtt -109.39 -68.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.561 ' CE2' HG23 ' A' ' 438' ' ' VAL . 27.1 p90 -159.25 -179.99 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.425 ' NZ ' HG22 ' A' ' 481' ' ' VAL . 0.9 OUTLIER -101.8 147.53 26.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 436' ' ' VAL . 2.3 m -134.25 156.42 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -121.69 131.11 53.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -73.12 137.93 45.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.86 -4.31 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.2 m-70 -142.77 170.32 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.97 104.11 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.551 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.4 t80 -114.77 105.1 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -76.04 114.72 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -109.88 117.79 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 36.2 p -116.48 93.18 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -143.31 -173.86 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 2.3 t -91.26 7.35 41.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.5 OUTLIER -178.8 61.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.46 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -118.59 171.75 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.403 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 11.4 tp -122.36 113.16 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . 0.414 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 6.2 tt0 -81.24 130.05 34.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -122.49 142.18 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -123.99 128.57 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -35.09 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 95.07 52.91 1.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.403 ' N ' HE21 ' A' ' 415' ' ' GLN . 23.3 t0 -114.44 177.39 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 457' ' ' GLU . 96.9 t -118.51 124.73 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 430' ' ' LEU . 5.1 t -138.4 133.29 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.579 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -104.7 127.79 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.561 HG23 ' CE2' ' A' ' 412' ' ' PHE . 59.9 t -76.44 120.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.465 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.34 153.76 80.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.7 -27.34 27.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.23 147.0 7.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.0 20.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -23.8 62.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.49 -16.35 30.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -81.61 150.72 27.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -115.31 164.11 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.85 116.03 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.39 -15.95 55.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -127.63 137.24 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -131.11 172.69 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.76 113.56 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -131.5 171.89 21.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 7.7 p -130.27 140.24 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 435' ' ' VAL . 19.9 mtmt -79.15 162.0 26.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 435' ' ' VAL . 5.5 tt0 -57.79 -42.14 83.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -45.95 87.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 4.9 m-20 -60.36 -33.26 72.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.579 ' CE3' HD11 ' A' ' 437' ' ' LEU . 4.9 t90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -154.41 -179.55 29.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 473' ' ' PHE . 2.9 t -126.59 151.0 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.553 ' CE1' HD13 ' A' ' 452' ' ' LEU . 6.8 p90 -157.33 149.15 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . 0.414 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.67 -31.28 71.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -6.96 37.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 418' ' ' HIS . 0.0 OUTLIER -108.45 1.33 21.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.485 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -125.76 179.96 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 415' ' ' GLN . 15.5 tt0 -124.32 135.06 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -78.53 127.4 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . 0.425 HG22 ' NZ ' ' A' ' 413' ' ' LYS . 39.6 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . 0.419 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.8 17.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 93.15 -21.93 37.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 12.1 t80 -36.66 150.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.6 mtt -109.61 -71.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 30.0 p90 -158.64 179.77 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.3 OUTLIER -97.62 151.31 20.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -133.18 164.61 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.6 tp60 -132.22 118.79 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 430' ' ' LEU . . . -65.09 150.41 48.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -122.4 -2.75 8.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.2 m-70 -145.48 169.81 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.37 99.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.5 t80 -106.91 104.49 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 112.8 12.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 118.46 34.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 17.3 p -117.58 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.19 -175.62 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.0 t -79.9 -13.27 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.29 45.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -92.19 169.98 10.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.411 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 3.7 tp -123.52 114.69 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.65 127.04 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -117.14 141.88 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -122.33 128.74 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.04 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.84 49.79 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 23.3 t0 -113.48 167.48 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.78 124.21 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 430' ' ' LEU . 46.5 t -136.73 150.37 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.558 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -112.18 130.54 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.518 HG23 ' CE1' ' A' ' 412' ' ' PHE . 55.7 t -78.37 122.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.479 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.96 153.56 78.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.65 -172.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.7 OUTLIER -82.36 -29.73 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -162.6 146.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.18 19.87 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.92 -27.08 64.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.77 -13.14 46.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.19 148.23 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -111.45 148.31 33.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.7 109.21 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.45 -4.81 31.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -138.32 142.87 39.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.45 172.1 13.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.12 115.65 26.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.479 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -132.89 174.71 20.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.495 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.7 p -137.36 143.49 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.451 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.0 OUTLIER -78.06 161.51 27.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -45.38 88.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.495 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.9 m-20 -59.4 -33.0 70.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.558 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -155.02 -179.61 30.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.411 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.96 147.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.445 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 14.5 p90 -154.24 146.51 17.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.73 -31.08 70.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -70.6 -6.94 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -110.52 1.49 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -128.05 -179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.27 144.23 51.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -83.24 129.9 35.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 415' ' ' GLN . 66.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.28 22.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.58 -22.5 24.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.4 t80 -36.01 153.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' MET . . . . . 0.404 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.0 mtt -113.99 -70.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' PHE . . . . . 0.592 ' CE1' HG22 ' A' ' 438' ' ' VAL . 7.2 p90 -159.46 176.63 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' LYS . . . . . 0.447 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.2 OUTLIER -94.94 150.21 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 436' ' ' VAL . 4.9 m -132.49 166.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 15.7 tp60 -132.79 124.77 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' ALA . . . . . 0.475 ' CB ' HD21 ' A' ' 430' ' ' LEU . . . -71.29 144.94 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -115.79 -2.67 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' HIS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.4 m-70 -148.06 169.43 19.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -104.67 103.25 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.5 t80 -108.78 103.64 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.31 112.92 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.96 118.04 33.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.5 p -117.47 95.15 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 8.9 t0 -140.77 -175.52 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 5.1 t -83.11 0.21 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -174.61 43.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.99 170.34 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' LEU . . . . . 0.43 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 9.4 tp -121.61 114.79 21.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.65 132.42 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -125.56 152.07 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.9 134.78 48.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.95 98.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.49 49.37 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' ASP . . . . . 0.455 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 25.6 t70 -112.43 168.77 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 5.3 m -118.76 123.0 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' VAL . . . . . 0.475 HG23 ' CD2' ' A' ' 430' ' ' LEU . 44.0 t -134.22 146.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' LEU . . . . . 0.641 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -110.34 130.14 55.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' VAL . . . . . 0.592 HG22 ' CE1' ' A' ' 412' ' ' PHE . 47.5 t -77.97 121.62 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' ILE . . . . . 0.47 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.28 153.11 80.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -21.2 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.45 147.86 1.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.368 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -16.55 20.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 -17.43 61.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.72 -10.57 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.14 153.05 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 14.7 t70 -110.87 170.06 8.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -82.72 114.64 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.38 -18.16 36.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -124.56 143.09 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.32 172.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.61 114.07 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -131.66 174.23 20.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . 0.538 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.4 p -134.96 142.94 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.0 OUTLIER -79.1 160.18 27.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' GLU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 3.6 tt0 -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -43.46 90.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ASP . . . . . 0.538 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 22.4 m-20 -59.92 -32.96 71.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' TRP . . . . . 0.641 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.13 -179.91 35.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' VAL . . . . . 0.43 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -123.73 149.97 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.1 p90 -154.05 147.13 17.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.02 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.12 -30.09 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.26 -6.82 42.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.577 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -110.03 2.24 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' THR . . . . . 0.548 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.14 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 153.46 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 0.8 OUTLIER -89.7 139.17 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.504 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -58.91 161.62 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.261 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -28.27 12.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -115.36 155.03 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 159.29 31.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 134.78 18.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.2 26.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.07 35.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.5 t80 -36.99 151.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 438' ' ' VAL . 11.9 mtt -110.66 -72.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.4 p90 -162.96 178.15 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.413 ' NZ ' HG23 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -94.52 143.53 26.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 438' ' ' VAL . 2.5 m -124.77 166.03 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -132.86 119.08 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.1 156.12 34.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 12.1 mt-30 -126.33 1.33 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.9 m-70 -148.17 169.35 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.8 102.74 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.5 t80 -110.5 103.95 12.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.11 113.03 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.599 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.56 118.4 34.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.1 p -117.4 95.36 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.43 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 5.2 t70 -140.81 -175.73 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.4 t -81.86 -3.25 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -171.89 45.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.43 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.4 mm-40 -92.48 170.36 9.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.454 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 5.4 tp -121.41 113.58 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -85.34 125.02 32.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.504 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 0.4 OUTLIER -115.63 145.65 42.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.37 130.47 50.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.53 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 102.2 47.68 1.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -111.48 167.16 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.4 m -119.57 123.26 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.504 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 39.6 t -135.46 146.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.56 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -105.19 132.58 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.489 HG23 ' CE1' ' A' ' 412' ' ' PHE . 54.4 t -82.25 118.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.02 152.62 79.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.75 -172.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.422 ' OE1' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.7 -25.9 37.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -169.72 147.95 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.42 20.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.95 -15.19 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -99.23 -7.98 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.55 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.88 151.86 20.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -103.43 173.41 6.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -84.26 110.24 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 99.58 2.73 56.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -134.29 137.07 43.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 452' ' ' LEU . 0.0 OUTLIER -128.99 171.55 12.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.18 116.15 27.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.456 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -141.36 163.83 26.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.529 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 13.6 p -127.81 145.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 11.2 mtmt -70.66 164.41 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.433 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.0 tt0 -62.82 -42.06 99.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -43.21 96.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.529 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 62.2 m-20 -59.83 -34.15 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.56 ' CE3' HD11 ' A' ' 437' ' ' LEU . 6.3 t90 -53.44 -43.59 68.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.464 ' ND2' ' N ' ' A' ' 461' ' ' ASN . 0.9 OUTLIER -53.68 -27.28 26.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -97.94 18.46 15.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -45.13 -23.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.566 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.62 -30.44 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.99 39.14 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -30.36 53.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.414 ' HG2' ' NH2' ' A' ' 470' ' ' ARG . 1.7 mt-10 -54.95 -18.25 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.5 7.82 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.26 -13.74 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 442' ' ' GLN . 0.8 OUTLIER -52.68 136.92 32.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -152.83 -179.47 28.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -126.97 151.35 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -159.71 148.74 14.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -36.41 80.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -12.88 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -101.87 2.14 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.558 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.55 -179.79 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 7.8 tt0 -132.1 151.91 51.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.8 mtt180 -84.87 135.43 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.413 HG23 ' NZ ' ' A' ' 413' ' ' LYS . 86.1 t -105.88 117.29 58.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.521 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -92.04 -176.27 4.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -123.99 -40.53 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.85 154.15 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.86 160.63 43.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 134.79 18.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.93 27.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.07 -22.42 22.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 14.6 t80 -36.87 149.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -109.59 -69.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.3 p90 -161.1 -179.81 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.407 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.4 OUTLIER -99.48 147.45 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.486 ' CG1' HG21 ' A' ' 438' ' ' VAL . 2.7 m -127.44 167.23 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.0 tp60 -132.65 118.98 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.18 150.05 49.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 10.2 mt-30 -120.83 -0.88 10.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.5 169.58 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -107.54 98.43 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.581 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.7 t80 -106.35 104.05 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.78 113.15 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.581 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -113.23 117.76 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.98 95.06 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -141.14 -175.49 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -84.52 -0.02 51.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -172.16 46.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -98.14 170.41 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.434 ' CD1' ' HE3' ' A' ' 456' ' ' LYS . 0.1 OUTLIER -125.6 113.2 17.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -81.63 137.86 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.1 mm? -129.5 141.66 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -120.22 133.58 55.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.9 100.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.02 48.38 1.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.451 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 33.5 t70 -112.26 171.0 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.474 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 3.8 m -119.13 127.82 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 14.7 t -137.42 146.37 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.577 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.41 133.84 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.495 HG21 ' CE1' ' A' ' 412' ' ' PHE . 42.8 t -84.09 121.02 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.468 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.37 152.7 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.34 -174.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.436 ' NE2' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.95 -29.77 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -162.82 147.99 9.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.26 20.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.52 -22.21 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -89.13 -16.42 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -74.84 150.7 39.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -104.19 169.31 8.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 103.64 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.66 0.97 52.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.59 143.33 50.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -134.24 172.43 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.8 OUTLIER -89.4 117.73 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.468 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -137.26 173.49 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.55 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 9.4 p -133.96 144.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.2 mtmp? -77.97 158.93 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.474 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 3.0 tt0 -58.11 -39.26 78.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -35.78 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.55 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 76.2 m-20 -65.56 -33.66 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.577 ' CE3' HD12 ' A' ' 437' ' ' LEU . 4.3 t90 -52.45 -47.44 66.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -56.86 -25.59 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' A' ' 464' ' ' LYS . 49.8 mm-40 -94.63 17.38 13.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 1.6 t60 -45.55 -23.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -58.58 -30.63 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . 0.456 ' CG ' ' HG3' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -148.81 52.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 3.2 pp -68.55 -30.52 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.49 -17.32 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . 0.456 ' HG3' ' CG ' ' A' ' 465' ' ' LYS . 4.1 mmmt -108.42 7.72 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 6.4 m -124.56 4.61 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.436 ' NH2' ' NE2' ' A' ' 442' ' ' GLN . 2.7 mtm180 -61.94 150.78 36.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.413 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -163.78 178.1 39.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.427 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.2 t -120.45 153.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.372 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 16.3 p90 -154.69 144.87 15.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.568 1.825 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.22 -36.68 82.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.68 -11.9 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.589 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -104.22 2.14 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.561 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.4 p -131.46 177.92 7.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.422 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 35.4 tt0 -129.0 148.07 50.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.441 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.0 mtm180 -82.43 134.83 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 96.2 t -109.18 115.86 56.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.496 ' CZ ' ' O ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -56.63 173.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.33 -33.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -114.99 149.81 36.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.72 159.18 55.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 135.0 18.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.439 1.757 . . . . 0.0 111.03 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 141.9 27.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.037 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.85 -22.94 19.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.565 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.4 t80 -36.78 152.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.9 mtt -114.15 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.565 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 26.6 p90 -162.94 170.83 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.437 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.3 OUTLIER -90.38 145.47 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.435 ' O ' ' CE ' ' A' ' 413' ' ' LYS . 3.4 m -125.32 165.29 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -131.54 118.82 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.25 150.62 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -120.68 -2.21 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.9 169.39 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -101.79 108.33 19.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.58 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 11.3 t80 -115.09 102.91 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.98 113.94 18.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.58 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 117.84 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.5 p -118.32 93.63 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.436 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 6.1 t0 -142.79 -174.87 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.7 t -91.67 5.32 50.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.49 56.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -120.12 171.92 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.403 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -122.75 122.94 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 6.6 tt0 -89.03 131.33 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.459 ' CD1' HG21 ' A' ' 436' ' ' VAL . 3.6 mm? -120.56 147.19 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -129.1 131.92 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.74 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.64 49.81 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.465 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 25.7 t70 -113.87 170.42 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 457' ' ' GLU . 0.3 OUTLIER -118.97 124.96 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.459 HG21 ' CD1' ' A' ' 430' ' ' LEU . 3.1 t -136.03 139.49 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.588 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -99.16 133.28 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.449 ' CG1' ' CE ' ' A' ' 411' ' ' MET . 6.4 t -83.18 111.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.454 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.0 152.35 59.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.8 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -17.85 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.09 148.39 0.92 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.0 -18.48 18.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -92.68 -7.12 47.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.4 150.94 21.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -102.38 175.01 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.47 108.66 18.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.17 7.87 54.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.7 OUTLIER -138.64 139.49 38.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.96 171.32 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.466 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -89.89 115.59 27.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -134.42 166.39 24.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.526 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 14.5 p -125.37 142.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 1.5 mtmp? -74.22 159.42 32.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.452 ' CB ' HG22 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.48 -39.48 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -38.28 87.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.526 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 82.7 m-20 -64.85 -33.71 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.588 ' CE3' HD13 ' A' ' 437' ' ' LEU . 5.6 t90 -52.78 -46.97 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -54.3 -26.24 28.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.487 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -98.52 18.28 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.33 -22.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.6 tttp -57.41 -30.08 64.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.75 49.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.54 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.69 -18.06 7.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.33 8.25 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.05 5.26 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.248 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.53 150.0 37.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.403 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -163.83 -179.82 38.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.4 151.27 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 15.3 p90 -154.59 145.76 16.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.43 -34.22 76.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -67.47 -9.78 45.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.43 1.56 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.562 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.85 178.59 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.14 151.1 51.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.403 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 6.5 mtm-85 -84.52 137.43 33.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 93.0 t -111.04 116.15 51.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.963 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -68.77 171.87 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.24 -31.26 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -112.02 152.58 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.51 159.14 34.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.78 23.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 130.42 13.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 96.2 -18.99 56.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.584 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 30.5 t80 -36.87 152.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.475 ' CE ' HG13 ' A' ' 438' ' ' VAL . 12.1 mtt -110.23 -72.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.584 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 11.5 p90 -164.03 179.87 6.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.74 145.16 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.4 m -126.38 166.46 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -131.98 119.0 20.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -65.47 147.76 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -119.17 -4.22 10.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.2 m-70 -143.95 169.22 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.33 104.93 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 2.4 t80 -114.49 103.61 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -76.03 113.05 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -113.16 117.97 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 21.6 p -118.1 95.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.441 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 3.9 t0 -140.78 -175.88 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -80.78 -8.84 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -165.32 47.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.3 mm-40 -96.21 170.37 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.474 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -124.38 113.66 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -82.54 135.92 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.483 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.1 mm? -127.18 148.56 50.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.75 132.98 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -40.28 97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.76 47.92 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.433 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 26.9 t0 -110.92 170.33 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.476 HG22 ' CB ' ' A' ' 457' ' ' GLU . 2.5 m -119.77 122.96 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.483 HG23 ' CD1' ' A' ' 430' ' ' LEU . 2.3 t -137.23 149.7 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.534 HD13 ' CD2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.75 133.71 53.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.475 HG13 ' CE ' ' A' ' 411' ' ' MET . 27.5 t -83.38 121.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.47 153.58 80.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.9 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.6 -31.37 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.68 147.76 9.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.35 19.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -15.24 61.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.3 -12.41 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -88.62 151.56 22.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -107.93 158.71 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.45 107.54 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.87 -2.41 30.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -137.77 140.8 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.2 OUTLIER -133.26 172.65 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -86.74 120.17 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.494 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -143.62 160.97 27.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.526 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.6 p -125.88 145.77 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.445 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 1.5 mtmp? -71.66 166.03 22.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.476 ' CB ' HG22 ' A' ' 435' ' ' VAL . 12.2 tt0 -61.76 -41.58 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.408 ' HA ' ' OD1' ' A' ' 461' ' ' ASN . 0.2 OUTLIER -65.77 -43.61 88.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.526 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.2 m-20 -61.39 -33.65 74.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.534 ' CD2' HD13 ' A' ' 437' ' ' LEU . 7.6 t90 -52.98 -33.63 52.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 107.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 461' ' ' ASN . 0.7 OUTLIER -66.12 -24.78 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.448 ' C ' ' N ' ' A' ' 464' ' ' LYS . 17.0 mm-40 -85.64 16.84 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 14.3 t60 -44.88 -23.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.448 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.6 mtmp? -58.05 -30.33 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -155.82 55.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.49 -29.92 67.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.63 -17.88 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.58 8.33 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.0 9.1 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -66.21 155.09 38.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.474 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -160.48 -179.35 35.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -125.82 150.03 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.494 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.6 p90 -154.23 147.65 18.39 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.99 118.39 5.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.54 -34.19 76.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.35 -9.85 45.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -105.79 1.53 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.543 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.53 178.39 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.45 147.37 51.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 132.98 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 81.7 t -102.68 138.84 19.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -80.24 -173.99 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -123.5 -42.52 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.405 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 37.3 m-20 -109.15 155.06 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.34 160.95 53.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.5 Cg_endo -75.01 135.0 18.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.32 26.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.07 -21.99 21.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.583 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.3 t80 -36.56 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.443 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 11.6 mtt -111.79 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.583 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.8 p90 -162.36 173.72 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 140.29 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.3 m -123.95 165.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -133.87 121.75 22.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -66.93 150.08 49.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -120.76 -1.21 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.61 169.35 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.93 105.85 16.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.0 t80 -114.28 105.31 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.35 113.1 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.586 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.09 117.98 33.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.94 95.12 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.402 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.5 t70 -140.72 -175.67 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -82.76 -1.95 53.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -172.26 46.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.402 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.2 mm-40 -95.28 170.38 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.473 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -123.95 113.69 18.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.413 ' C ' ' CD2' ' A' ' 430' ' ' LEU . 3.8 tt0 -81.74 137.45 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.52 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 3.1 mm? -127.6 143.77 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.26 131.54 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.24 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.13 48.01 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -109.79 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.33 121.73 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.52 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 71.0 t -137.14 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.574 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -105.36 133.14 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.443 ' CG1' ' CE ' ' A' ' 411' ' ' MET . 8.7 t -79.69 119.83 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.459 HD11 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.97 153.13 80.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . 0.413 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.74 -176.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -34.01 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -154.08 143.4 15.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.47 18.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.9 -15.64 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.569 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -77.8 149.9 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -108.46 170.46 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -82.55 108.96 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.417 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.88 2.61 56.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -135.04 135.44 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.62 171.16 12.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.4 ttm -88.69 113.77 24.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.511 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -130.97 170.71 21.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.531 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.7 p -133.97 142.08 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.455 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.8 mtmp? -74.75 161.13 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -58.83 -42.74 89.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -40.12 92.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.531 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.4 m-20 -64.77 -32.08 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.574 ' CE3' HD12 ' A' ' 437' ' ' LEU . 3.7 t90 -50.95 -47.71 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -54.08 -25.66 22.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.2 mm-40 -89.88 16.76 7.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 16.3 t60 -45.28 -23.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 7.1 pttt -58.83 -39.8 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -147.56 49.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.4 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 1.9 pt? -70.01 -30.67 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.47 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 7.0 mt-10 -55.51 -17.48 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.89 7.58 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . 0.41 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.5 OUTLIER -130.11 8.6 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.47 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.9 OUTLIER -57.82 155.24 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.473 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -159.26 -179.63 34.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -124.17 150.49 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.511 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.7 p90 -154.33 147.52 18.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.04 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -32.54 73.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.91 -8.81 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.568 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -107.07 0.77 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.568 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -126.97 -179.75 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -132.35 149.49 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 8.6 mtm-85 -86.87 136.88 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 482' ' ' PRO . 92.6 t -117.21 141.54 28.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . 0.456 ' HD2' ' CG1' ' A' ' 481' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.578 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -52.04 159.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 -27.01 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -115.37 147.53 40.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 159.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 141.85 27.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.92 30.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 29.6 t80 -36.47 154.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.451 ' HE2' ' CG1' ' A' ' 438' ' ' VAL . 7.6 mtt -116.44 -69.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.554 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 17.0 p90 -163.9 177.15 8.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.481 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.0 OUTLIER -95.93 146.41 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.474 HG13 ' CG2' ' A' ' 438' ' ' VAL . 0.9 OUTLIER -126.79 165.7 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.5 tp60 -129.27 119.66 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.472 ' CB ' HD23 ' A' ' 430' ' ' LEU . . . -67.72 146.18 54.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.21 -3.28 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -146.11 169.39 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.18 101.91 11.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.8 t80 -107.18 103.81 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -77.22 112.8 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.573 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.26 118.24 34.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -117.53 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.423 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.7 t70 -140.67 -175.65 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -81.06 -4.16 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.37 44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.7 170.25 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.434 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 5.6 tp -121.39 114.92 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.428 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 5.4 tt0 -88.3 133.47 34.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 416' ' ' ALA . 0.4 OUTLIER -126.64 151.4 48.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 134.49 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.06 100.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.84 44.26 2.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.453 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 23.5 t70 -110.04 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.481 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 1.1 m -115.23 126.95 72.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.498 ' CG2' ' HG2' ' A' ' 456' ' ' LYS . 12.0 t -137.56 138.7 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -99.28 133.11 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.474 ' CG2' HG13 ' A' ' 414' ' ' VAL . 40.3 t -84.86 111.49 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.471 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -121.78 152.97 59.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.33 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -90.39 -8.07 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.407 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER 179.52 148.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . 0.407 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.92 19.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.72 -28.04 65.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.83 -7.6 58.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.4 tt0 -86.21 148.9 25.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.25 158.99 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.13 107.44 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.52 5.57 53.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.71 143.4 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.23 171.87 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.56 113.69 25.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.471 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -138.15 172.06 23.1 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.54 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 5.2 p -136.71 145.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.498 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 6.3 mtmp? -74.06 163.79 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 435' ' ' VAL . 5.6 tt0 -61.95 -46.48 89.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -38.26 74.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.54 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 54.0 m-20 -66.55 -33.76 76.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.578 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.4 t90 -52.35 -47.33 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -53.72 -26.31 22.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 25.5 mm-40 -92.34 17.69 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 12.2 t60 -44.98 -23.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 31.7 tttt -57.24 -30.05 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -136.63 44.94 2.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -31.18 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.25 -18.15 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.42 8.47 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.66 -17.73 13.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.97 134.01 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -151.57 -179.28 27.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.31 148.89 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.448 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.9 p90 -158.56 149.82 16.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.05 118.01 5.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.58 -33.57 75.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -68.18 -9.14 44.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.607 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -105.84 3.61 28.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -129.24 -179.45 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -132.92 146.57 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.541 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -83.11 134.04 35.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 482' ' ' PRO . 89.3 t -113.61 141.79 26.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 481' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.425 1.75 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.557 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -44.11 165.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 -23.42 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.417 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 27.9 m-20 -115.67 146.38 41.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.98 159.95 36.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.26 17.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.54 30.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.05 -18.04 38.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.6 t80 -36.86 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 11.7 mtt -110.96 -71.86 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.8 p90 -162.38 179.82 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.74 147.77 23.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.68 166.76 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -131.8 124.58 29.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -71.15 150.17 45.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.01 -2.85 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.2 m-70 -144.56 170.03 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 102.56 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -109.87 106.06 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -79.49 113.49 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -108.55 118.12 35.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -115.4 93.42 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -143.52 -174.04 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -90.06 7.95 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 t70 178.11 62.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.2 OUTLIER -115.73 171.6 7.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.417 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 3.2 tp -120.55 113.3 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -83.18 131.74 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.493 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.2 mm? -122.94 140.69 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.06 130.85 53.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.81 101.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 96.42 51.57 1.69 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.1 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.414 ' CG ' ' CE ' ' A' ' 431' ' ' LYS . 7.8 t0 -114.3 171.76 7.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.431 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 2.3 m -119.47 124.45 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 430' ' ' LEU . 8.2 t -136.16 146.25 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.568 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -108.42 131.28 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.468 ' CG1' ' HE3' ' A' ' 411' ' ' MET . 15.2 t -80.91 118.93 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.468 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.21 152.69 79.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.532 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.16 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -29.2 40.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -159.91 143.78 10.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -19.47 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -14.73 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.84 -2.84 43.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.66 152.59 19.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.409 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 12.8 t70 -102.7 168.19 9.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 102.46 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.03 -7.98 29.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -126.73 138.97 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 172.18 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -89.82 115.77 27.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.468 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -137.66 171.77 23.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 459' ' ' ASP . 7.3 p -133.27 145.36 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.1 OUTLIER -80.53 162.01 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.431 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 7.4 tt0 -58.48 -35.54 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -47.22 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.473 ' CB ' HG22 ' A' ' 455' ' ' VAL . 39.4 m-20 -60.52 -33.6 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.568 ' CE3' HD12 ' A' ' 437' ' ' LEU . 5.4 t90 -53.34 -47.04 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -53.79 -26.19 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 44.3 mm-40 -96.14 18.19 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 0.4 OUTLIER -45.57 -23.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.605 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.89 -30.44 65.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -132.2 42.1 3.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -55.9 -30.73 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.75 -22.8 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 7.63 14.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -13.31 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 2.2 mtm180 -55.25 149.27 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.35 -179.81 34.43 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.417 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.14 149.45 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.462 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.5 p90 -156.69 146.56 15.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.69 -33.54 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -68.04 -9.0 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.82 1.96 25.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.517 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.79 179.81 5.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -131.89 144.87 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.493 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.2 mtm180 -79.64 139.61 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 82.8 t -112.71 115.78 48.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.542 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -60.81 168.76 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.58 -16.88 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -115.4 147.8 40.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 159.39 31.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 135.41 19.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 131.21 13.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 98.03 -19.27 55.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.6 t80 -37.07 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.421 ' HE2' ' CG1' ' A' ' 438' ' ' VAL . 10.3 mtt -113.93 -72.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 9.1 p90 -161.47 172.78 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.477 ' HE3' ' CG1' ' A' ' 435' ' ' VAL . 0.1 OUTLIER -92.74 144.25 25.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.434 ' O ' ' CE ' ' A' ' 413' ' ' LYS . 1.0 OUTLIER -124.43 165.86 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.2 tp60 -130.16 118.46 21.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -64.3 150.28 46.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.98 -1.78 9.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.5 m-70 -145.84 169.52 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -107.48 99.12 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -107.14 103.63 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.92 112.5 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.582 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.37 118.12 33.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.1 p -117.48 95.23 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.7 t70 -141.02 -175.54 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.2 t -80.03 -13.29 59.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 3.4 p-10 -161.18 45.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.9 mm-40 -92.19 170.28 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.426 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 3.8 tp -124.26 113.99 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -84.13 133.23 34.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.533 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 3.8 mm? -125.23 137.0 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -117.68 129.77 55.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.42 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.4 48.55 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.423 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 9.8 t0 -113.3 170.21 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.477 ' CG1' ' HE3' ' A' ' 413' ' ' LYS . 0.2 OUTLIER -119.32 124.5 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.533 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 44.1 t -136.26 140.54 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.575 HD12 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -101.38 132.47 46.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.421 ' CG1' ' HE2' ' A' ' 411' ' ' MET . 4.1 t -82.99 113.18 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.467 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -122.15 153.46 61.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -57.05 -172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -9.22 52.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 147.94 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.44 19.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.11 -26.78 64.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -88.04 -4.22 58.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -87.4 150.94 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -107.25 169.44 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.27 97.1 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 476' ' ' ASN . . . 109.42 1.09 31.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -133.09 144.34 49.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.599 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -136.94 172.71 12.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.13 116.7 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.489 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -139.49 164.74 25.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.494 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 14.8 p -127.1 145.74 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.41 ' CG ' HG21 ' A' ' 436' ' ' VAL . 2.6 mtmp? -74.7 164.16 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 460' ' ' TRP . 16.5 tt0 -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -45.33 90.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 28.5 m-20 -59.92 -33.79 72.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.575 ' CE3' HD12 ' A' ' 437' ' ' LEU . 7.2 t90 -52.7 -35.23 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.521 ' ND2' ' N ' ' A' ' 461' ' ' ASN . 0.7 OUTLIER -64.76 -25.54 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 464' ' ' LYS . 6.8 mm-40 -88.43 18.43 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.8 t60 -44.74 -23.37 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 462' ' ' GLN . 12.5 ptpt -57.93 -30.46 65.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.5 52.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 2.9 pp -69.32 -30.63 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -53.34 -28.41 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.04 8.89 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 5.08 9.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -62.88 149.3 44.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -156.4 179.99 31.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.426 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -124.21 152.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 10.3 p90 -158.16 147.53 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 116.3 4.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -67.59 -32.02 72.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 450' ' ' GLY . 3.3 p30 -68.66 -9.6 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.586 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.33 2.03 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.575 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -127.29 178.64 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.69 144.12 51.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.529 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -80.09 134.57 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.416 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 32.9 t -109.63 116.3 54.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.656 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -127.95 142.72 51.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.72 -36.76 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.557 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 8.7 m-20 -72.59 156.13 39.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.82 158.01 32.95 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.414 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.95 135.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 138.78 23.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.25 -22.08 21.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.444 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.45 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.413 ' HE1' ' CG1' ' A' ' 438' ' ' VAL . 7.8 mtt -117.15 -69.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 111.063 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.561 ' CE1' HG23 ' A' ' 438' ' ' VAL . 26.3 p90 -157.2 -179.91 8.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.69 146.83 27.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.42 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -127.22 164.34 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.3 tp60 -133.25 119.46 19.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.414 ' HA ' ' CG2' ' A' ' 478' ' ' THR . . . -67.7 155.94 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -126.1 0.77 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.22 169.97 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.25 102.11 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.588 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 2.7 t80 -114.57 109.92 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 4.5 m -79.22 113.75 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.588 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.97 116.77 30.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.0 p -119.59 93.61 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -141.56 -175.77 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.9 t -78.33 -14.38 59.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -156.44 42.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 0.0 OUTLIER -92.04 168.19 11.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 7.3 tp -129.02 113.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.38 136.04 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.451 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.3 mm? -128.62 139.5 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -121.23 130.11 53.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.07 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.67 51.06 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 35.1 t70 -113.26 166.13 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 13.7 m -118.79 124.41 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.459 HG21 ' CG ' ' A' ' 456' ' ' LYS . 98.3 t -135.43 148.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.606 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.98 131.69 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 412' ' ' PHE . 9.9 t -80.05 114.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.48 152.33 71.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -86.33 -17.83 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.89 148.67 1.72 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.11 19.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.77 -17.95 61.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 -7.04 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.552 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -93.77 152.97 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 36.1 t0 -107.77 171.36 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.08 105.7 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 106.86 -13.87 41.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -119.72 135.94 54.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.409 ' HA ' ' CG ' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -125.32 170.46 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.61 113.44 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . . . . . . . . . . . -133.99 164.85 24.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.574 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.2 p -125.65 143.54 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.459 ' CG ' HG21 ' A' ' 436' ' ' VAL . 1.3 mtmp? -75.54 161.45 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.464 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 1.8 tt0 -58.48 -40.56 83.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -40.07 96.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.574 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 11.5 m-20 -61.25 -32.99 72.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.606 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 -52.43 -47.84 66.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.034 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -67.92 -24.88 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.428 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.2 mm-40 -85.59 18.08 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.656 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.27 -23.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 462' ' ' GLN . 10.2 mttp -57.36 -30.15 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . 0.46 ' HB3' ' CG ' ' A' ' 468' ' ' LYS . 23.0 mttm -141.89 51.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -30.44 68.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -33.67 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . 0.46 ' CG ' ' HB3' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -104.34 8.65 35.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -110.31 -4.2 15.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 108.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -67.76 151.26 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.36 179.94 40.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.39 157.99 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 18.9 p90 -159.08 152.72 19.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -33.93 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -64.6 -21.39 66.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.569 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -94.52 0.53 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.56 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.21 179.71 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -130.92 150.14 52.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.8 mtt180 -86.09 129.97 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 91.7 t -104.55 115.46 62.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.593 ' CD ' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -87.6 -171.66 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.64 -39.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.545 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 9.7 m-20 -115.36 156.15 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.51 161.05 60.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.458 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.97 135.73 19.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 137.19 21.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.6 -22.66 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.569 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.1 t80 -36.29 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.7 mtt -110.97 -71.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.575 ' CE1' HG21 ' A' ' 438' ' ' VAL . 32.3 p90 -159.84 177.57 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 147.41 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 436' ' ' VAL . 3.5 m -130.5 166.71 27.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.8 tp60 -133.46 121.67 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -68.77 150.05 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -121.96 -3.3 9.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.9 m-70 -143.92 169.41 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -108.21 100.47 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.7 t80 -109.24 104.25 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.4 m -75.73 113.09 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.32 118.26 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -117.61 94.82 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.47 -175.19 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 3.6 p-10 -160.73 41.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -91.33 170.27 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 456' ' ' LYS . 0.1 OUTLIER -127.03 117.19 21.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.445 ' O ' ' NZ ' ' A' ' 456' ' ' LYS . 3.9 tt0 -85.11 137.68 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -129.2 139.76 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -120.15 131.81 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -39.94 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 48.57 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.445 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 39.9 t0 -113.97 167.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.2 m -116.2 122.19 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 414' ' ' VAL . 3.1 t -135.46 141.71 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.587 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -105.57 131.87 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.575 HG21 ' CE1' ' A' ' 412' ' ' PHE . 35.3 t -78.46 120.07 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.488 HD11 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.85 152.61 77.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.17 -175.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -80.99 -21.31 40.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.3 147.98 3.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.74 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.51 -20.47 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -1.27 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -96.85 152.8 18.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.97 170.85 7.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.34 100.17 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 108.93 -0.94 31.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.087 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -128.19 144.69 51.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.475 HD11 ' CE1' ' A' ' 473' ' ' PHE . 0.1 OUTLIER -136.36 172.21 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.419 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -89.53 113.92 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.488 ' CA ' HD11 ' A' ' 439' ' ' ILE . . . -131.14 171.74 20.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.537 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 5.9 p -137.28 142.75 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.0 OUTLIER -75.94 160.4 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -58.72 -41.3 86.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -38.65 86.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.537 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -67.5 -31.51 71.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.593 ' CD1' ' CD ' ' A' ' 403' ' ' ARG . 3.7 t90 -51.16 -47.48 62.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -54.65 -25.72 28.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.469 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -87.8 17.41 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -44.45 -23.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.469 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.2 tttm -58.65 -41.53 86.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.27 43.05 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.404 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 1.2 pt? -70.06 -29.95 67.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.41 -24.46 19.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.98 4.82 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -60.17 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.424 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -156.76 -179.1 31.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.7 t -121.23 153.55 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.475 ' CE1' HD11 ' A' ' 452' ' ' LEU . 12.4 p90 -160.37 150.76 15.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.5 tt0 -67.58 -33.97 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -10.65 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.572 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -103.97 1.47 31.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.476 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -127.84 -179.93 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -128.18 147.64 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -84.29 134.45 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 482' ' ' PRO . 92.6 t -116.13 133.51 22.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.493 ' NE ' ' N ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -52.35 -177.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.06 -39.13 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 20.9 m-20 -114.49 154.05 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.67 160.71 58.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.53 19.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 139.35 24.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.32 -22.35 27.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.103 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.578 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 35.2 t80 -36.82 152.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.416 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 7.9 mtt -113.22 -65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.578 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 34.3 p90 -164.0 177.05 8.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.493 ' NZ ' ' CD2' ' A' ' 437' ' ' LEU . 0.1 OUTLIER -96.41 141.86 29.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.447 HG12 ' CG2' ' A' ' 438' ' ' VAL . 1.1 m -130.75 163.02 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -134.04 128.31 34.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.431 ' HB3' ' CE1' ' A' ' 477' ' ' PHE . . . -68.49 148.1 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -117.66 -1.33 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.92 170.84 15.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.593 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.75 104.82 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 1.9 t80 -114.69 103.59 11.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -76.62 113.03 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.29 118.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 72.7 p -117.73 94.87 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.8 t70 -140.85 -175.71 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.4 t -86.12 3.93 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.87 39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.47 170.06 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.427 ' CD1' ' HA3' ' A' ' 471' ' ' GLY . 1.3 tp -122.55 113.76 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.62 135.8 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.493 ' CD1' HG23 ' A' ' 436' ' ' VAL . 4.1 mm? -130.68 147.75 52.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.42 127.93 41.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -31.9 104.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 48.05 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.474 ' OD2' ' CE ' ' A' ' 431' ' ' LYS . 3.7 t0 -110.96 167.66 10.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 6.3 m -119.6 122.36 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 430' ' ' LEU . 78.1 t -135.91 149.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.494 HD13 ' CD2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.447 ' CG2' HG12 ' A' ' 414' ' ' VAL . 40.3 t -79.28 120.69 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.458 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.57 154.14 80.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.57 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -82.96 -31.11 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.77 146.66 11.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.66 19.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.1 OUTLIER -69.34 -24.29 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.5 mt-10 -89.66 -15.38 32.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.584 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.6 tt0 -79.65 149.6 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.52 134.58 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.68 117.85 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.26 57.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -129.29 140.35 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.38 172.07 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.446 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.5 OUTLIER -89.29 113.91 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.571 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -135.78 160.01 24.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.519 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 1.6 p -122.66 144.91 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.482 ' CG ' HG21 ' A' ' 436' ' ' VAL . 1.1 mtmp? -76.81 164.38 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.47 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 2.2 tt0 -58.51 -43.45 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.93 83.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.519 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 79.9 m-20 -68.03 -32.49 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.494 ' CD2' HD13 ' A' ' 437' ' ' LEU . 4.3 t90 -51.06 -47.16 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -56.59 -25.9 53.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.43 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.6 mm-40 -88.97 17.15 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 405' ' ' ASP . 10.0 t60 -45.48 -22.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -58.12 -30.45 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -160.03 50.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -69.9 -30.8 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 mt-10 -55.4 -18.25 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.08 7.6 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.66 10.77 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.488 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.6 mtt180 -55.51 153.72 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 428' ' ' LEU . . . -157.11 -179.45 32.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.52 151.1 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.571 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 7.4 p90 -157.62 149.55 17.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.62 -33.09 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.9 -7.34 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.57 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.1 OUTLIER -105.98 1.59 26.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.472 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.26 -179.84 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.93 153.95 51.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -76.99 138.46 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 70.2 t -116.39 115.91 39.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.661 ' NH2' ' CE1' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -117.37 147.14 42.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 0.794 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.5 pp -100.28 -37.73 8.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.573 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 1.8 m-20 -72.5 156.44 39.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 157.7 34.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 135.14 18.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 138.95 23.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.94 -22.65 17.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.573 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.6 t80 -36.36 151.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -112.37 -71.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.0 p90 -160.57 170.43 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.462 ' CD ' HD23 ' A' ' 437' ' ' LEU . 0.0 OUTLIER -89.05 141.44 28.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 436' ' ' VAL . 4.7 m -122.56 166.03 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -131.43 119.68 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.43 145.56 54.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.01 -4.82 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.0 m-70 -143.93 169.45 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -107.42 104.31 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -112.89 104.0 11.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.52 113.99 14.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -108.62 117.85 35.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.0 p -116.26 93.29 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.49 -174.08 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.405 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 5.8 t -91.12 9.34 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 425' ' ' THR . 6.1 m-20 178.6 61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -117.42 171.65 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.478 ' CD1' ' HD3' ' A' ' 456' ' ' LYS . 0.2 OUTLIER -123.21 113.33 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -80.0 137.53 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.516 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.5 mm? -129.14 137.69 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -119.02 131.47 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.44 101.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 49.44 1.97 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -114.41 171.26 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 1.5 m -119.28 124.53 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.516 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 4.2 t -137.24 140.03 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.66 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -100.57 132.46 45.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.449 HG22 ' CE1' ' A' ' 412' ' ' PHE . 6.9 t -81.68 110.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.475 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -118.12 153.39 51.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.38 -172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -81.08 -32.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.09 146.85 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.97 19.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -27.14 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.19 -15.63 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.1 tt0 -77.65 147.64 35.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -109.97 138.72 45.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 112.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.64 -13.14 38.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.569 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.02 135.72 48.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.477 ' CD1' ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -128.66 172.71 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.7 ttm -89.79 113.77 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.475 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -132.33 166.17 23.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.567 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.6 p -128.8 145.14 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.1 OUTLIER -77.1 160.41 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -59.58 -38.07 80.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -40.98 94.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.567 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 6.9 m-20 -61.12 -32.22 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.66 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.6 t90 -51.64 -47.82 63.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -67.52 -25.04 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.464 ' C ' ' N ' ' A' ' 464' ' ' LYS . 58.0 mm-40 -85.99 18.31 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.661 ' CE1' ' NH2' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -44.86 -23.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.464 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.4 tttp -57.21 -30.23 64.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.14 45.58 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -32.79 73.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.28 -18.18 65.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -112.92 7.44 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -113.74 -9.42 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -59.55 151.83 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.457 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -168.29 179.68 41.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.5 t -124.13 152.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.477 ' CE1' ' CD1' ' A' ' 452' ' ' LEU . 9.4 p90 -157.84 151.33 19.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.35 4.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -35.18 78.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -11.66 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.581 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -102.39 1.63 35.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.574 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -128.61 -179.63 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -129.05 148.2 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.1 mtm180 -84.67 130.34 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 60.7 t -111.59 115.8 51.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.478 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -53.04 167.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.34 -24.82 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.428 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 62.9 m-20 -113.23 148.38 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.2 160.01 38.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 135.01 18.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 139.87 24.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.67 -22.12 22.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.5 t80 -36.63 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.472 ' CE ' HG13 ' A' ' 438' ' ' VAL . 11.3 mtt -109.49 -71.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.9 p90 -159.2 178.98 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.421 ' CE ' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -98.56 143.4 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.3 m -132.46 157.52 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -123.97 127.54 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -69.95 139.36 52.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -109.67 -5.49 15.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.506 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 84.2 m-70 -141.6 169.58 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.566 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 3.3 p-10 -103.7 106.89 17.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 8.0 t80 -114.31 102.68 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.69 113.72 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.62 117.93 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.0 p -118.85 93.32 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.438 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 1.1 t70 -143.1 -174.9 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.2 t -94.08 7.68 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 30.7 m-20 -173.6 52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.438 ' HB3' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -119.2 171.92 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.65 120.52 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -84.92 140.52 31.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.519 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.4 mm? -130.41 147.83 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.72 131.37 46.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.4 100.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 97.42 49.56 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.466 ' OD2' ' CD ' ' A' ' 456' ' ' LYS . 25.7 t0 -112.27 170.86 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.421 HG12 ' CE ' ' A' ' 413' ' ' LYS . 2.9 t -115.19 123.47 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.519 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 2.9 t -137.52 143.82 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.536 HD11 ' CD2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -111.37 131.45 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.512 HG21 ' CE2' ' A' ' 412' ' ' PHE . 46.1 t -78.39 121.0 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -130.19 153.27 81.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . 0.418 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.4 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 470' ' ' ARG . 8.0 pt20 -81.66 -28.59 33.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.87 148.13 5.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.28 19.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -14.92 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.5 -14.64 19.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -89.36 150.91 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.07 174.17 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 115.43 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.16 -4.24 57.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.8 OUTLIER -133.08 137.8 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.529 HD11 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -132.71 172.63 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.467 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -88.11 113.58 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -133.42 166.31 23.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.555 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 4.7 p -129.97 145.64 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.466 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 11.1 mtmt -79.68 163.33 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.94 -44.8 87.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 t -57.08 -39.34 74.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.052 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.555 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 97.4 m-20 -69.22 -34.86 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.536 ' CD2' HD11 ' A' ' 437' ' ' LEU . 6.8 t90 -53.85 -39.7 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.55 -25.68 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' C ' ' N ' ' A' ' 464' ' ' LYS . 31.8 mm-40 -91.37 18.75 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.428 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 10.3 t60 -44.29 -23.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.474 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.8 mttp -57.33 -29.56 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -159.95 51.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.47 -30.68 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 19.3 mt-10 -55.63 -17.25 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.81 7.94 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 9.2 p -131.79 9.63 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.472 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 6.3 mtm180 -55.88 147.75 18.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -159.05 -178.89 33.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.62 156.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 0.804 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.574 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.5 p90 -160.73 148.7 12.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.0 OUTLIER -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -67.77 -9.47 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.568 ' CD1' HG22 ' A' ' 478' ' ' THR . 0.0 OUTLIER -104.82 1.1 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.568 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -125.98 176.43 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 415' ' ' GLN . 0.4 OUTLIER -122.55 139.01 54.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.468 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 9.7 mtm-85 -79.37 129.78 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 482' ' ' PRO . 14.1 t -114.76 140.55 25.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.499 ' NE ' ' NE1' ' A' ' 460' ' ' TRP . 0.4 OUTLIER -104.65 -170.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.741 . . . . 0.0 110.26 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -126.32 -43.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.577 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 71.7 m-20 -115.84 155.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.6 160.61 58.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 136.88 20.99 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 139.89 24.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 89.39 -23.07 20.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 26.5 t80 -36.42 148.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.462 ' CE ' HG11 ' A' ' 438' ' ' VAL . 10.7 mtt -112.06 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.5 p90 -166.31 175.71 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.437 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.1 OUTLIER -97.18 146.22 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.0 m -129.42 162.44 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 11.5 tp60 -127.68 121.84 31.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -67.7 147.99 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -120.11 -1.48 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.4 m-70 -144.99 169.96 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 10.6 p-10 -110.74 101.68 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.64 109.44 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.15 113.97 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.59 116.62 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 34.8 p -119.94 93.84 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.9 t0 -141.56 -176.49 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.8 t -75.59 -15.56 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -157.0 44.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.49 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 0.0 OUTLIER -91.83 167.2 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 454' ' ' GLY . 4.3 tp -127.02 113.28 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.03 132.07 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.479 ' CD1' HG21 ' A' ' 436' ' ' VAL . 2.2 mm? -125.21 142.69 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -124.73 128.2 48.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.67 102.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.93 49.83 1.87 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.447 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 4.4 t70 -113.13 169.17 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 2.4 m -120.11 120.79 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.482 ' CG2' ' HG2' ' A' ' 456' ' ' LYS . 25.0 t -134.49 148.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.559 HD12 ' CG ' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -112.26 133.3 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.469 HG23 ' CE1' ' A' ' 412' ' ' PHE . 52.0 t -79.3 119.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.456 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.03 153.35 78.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . 0.456 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.04 117.28 4.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.71 -173.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -24.18 31.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.8 146.99 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.74 19.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -18.26 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.46 -13.84 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.31 153.07 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.444 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 32.4 t0 -110.13 166.52 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.06 106.69 11.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 115.43 -23.04 11.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -118.21 133.71 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.91 170.43 10.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -87.51 113.41 23.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.469 ' O ' ' CD2' ' A' ' 428' ' ' LEU . . . -134.38 163.58 24.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.542 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 6.6 p -127.45 143.66 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.482 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 7.3 mtmp? -74.83 164.09 26.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.79 -41.19 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -45.1 96.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.542 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 49.0 m-20 -68.4 -34.69 76.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.559 ' CG ' HD12 ' A' ' 437' ' ' LEU . 6.2 t90 -53.7 -48.58 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.2 -24.31 26.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 68.5 mm-40 -88.52 19.35 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -43.91 -23.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 17.6 tttt -58.01 -30.83 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.6 42.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.43 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 1.1 pt? -69.91 -29.19 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.446 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.6 mt-10 -54.67 -18.02 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 7.59 45.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -130.92 9.19 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.446 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.9 mtt180 -54.9 151.43 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -157.93 179.47 33.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.74 160.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 15.3 p90 -163.66 154.46 13.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.25 -30.57 70.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -6.84 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.58 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -106.8 1.92 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.497 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.98 179.9 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -126.6 142.61 51.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -81.91 129.56 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.61 117.35 57.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -67.4 -170.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.5 pt? -127.15 -41.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.407 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 33.7 m-20 -115.15 155.51 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.81 160.62 60.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.39 17.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 144.86 30.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.03 -24.73 10.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.478 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.2 t80 -36.24 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -107.24 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.569 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 34.9 p90 -157.01 176.9 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.3 148.05 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.41 ' CG1' HG22 ' A' ' 438' ' ' VAL . 2.2 m -136.46 157.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 479' ' ' GLU . 0.2 OUTLIER -125.84 129.43 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -71.89 141.61 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -111.76 -2.36 15.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 87.4 m-70 -145.51 169.61 18.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.74 102.43 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.586 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 2.5 t80 -111.93 103.53 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.0 m -76.33 113.05 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.586 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -113.12 118.09 33.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.3 p -117.91 95.26 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.0 t0 -140.77 -175.69 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.5 t -85.0 -0.79 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -169.97 41.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.0 mm-40 -94.05 170.5 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.63 113.63 16.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.489 ' O ' ' CD ' ' A' ' 456' ' ' LYS . 4.5 tt0 -81.62 140.47 34.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.544 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.18 154.48 47.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -131.41 131.64 43.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.79 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 45.22 1.79 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -108.96 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 3.8 t -112.47 128.32 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.544 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 2.5 t -138.0 148.3 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.657 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -118.01 125.48 50.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.568 HG22 ' CE2' ' A' ' 412' ' ' PHE . 54.0 t -76.82 119.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.74 153.25 77.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.3 OUTLIER -84.99 -29.91 24.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.41 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -160.36 147.5 12.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.45 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.98 -27.55 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.44 -14.26 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -81.37 150.51 28.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -114.9 155.0 27.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.63 110.47 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 106.08 -4.13 38.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -138.73 138.71 37.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.86 171.99 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' MET . . . . . 0.404 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -87.27 114.48 23.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.568 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -133.51 175.15 20.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.51 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 10.7 p -137.4 143.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.489 ' CD ' ' O ' ' A' ' 429' ' ' GLN . 0.0 OUTLIER -81.02 163.06 23.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -58.56 -38.79 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -46.5 86.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.51 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.6 m-20 -60.04 -32.8 71.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.657 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.0 t90 -52.11 -48.07 64.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -57.99 -25.84 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 57.5 mm-40 -89.63 16.91 7.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -23.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -57.91 -30.08 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.69 54.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.468 ' CD1' ' HD3' ' A' ' 470' ' ' ARG . 0.3 OUTLIER -66.87 -31.41 71.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.22 -17.68 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -113.98 8.32 17.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 0.39 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.468 ' HD3' ' CD1' ' A' ' 466' ' ' LEU . 9.8 mtm180 -67.36 151.7 46.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -163.39 -178.85 37.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.67 150.01 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 11.4 p90 -154.11 146.78 17.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -7.48 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.575 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -108.19 0.83 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.552 HG21 ' CD1' ' A' ' 477' ' ' PHE . 1.5 p -126.6 179.18 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 415' ' ' GLN . 0.5 OUTLIER -126.9 142.63 51.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtm180 -81.32 137.42 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 44.7 t -125.14 115.84 25.88 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . 0.413 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -73.45 -178.72 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.65 -38.35 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.567 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 7.4 m-20 -104.21 155.48 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.11 161.05 36.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.415 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo -75.06 134.46 17.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 141.54 26.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.812 . . . . 0.0 110.995 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.47 -24.53 11.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.5 t80 -36.36 146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.1 mtt -107.06 -66.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.0 p90 -159.16 -179.92 8.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.47 ' CE ' HG13 ' A' ' 435' ' ' VAL . 0.7 OUTLIER -99.96 147.65 25.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.5 ' CB ' ' HA ' ' A' ' 480' ' ' ARG . 2.5 m -137.84 164.72 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -134.1 136.06 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.478 ' HA ' ' CG2' ' A' ' 478' ' ' THR . . . -79.12 152.12 30.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -118.67 -0.39 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.6 m-70 -146.79 169.35 19.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.4 OUTLIER -106.28 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -108.26 106.82 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.02 113.7 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.601 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.66 116.79 30.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.2 p -118.55 93.87 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.45 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 4.4 t70 -142.5 -175.42 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.2 t -87.62 3.43 47.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -169.89 37.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -92.79 170.23 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 456' ' ' LYS . 0.1 OUTLIER -130.18 113.68 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -78.77 139.58 38.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.546 ' CD1' ' CG2' ' A' ' 436' ' ' VAL . 4.3 mm? -130.85 147.11 52.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.482 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -127.38 133.26 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.59 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.45 45.79 2.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.482 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 4.4 t70 -107.56 167.36 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.47 HG13 ' CE ' ' A' ' 413' ' ' LYS . 10.7 t -111.38 125.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 430' ' ' LEU . 2.4 t -137.46 139.89 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.585 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -109.41 126.17 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.526 HG21 ' CE1' ' A' ' 412' ' ' PHE . 39.0 t -74.61 118.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.459 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.09 152.91 76.48 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.46 -175.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -81.52 -30.61 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.75 147.38 11.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.75 19.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.4 OUTLIER -70.83 -23.1 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.9 mm-40 -89.86 -16.15 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.566 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.3 tt0 -82.27 151.27 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.56 175.13 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -89.24 98.33 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 120.09 -23.1 8.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -117.66 135.49 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.48 ' CD1' ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.76 171.98 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.45 113.12 22.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -132.01 167.08 22.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.546 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 14.4 p -128.75 142.29 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.476 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.0 OUTLIER -78.79 162.44 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.76 -38.65 78.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -43.65 98.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.546 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 21.7 m-20 -63.47 -32.76 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.585 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.6 t90 -51.76 -47.6 64.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.413 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 42.8 m-80 -56.2 -25.02 45.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -88.47 17.48 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.567 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 1.0 OUTLIER -44.65 -23.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.592 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.0 ttmt -58.72 -34.81 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -155.28 48.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.03 -30.91 69.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.431 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 7.3 mt-10 -55.75 -17.67 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.29 7.53 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.49 7.98 5.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.431 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.9 mtm180 -55.83 153.41 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.475 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -162.74 178.5 38.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -125.67 161.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.464 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 11.0 p90 -164.04 156.17 14.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.429 1.752 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.48 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 1.4 tt0 -66.98 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -63.57 -30.55 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.597 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -84.24 3.25 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.57 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -134.95 179.6 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -141.43 128.15 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.5 ' HA ' ' CB ' ' A' ' 414' ' ' VAL . 6.0 ptt180 -75.78 140.77 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.83 121.2 53.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.577 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -61.23 -170.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.69 -41.96 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.412 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 12.9 m-20 -115.9 155.21 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.08 160.52 51.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.416 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo -75.03 134.48 17.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 138.98 23.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.31 -20.61 25.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.561 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 23.2 t80 -36.6 154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.459 ' CE ' HG12 ' A' ' 438' ' ' VAL . 12.9 mtt -113.08 -75.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.561 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.8 p90 -160.44 175.4 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 148.38 22.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.418 ' N ' ' O ' ' A' ' 436' ' ' VAL . 2.3 m -131.72 161.73 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.7 tp60 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.458 ' CB ' HD21 ' A' ' 430' ' ' LEU . . . -67.12 136.54 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . 0.437 ' CG ' ' HB2' ' A' ' 479' ' ' GLU . 11.1 mt-30 -108.76 -5.61 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.512 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 85.8 m-70 -144.45 170.56 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.19 103.8 13.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.591 ' HB3' ' CZ ' ' A' ' 477' ' ' PHE . 1.4 t80 -108.57 103.88 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.94 113.05 12.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.27 118.48 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.7 p -117.27 94.93 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.438 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.6 t0 -141.13 -175.38 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -86.83 3.1 46.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 39.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.438 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.19 170.26 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.483 ' CD2' ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.01 113.47 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -84.68 136.11 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.459 HD22 ' CG2' ' A' ' 436' ' ' VAL . 0.3 OUTLIER -129.91 145.53 51.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.472 ' HD2' ' CB ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.46 132.29 53.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.91 106.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.27 41.5 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.472 ' CB ' ' HD2' ' A' ' 431' ' ' LYS . 5.2 t0 -104.57 163.21 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.79 118.06 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.459 ' CG2' HD22 ' A' ' 430' ' ' LEU . 79.1 t -134.56 144.01 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.576 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -106.39 132.8 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.459 HG12 ' CE ' ' A' ' 411' ' ' MET . 42.9 t -78.57 121.47 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.473 HD12 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.45 154.0 80.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . 0.411 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.94 -171.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.54 -20.96 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.64 146.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.69 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.68 -19.09 62.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -94.19 -13.06 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -89.07 151.52 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -110.17 159.84 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 449' ' ' GLU . 4.9 pt-20 -71.96 115.5 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.481 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.38 -0.33 55.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.29 138.88 38.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.491 HD13 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -133.08 172.6 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.0 ttm -88.93 115.53 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.473 ' CA ' HD12 ' A' ' 439' ' ' ILE . . . -131.94 169.54 22.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.56 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.4 p -134.88 144.56 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.433 ' CG ' HG23 ' A' ' 436' ' ' VAL . 2.6 mtmt -75.23 159.87 31.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.52 -40.94 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -36.99 82.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.56 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 60.2 m-20 -67.88 -31.91 72.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.577 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 3.7 t90 -51.1 -47.49 61.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -56.2 -25.57 47.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 19.6 mm-40 -88.25 17.23 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 13.0 t60 -44.95 -23.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.567 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 8.7 tmtt? -58.71 -34.37 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -152.72 50.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -69.56 -29.88 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.454 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 25.7 mt-10 -54.89 -17.84 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.37 7.57 38.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.63 5.83 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . 0.454 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.6 mtm180 -61.7 155.36 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' A' ' 428' ' ' LEU . . . -163.34 178.73 38.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.75 153.53 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.491 ' CE1' HD13 ' A' ' 452' ' ' LEU . 9.2 p90 -161.57 150.82 13.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 116.91 4.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.418 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.62 -34.49 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -66.48 -10.5 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.602 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -103.06 2.91 35.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.567 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -128.63 -179.61 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.437 ' HB2' ' CG ' ' A' ' 417' ' ' GLN . 2.4 tt0 -126.21 148.05 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.482 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.4 mtm180 -88.51 128.94 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.75 115.89 45.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.502 ' CZ ' ' O ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -68.33 -171.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 403' ' ' ARG . 1.2 pt? -123.68 -40.37 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 3.3 m-20 -108.15 155.14 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.25 161.75 51.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.08 17.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.66 30.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.437 1.756 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.84 -22.65 16.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.523 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.4 t80 -36.84 148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.454 ' HE3' ' CG1' ' A' ' 438' ' ' VAL . 10.1 mtt -109.39 -68.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.561 ' CE2' HG23 ' A' ' 438' ' ' VAL . 27.1 p90 -159.25 -179.99 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.425 ' NZ ' HG22 ' A' ' 481' ' ' VAL . 0.9 OUTLIER -101.8 147.53 26.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 436' ' ' VAL . 2.3 m -134.25 156.42 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -121.69 131.11 53.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . . . . . . . . . . . -73.12 137.93 45.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.86 -4.31 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.2 m-70 -142.77 170.32 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.97 104.11 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.551 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.4 t80 -114.77 105.1 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -76.04 114.72 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.551 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -109.88 117.79 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 36.2 p -116.48 93.18 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -143.31 -173.86 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 2.3 t -91.26 7.35 41.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.5 OUTLIER -178.8 61.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.46 ' CD ' ' C ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -118.59 171.75 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.403 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 11.4 tp -122.36 113.16 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . 0.414 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 6.2 tt0 -81.24 130.05 34.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -122.49 142.18 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -123.99 128.57 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -35.09 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 95.07 52.91 1.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.403 ' N ' HE21 ' A' ' 415' ' ' GLN . 23.3 t0 -114.44 177.39 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' A' ' 457' ' ' GLU . 96.9 t -118.51 124.73 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 430' ' ' LEU . 5.1 t -138.4 133.29 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.579 HD11 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -104.7 127.79 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.561 HG23 ' CE2' ' A' ' 412' ' ' PHE . 59.9 t -76.44 120.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.465 ' CD1' ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.34 153.76 80.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.581 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.7 -27.34 27.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.23 147.0 7.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.0 20.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -23.8 62.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.49 -16.35 30.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.581 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -81.61 150.72 27.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -115.31 164.11 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.85 116.03 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 102.39 -15.95 55.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.558 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -127.63 137.24 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . 0.553 HD13 ' CE1' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -131.11 172.69 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.76 113.56 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.465 ' HA2' ' CD1' ' A' ' 439' ' ' ILE . . . -131.5 171.89 21.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.476 ' CG2' ' HB3' ' A' ' 459' ' ' ASP . 7.7 p -130.27 140.24 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 435' ' ' VAL . 19.9 mtmt -79.15 162.0 26.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 435' ' ' VAL . 5.5 tt0 -57.79 -42.14 83.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -45.95 87.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 4.9 m-20 -60.36 -33.26 72.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.579 ' CE3' HD11 ' A' ' 437' ' ' LEU . 4.9 t90 -52.16 -46.3 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -53.47 -26.0 18.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 464' ' ' LYS . 2.1 mp0 -94.45 16.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 405' ' ' ASP . 4.2 t60 -46.42 -21.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.4 ttmm -58.33 -31.97 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.59 55.06 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -70.73 -30.34 66.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.44 -17.8 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -109.48 9.06 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.79 12.45 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 152.71 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -154.41 -179.55 29.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 473' ' ' PHE . 2.9 t -126.59 151.0 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.553 ' CE1' HD13 ' A' ' 452' ' ' LEU . 6.8 p90 -157.33 149.15 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.558 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . 0.414 ' HB2' ' CD1' ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.67 -31.28 71.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -6.96 37.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 418' ' ' HIS . 0.0 OUTLIER -108.45 1.33 21.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.485 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -125.76 179.96 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 415' ' ' GLN . 15.5 tt0 -124.32 135.06 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -78.53 127.4 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.425 HG22 ' NZ ' ' A' ' 413' ' ' LYS . 39.6 t -111.45 115.94 51.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . 0.441 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -104.36 141.83 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . 0.493 ' N ' ' HG3' ' A' ' 403' ' ' ARG . 1.3 pp -90.69 -37.23 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -71.64 156.21 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.62 158.63 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . 0.419 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.93 135.89 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 133.8 17.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 93.15 -21.93 37.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 12.1 t80 -36.66 150.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.456 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.6 mtt -109.61 -71.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 30.0 p90 -158.64 179.77 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.4 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.3 OUTLIER -97.62 151.31 20.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.454 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -133.18 164.61 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.6 tp60 -132.22 118.79 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.419 ' CB ' HD13 ' A' ' 430' ' ' LEU . . . -65.09 150.41 48.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -122.4 -2.75 8.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.2 m-70 -145.48 169.81 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.37 99.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.587 ' CE2' ' HB3' ' A' ' 422' ' ' ALA . 2.5 t80 -106.91 104.49 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 112.8 12.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.587 ' HB3' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 118.46 34.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 17.3 p -117.58 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.19 -175.62 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.0 t -79.9 -13.27 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.29 45.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -92.19 169.98 10.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.411 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 3.7 tp -123.52 114.69 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.65 127.04 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.464 ' CD1' HG21 ' A' ' 436' ' ' VAL . 3.9 mm? -117.14 141.88 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -122.33 128.74 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.04 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.84 49.79 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 23.3 t0 -113.48 167.48 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.78 124.21 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.464 HG21 ' CD1' ' A' ' 430' ' ' LEU . 46.5 t -136.73 150.37 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.558 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -112.18 130.54 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.518 HG23 ' CE1' ' A' ' 412' ' ' PHE . 55.7 t -78.37 122.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.479 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.96 153.56 78.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.65 -172.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.7 OUTLIER -82.36 -29.73 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -162.6 146.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.18 19.87 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.92 -27.08 64.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.77 -13.14 46.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.19 148.23 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -111.45 148.31 33.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.7 109.21 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.45 -4.81 31.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -138.32 142.87 39.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.45 172.1 13.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -89.12 115.65 26.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.479 ' CA ' HD13 ' A' ' 439' ' ' ILE . . . -132.89 174.71 20.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.495 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 7.7 p -137.36 143.49 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.451 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.0 OUTLIER -78.06 161.51 27.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -45.38 88.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.495 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.9 m-20 -59.4 -33.0 70.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.558 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -52.74 -48.18 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . 0.441 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 61.1 m-80 -67.03 -24.04 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 16.6 mm-40 -85.21 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.589 ' CD2' ' HD3' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.6 -23.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.6 -29.97 62.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 43.47 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.39 69.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -61.84 -18.43 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.76 7.42 14.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.37 -17.68 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -52.88 139.47 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -155.02 -179.61 30.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.411 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.96 147.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.445 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 14.5 p90 -154.24 146.51 17.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -67.73 -31.08 70.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -70.6 -6.94 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.583 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -110.52 1.49 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -128.05 -179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.27 144.23 51.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -83.24 129.9 35.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . 0.407 HG22 ' N ' ' A' ' 415' ' ' GLN . 66.5 t -111.08 115.86 52.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' ARG . . . . . 0.662 ' NH2' ' CE1' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -136.29 142.94 43.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.68 -35.78 10.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' ASP . . . . . 0.547 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 11.6 m-20 -73.46 155.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 158.36 32.06 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 135.23 18.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.28 22.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.58 -22.5 24.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.4 t80 -36.01 153.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' MET . . . . . 0.404 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.0 mtt -113.99 -70.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' PHE . . . . . 0.592 ' CE1' HG22 ' A' ' 438' ' ' VAL . 7.2 p90 -159.46 176.63 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' LYS . . . . . 0.447 ' CE ' ' O ' ' A' ' 414' ' ' VAL . 0.2 OUTLIER -94.94 150.21 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 436' ' ' VAL . 4.9 m -132.49 166.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 15.7 tp60 -132.79 124.77 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' ALA . . . . . 0.475 ' CB ' HD21 ' A' ' 430' ' ' LEU . . . -71.29 144.94 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -115.79 -2.67 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' HIS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.4 m-70 -148.06 169.43 19.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -104.67 103.25 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' TYR . . . . . 0.578 ' CE2' ' HB1' ' A' ' 422' ' ' ALA . 1.5 t80 -108.78 103.64 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.31 112.92 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' ALA . . . . . 0.578 ' HB1' ' CE2' ' A' ' 420' ' ' TYR . . . -112.96 118.04 33.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.5 p -117.47 95.15 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 8.9 t0 -140.77 -175.52 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 5.1 t -83.11 0.21 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -174.61 43.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLU . . . . . 0.404 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.99 170.34 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LEU . . . . . 0.43 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 9.4 tp -121.61 114.79 21.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.65 132.42 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' LEU . . . . . 0.475 HD21 ' CB ' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -125.56 152.07 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.9 134.78 48.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.95 98.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.49 49.37 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' ASP . . . . . 0.455 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 25.6 t70 -112.43 168.77 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' VAL . . . . . 0.465 ' CG2' ' HB2' ' A' ' 457' ' ' GLU . 5.3 m -118.76 123.0 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' VAL . . . . . 0.475 HG23 ' CD2' ' A' ' 430' ' ' LEU . 44.0 t -134.22 146.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' LEU . . . . . 0.641 ' CD1' ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -110.34 130.14 55.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' VAL . . . . . 0.592 HG22 ' CE1' ' A' ' 412' ' ' PHE . 47.5 t -77.97 121.62 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ILE . . . . . 0.47 HD13 ' CA ' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.28 153.11 80.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -21.2 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.45 147.86 1.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.368 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -16.55 20.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 -17.43 61.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.72 -10.57 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.14 153.05 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 14.7 t70 -110.87 170.06 8.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -82.72 114.64 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.38 -18.16 36.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -124.56 143.09 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.32 172.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.61 114.07 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLY . . . . . 0.497 ' HA3' ' CE1' ' A' ' 473' ' ' PHE . . . -131.66 174.23 20.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . 0.538 ' CG2' ' CB ' ' A' ' 459' ' ' ASP . 12.4 p -134.96 142.94 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' LYS . . . . . 0.46 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.0 OUTLIER -79.1 160.18 27.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' GLU . . . . . 0.465 ' HB2' ' CG2' ' A' ' 435' ' ' VAL . 3.6 tt0 -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -43.46 90.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ASP . . . . . 0.538 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 22.4 m-20 -59.92 -32.96 71.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' TRP . . . . . 0.641 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.81 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -67.51 -25.02 65.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' A' ' 464' ' ' LYS . 1.1 mp0 -86.56 19.35 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.662 ' CE1' ' NH2' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.37 -24.0 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.556 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.9 ttmt -56.95 -30.46 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -138.86 50.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -32.63 73.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -64.34 -21.9 66.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.45 7.41 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.54 -10.56 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 148.41 25.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.13 -179.91 35.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' VAL . . . . . 0.43 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -123.73 149.97 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' PHE . . . . . 0.497 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.1 p90 -154.05 147.13 17.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.02 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -67.12 -30.09 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.26 -6.82 42.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.577 ' O ' ' CG ' ' A' ' 477' ' ' PHE . 0.0 OUTLIER -110.03 2.24 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' THR . . . . . 0.548 HG22 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.14 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 153.46 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 0.8 OUTLIER -89.7 139.17 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 99.4 t -106.36 129.59 24.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 141.2 26.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.07 35.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.5 t80 -36.99 151.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 438' ' ' VAL . 11.9 mtt -110.66 -72.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.4 p90 -162.96 178.15 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.6 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -94.52 143.53 26.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -124.77 166.03 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.86 119.08 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.1 156.12 34.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -126.33 1.33 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.9 m-70 -148.17 169.35 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.8 102.74 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.916 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -110.5 103.95 12.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.11 113.03 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.916 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.56 118.4 34.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.1 p -117.4 95.36 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.431 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 5.2 t70 -140.81 -175.73 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.4 t -81.86 -3.25 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -171.89 45.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.455 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.4 mm-40 -92.48 170.36 9.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.577 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.4 tp -121.41 113.58 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -85.34 125.02 32.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 0.4 OUTLIER -115.63 145.65 42.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.37 130.47 50.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.53 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 102.2 47.68 1.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.424 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.9 t0 -111.48 167.16 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 413' ' ' LYS . 2.4 m -119.57 123.26 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 39.6 t -135.46 146.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.19 132.58 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.664 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.4 t -82.25 118.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.703 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.02 152.62 79.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.75 -172.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 443' ' ' ASN . 0.0 OUTLIER -80.7 -25.9 37.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 443' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 442' ' ' GLN . 1.0 OUTLIER -169.72 147.95 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.42 20.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.95 -15.19 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -99.23 -7.98 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.55 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.88 151.86 20.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -103.43 173.41 6.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -84.26 110.24 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.58 2.73 56.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.909 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -134.29 137.07 43.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.99 171.55 12.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.18 116.15 27.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.703 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -141.36 163.83 26.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 459' ' ' ASP . 13.6 p -127.81 145.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.646 ' HG3' HG22 ' A' ' 436' ' ' VAL . 11.2 mtmt -70.66 164.41 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.514 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.0 tt0 -62.82 -42.06 99.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -43.21 96.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.749 ' HB2' HG22 ' A' ' 455' ' ' VAL . 62.2 m-20 -59.83 -34.15 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.3 t90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 442' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -152.83 -179.47 28.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -126.97 151.35 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -159.71 148.74 14.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -36.41 80.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -64.04 -12.88 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -101.87 2.14 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.55 -179.79 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -132.1 151.91 51.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.8 mtt180 -84.87 135.43 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.6 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 86.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.93 27.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.07 -22.42 22.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 14.6 t80 -36.87 149.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -109.59 -69.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.3 p90 -161.1 -179.81 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.559 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -99.48 147.45 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.7 m -127.44 167.23 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -132.65 118.98 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.699 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.18 150.05 49.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.83 -0.88 10.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.5 169.58 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -107.54 98.43 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.88 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -106.35 104.05 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.78 113.15 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.88 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.23 117.76 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.98 95.06 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -141.14 -175.49 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -84.52 -0.02 51.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -172.16 46.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.452 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -98.14 170.41 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.579 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -125.6 113.2 17.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.566 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.1 tt0 -81.63 137.86 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.037 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.1 mm? -129.5 141.66 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -120.22 133.58 55.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.9 100.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.02 48.38 1.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.463 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.5 t70 -112.26 171.0 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 457' ' ' GLU . 3.8 m -119.13 127.82 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.037 ' CG2' HD11 ' A' ' 430' ' ' LEU . 14.7 t -137.42 146.37 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.607 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.41 133.84 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.543 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.8 t -84.09 121.02 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.801 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.37 152.7 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.34 -174.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -80.95 -29.77 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -162.82 147.99 9.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.26 20.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.52 -22.21 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -89.13 -16.42 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -74.84 150.7 39.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -104.19 169.31 8.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 103.64 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.66 0.97 52.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.59 143.33 50.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -134.24 172.43 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.411 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.8 OUTLIER -89.4 117.73 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.801 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.26 173.49 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.4 p -133.96 144.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.2 mtmp? -77.97 158.93 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.627 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.0 tt0 -58.11 -39.26 78.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -35.78 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.848 ' HB2' HG22 ' A' ' 455' ' ' VAL . 76.2 m-20 -65.56 -33.66 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.527 ' HB2' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.78 178.1 39.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.427 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.2 t -120.45 153.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.372 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 16.3 p90 -154.69 144.87 15.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.568 1.825 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.22 -36.68 82.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.68 -11.9 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -104.22 2.14 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.4 p -131.46 177.92 7.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -129.0 148.07 50.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.0 mtm180 -82.43 134.83 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.559 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 96.2 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.02 141.9 27.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.85 -22.94 19.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.4 t80 -36.78 152.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.9 mtt -114.15 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 26.6 p90 -162.94 170.83 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.755 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -90.38 145.47 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.4 m -125.32 165.29 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -131.54 118.82 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.73 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.25 150.62 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -120.68 -2.21 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.9 169.39 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -101.79 108.33 19.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 11.3 t80 -115.09 102.91 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.98 113.94 18.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 117.84 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.5 p -118.32 93.63 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.435 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 6.1 t0 -142.79 -174.87 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.7 t -91.67 5.32 50.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.49 56.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.478 ' HG2' ' CB ' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -120.12 171.92 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -122.75 122.94 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.61 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -89.03 131.33 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.895 HD11 HG21 ' A' ' 436' ' ' VAL . 3.6 mm? -120.56 147.19 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -129.1 131.92 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.74 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.64 49.81 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.535 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t70 -113.87 170.42 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.755 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.3 OUTLIER -118.97 124.96 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 430' ' ' LEU . 3.1 t -136.03 139.49 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.16 133.28 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.526 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.4 t -83.18 111.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.0 152.35 59.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.8 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -17.85 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.09 148.39 0.92 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.48 18.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -92.68 -7.12 47.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.4 150.94 21.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -102.38 175.01 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.47 108.66 18.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.17 7.87 54.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.645 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -138.64 139.49 38.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.96 171.32 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.509 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.6 OUTLIER -89.89 115.59 27.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.42 166.39 24.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.5 p -125.37 142.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 1.5 mtmp? -74.22 159.42 32.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.48 -39.48 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -38.28 87.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.7 m-20 -64.85 -33.71 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.61 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.6 t90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 107.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.509 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -163.83 -179.82 38.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.4 151.27 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 15.3 p90 -154.59 145.76 16.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.43 -34.22 76.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -67.47 -9.78 45.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.913 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.43 1.56 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.913 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.85 178.59 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.14 151.1 51.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 6.5 mtm-85 -84.52 137.43 33.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.629 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 93.0 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 130.42 13.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 96.2 -18.99 56.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 30.5 t80 -36.87 152.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.1 mtt -110.23 -72.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 11.5 p90 -164.03 179.87 6.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -95.74 145.16 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.573 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -126.38 166.46 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.98 119.0 20.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.47 147.76 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -119.17 -4.22 10.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.2 m-70 -143.95 169.22 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.33 104.93 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.849 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.4 t80 -114.49 103.61 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -76.03 113.05 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.849 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.16 117.97 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 21.6 p -118.1 95.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 3.9 t0 -140.78 -175.88 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -80.78 -8.84 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -165.32 47.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.3 mm-40 -96.21 170.37 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -124.38 113.66 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.743 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -82.54 135.92 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.1 mm? -127.18 148.56 50.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.75 132.98 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -40.28 97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.76 47.92 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.569 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.9 t0 -110.92 170.33 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.598 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.5 m -119.77 122.96 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -137.23 149.7 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.75 133.71 53.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.573 HG23 ' CG1' ' A' ' 414' ' ' VAL . 27.5 t -83.38 121.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.711 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.47 153.58 80.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.9 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.6 -31.37 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.68 147.76 9.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.35 19.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -15.24 61.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.3 -12.41 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -88.62 151.56 22.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -107.93 158.71 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.45 107.54 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.87 -2.41 30.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -137.77 140.8 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.26 172.65 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -86.74 120.17 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.711 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -143.62 160.97 27.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.6 p -125.88 145.77 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 436' ' ' VAL . 1.5 mtmp? -71.66 166.03 22.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.598 ' CB ' HG23 ' A' ' 435' ' ' VAL . 12.2 tt0 -61.76 -41.58 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -43.61 88.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.958 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -61.39 -33.65 74.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.607 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.6 t90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 107.99 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.565 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -160.48 -179.35 35.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -125.82 150.03 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.521 ' HZ ' HG22 ' A' ' 438' ' ' VAL . 10.6 p90 -154.23 147.65 18.39 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.99 118.39 5.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.653 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.54 -34.19 76.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -67.35 -9.85 45.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.895 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.79 1.53 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.895 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.53 178.39 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.45 147.37 51.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 132.98 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.443 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 81.7 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.32 26.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.07 -21.99 21.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.3 t80 -36.56 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.443 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 11.6 mtt -111.79 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.8 p90 -162.36 173.72 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 140.29 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.643 HG11 HG23 ' A' ' 438' ' ' VAL . 1.3 m -123.95 165.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.87 121.75 22.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.93 150.08 49.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -120.76 -1.21 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.61 169.35 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.93 105.85 16.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.895 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.28 105.31 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.35 113.1 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.98 33.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.94 95.12 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.5 t70 -140.72 -175.67 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -82.76 -1.95 53.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -172.26 46.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.2 mm-40 -95.28 170.38 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -123.95 113.69 18.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.846 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.8 tt0 -81.74 137.45 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.049 HD11 HG21 ' A' ' 436' ' ' VAL . 3.1 mm? -127.6 143.77 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.26 131.54 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.24 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.13 48.01 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.561 ' OD2' HD13 ' A' ' 430' ' ' LEU . 19.6 t0 -109.79 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.7 m -119.33 121.73 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 430' ' ' LEU . 71.0 t -137.14 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.886 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.36 133.14 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.643 HG23 HG11 ' A' ' 414' ' ' VAL . 8.7 t -79.69 119.83 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.97 153.13 80.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 440' ' ' PRO . . . . . 0.413 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.74 -176.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -34.01 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -154.08 143.4 15.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.47 18.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.9 -15.64 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -77.8 149.9 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -108.46 170.46 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -82.55 108.96 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.88 2.61 56.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -135.04 135.44 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.62 171.16 12.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.4 ttm -88.69 113.77 24.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.97 170.71 21.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.886 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -133.97 142.08 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.496 ' HG3' HG22 ' A' ' 436' ' ' VAL . 2.8 mtmp? -74.75 161.13 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.6 tt0 -58.83 -42.74 89.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -40.12 92.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -64.77 -32.08 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.725 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.596 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -159.26 -179.63 34.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -124.17 150.49 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.512 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.7 p90 -154.33 147.52 18.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.04 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -32.54 73.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -68.91 -8.81 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -107.07 0.77 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -126.97 -179.75 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -132.35 149.49 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 8.6 mtm-85 -86.87 136.88 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.85 27.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.92 30.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 29.6 t80 -36.47 154.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.6 mtt -116.44 -69.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 17.0 p90 -163.9 177.15 8.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.615 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -95.93 146.41 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.753 ' CG1' HG23 ' A' ' 438' ' ' VAL . 0.9 OUTLIER -126.79 165.7 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.437 ' HB2' HG21 ' A' ' 481' ' ' VAL . 1.9 tp-100 -129.27 119.66 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.72 146.18 54.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.21 -3.28 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -146.11 169.39 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.18 101.91 11.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -107.18 103.81 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -77.22 112.8 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.26 118.24 34.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -117.53 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.7 t70 -140.67 -175.65 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -81.06 -4.16 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.37 44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.445 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.1 mm-40 -91.7 170.25 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 454' ' ' GLY . 5.6 tp -121.39 114.92 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.428 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 5.4 tt0 -88.3 133.47 34.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.4 OUTLIER -126.64 151.4 48.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 134.49 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.06 100.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.84 44.26 2.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.56 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.5 t70 -110.04 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.615 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.1 m -115.23 126.95 72.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 430' ' ' LEU . 12.0 t -137.56 138.7 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -99.28 133.11 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.753 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -84.86 111.49 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.705 HD12 HG12 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -121.78 152.97 59.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.33 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -90.39 -8.07 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.52 148.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.92 19.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.72 -28.04 65.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.83 -7.6 58.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.4 tt0 -86.21 148.9 25.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.25 158.99 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.13 107.44 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.52 5.57 53.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.71 143.4 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.23 171.87 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.56 113.69 25.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.698 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.15 172.06 23.1 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.2 p -136.71 145.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.498 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 6.3 mtmp? -74.06 163.79 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 435' ' ' VAL . 5.6 tt0 -61.95 -46.48 89.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -38.26 74.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.0 m-20 -66.55 -33.76 76.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.54 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -151.57 -179.28 27.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.31 148.89 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.449 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.9 p90 -158.56 149.82 16.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.05 118.01 5.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.58 -33.57 75.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.18 -9.14 44.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.84 3.61 28.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -129.24 -179.45 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -132.92 146.57 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -83.11 134.04 35.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 415' ' ' GLN . 89.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 144.54 30.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.05 -18.04 38.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.6 t80 -36.86 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.7 mtt -110.96 -71.86 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.8 p90 -162.38 179.82 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -96.74 147.77 23.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.4 m -130.68 166.76 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -131.8 124.58 29.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.659 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -71.15 150.17 45.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -120.01 -2.85 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.2 m-70 -144.56 170.03 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 102.56 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.825 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -109.87 106.06 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -79.49 113.49 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.825 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.55 118.12 35.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -115.4 93.42 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -143.52 -174.04 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -90.06 7.95 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 t70 178.11 62.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -115.73 171.6 7.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 430' ' ' LEU . 3.2 tp -120.55 113.3 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.477 ' C ' HD22 ' A' ' 430' ' ' LEU . 5.1 tt0 -83.18 131.74 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -122.94 140.69 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.06 130.85 53.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.81 101.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 96.42 51.57 1.69 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.1 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 7.8 t0 -114.3 171.76 7.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.537 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.3 m -119.47 124.45 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 430' ' ' LEU . 8.2 t -136.16 146.25 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.42 131.28 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.458 HG23 ' CG1' ' A' ' 414' ' ' VAL . 15.2 t -80.91 118.93 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.729 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.21 152.69 79.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.16 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.77 -29.2 40.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -159.91 143.78 10.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' PRO . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.3 Cg_endo -75.03 -19.47 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -14.73 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.84 -2.84 43.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.66 152.59 19.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.409 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 12.8 t70 -102.7 168.19 9.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 102.46 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.03 -7.98 29.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.586 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -126.73 138.97 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.48 172.18 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -89.82 115.77 27.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.66 171.77 23.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.3 p -133.27 145.36 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.1 OUTLIER -80.53 162.01 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.537 ' CB ' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -58.48 -35.54 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -47.22 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 455' ' ' VAL . 39.4 m-20 -60.52 -33.6 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.421 ' CE3' HD13 ' A' ' 437' ' ' LEU . 5.4 t90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.413 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -159.35 -179.81 34.43 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.417 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.14 149.45 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.5 p90 -156.69 146.56 15.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.453 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.69 -33.54 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.04 -9.0 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.876 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.82 1.96 25.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.876 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.79 179.81 5.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -131.89 144.87 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.2 mtm180 -79.64 139.61 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.501 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 82.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.04 131.21 13.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 98.03 -19.27 55.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.6 t80 -37.07 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 438' ' ' VAL . 10.3 mtt -113.93 -72.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 9.1 p90 -161.47 172.78 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.869 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -92.74 144.25 25.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -124.43 165.86 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.16 118.46 21.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.74 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -64.3 150.28 46.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.98 -1.78 9.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.5 m-70 -145.84 169.52 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -107.48 99.12 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -107.14 103.63 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.92 112.5 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.37 118.12 33.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.1 p -117.48 95.23 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.7 t70 -141.02 -175.54 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.2 t -80.03 -13.29 59.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 3.4 p-10 -161.18 45.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.9 mm-40 -92.19 170.28 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.8 tp -124.26 113.99 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.705 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -84.13 133.23 34.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.1 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -125.23 137.0 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -117.68 129.77 55.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.42 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.4 48.55 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 9.8 t0 -113.3 170.21 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.869 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.2 OUTLIER -119.32 124.5 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.1 HG21 HD11 ' A' ' 430' ' ' LEU . 44.1 t -136.26 140.54 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.789 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -101.38 132.47 46.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 HG11 ' A' ' 414' ' ' VAL . 4.1 t -82.99 113.18 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.735 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -122.15 153.46 61.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -57.05 -172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -9.22 52.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.01 147.94 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.44 19.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.11 -26.78 64.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -88.04 -4.22 58.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -87.4 150.94 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -107.25 169.44 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.27 97.1 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 109.42 1.09 31.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -133.09 144.34 49.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -136.94 172.71 12.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.13 116.7 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.735 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -139.49 164.74 25.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.789 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.8 p -127.1 145.74 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -74.7 164.16 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 435' ' ' VAL . 16.5 tt0 -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -45.33 90.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 28.5 m-20 -59.92 -33.79 72.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.705 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.2 t90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -156.4 179.99 31.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -124.21 152.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 10.3 p90 -158.16 147.53 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 116.3 4.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.59 -32.02 72.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -68.66 -9.6 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.833 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.33 2.03 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.833 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -127.29 178.64 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.69 144.12 51.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -80.09 134.57 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 32.9 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 138.78 23.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.25 -22.08 21.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.45 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.15 -69.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 26.3 p90 -157.2 -179.91 8.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.504 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.2 OUTLIER -101.69 146.83 27.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.549 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -127.22 164.34 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -133.25 119.46 19.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.846 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 155.94 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -126.1 0.77 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.22 169.97 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.25 102.11 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.7 t80 -114.57 109.92 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 4.5 m -79.22 113.75 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.97 116.77 30.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.0 p -119.59 93.61 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -141.56 -175.77 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.9 t -78.33 -14.38 59.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -156.44 42.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.668 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -92.04 168.19 11.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 454' ' ' GLY . 7.3 tp -129.02 113.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.743 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.38 136.04 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.12 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.62 139.5 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -121.23 130.11 53.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.07 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.67 51.06 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.425 ' OD2' HD13 ' A' ' 430' ' ' LEU . 35.1 t70 -113.26 166.13 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 457' ' ' GLU . 13.7 m -118.79 124.41 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.12 HG21 HD11 ' A' ' 430' ' ' LEU . 98.3 t -135.43 148.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.64 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.98 131.69 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.549 HG23 ' CG1' ' A' ' 414' ' ' VAL . 9.9 t -80.05 114.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.57 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -125.48 152.33 71.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -86.33 -17.83 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.89 148.67 1.72 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.11 19.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.77 -17.95 61.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 -7.04 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.552 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -93.77 152.97 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 36.1 t0 -107.77 171.36 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.08 105.7 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 106.86 -13.87 41.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -119.72 135.94 54.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -125.32 170.46 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.61 113.44 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.57 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.99 164.85 24.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.2 p -125.65 143.54 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.455 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -75.54 161.45 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.638 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.8 tt0 -58.48 -40.56 83.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -40.07 96.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.922 ' HB2' HG22 ' A' ' 455' ' ' VAL . 11.5 m-20 -61.25 -32.99 72.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.64 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.36 179.94 40.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.39 157.99 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 18.9 p90 -159.08 152.72 19.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -33.93 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -64.6 -21.39 66.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.975 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -94.52 0.53 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.975 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.21 179.71 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -130.92 150.14 52.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.8 mtt180 -86.09 129.97 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.504 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 91.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 137.19 21.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.6 -22.66 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.1 t80 -36.29 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.7 mtt -110.97 -71.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.3 p90 -159.84 177.57 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 147.41 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.867 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.5 m -130.5 166.71 27.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.408 ' HB2' HG21 ' A' ' 481' ' ' VAL . 2.5 tp-100 -133.46 121.67 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.77 150.05 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -121.96 -3.3 9.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.9 m-70 -143.92 169.41 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -108.21 100.47 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -109.24 104.25 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.4 m -75.73 113.09 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.32 118.26 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -117.61 94.82 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.47 -175.19 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 3.6 p-10 -160.73 41.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -91.33 170.27 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.704 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.03 117.19 21.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.778 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -85.11 137.68 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.4 mm? -129.2 139.76 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -120.15 131.81 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -39.94 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 48.57 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.9 t0 -113.97 167.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.2 m -116.2 122.19 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.867 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 t -135.46 141.71 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.9 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.57 131.87 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.618 HG23 HG13 ' A' ' 414' ' ' VAL . 35.3 t -78.46 120.07 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.773 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.85 152.61 77.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.17 -175.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -80.99 -21.31 40.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.3 147.98 3.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.74 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.51 -20.47 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -1.27 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.494 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -96.85 152.8 18.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.97 170.85 7.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.34 100.17 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 108.93 -0.94 31.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.087 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -128.19 144.69 51.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -136.36 172.21 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.419 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -89.53 113.92 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.773 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.14 171.74 20.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.9 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.9 p -137.28 142.75 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.663 ' HD3' HD11 ' A' ' 428' ' ' LEU . 0.0 OUTLIER -75.94 160.4 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' A' ' 435' ' ' VAL . 6.9 tt0 -58.72 -41.3 86.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -38.65 86.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.537 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -67.5 -31.51 71.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.808 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.704 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -156.76 -179.1 31.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.7 t -121.23 153.55 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 452' ' ' LEU . 12.4 p90 -160.37 150.76 15.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.886 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.5 tt0 -67.58 -33.97 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.69 -10.65 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.97 1.47 31.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -127.84 -179.93 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -128.18 147.64 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -84.29 134.45 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' A' ' 415' ' ' GLN . 92.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 139.35 24.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.32 -22.35 27.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.103 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 35.2 t80 -36.82 152.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -113.22 -65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 34.3 p90 -164.0 177.05 8.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.627 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.1 OUTLIER -96.41 141.86 29.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.1 m -130.75 163.02 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 481' ' ' VAL . 0.0 OUTLIER -134.04 128.31 34.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.49 148.1 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -117.66 -1.33 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.92 170.84 15.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.593 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.75 104.82 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.889 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.9 t80 -114.69 103.59 11.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -76.62 113.03 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.889 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.29 118.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 72.7 p -117.73 94.87 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.8 t70 -140.85 -175.71 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.4 t -86.12 3.93 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.87 39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.47 170.06 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 430' ' ' LEU . 1.3 tp -122.55 113.76 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.599 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.4 tt0 -84.62 135.8 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' A' ' 436' ' ' VAL . 4.1 mm? -130.68 147.75 52.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.42 127.93 41.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -31.9 104.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 48.05 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.613 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -110.96 167.66 10.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.628 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.3 m -119.6 122.36 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 430' ' ' LEU . 78.1 t -135.91 149.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.627 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -79.28 120.69 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.688 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.57 154.14 80.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.57 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -82.96 -31.11 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.77 146.66 11.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.66 19.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.1 OUTLIER -69.34 -24.29 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.5 mt-10 -89.66 -15.38 32.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.6 tt0 -79.65 149.6 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.52 134.58 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.68 117.85 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.26 57.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -129.29 140.35 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.38 172.07 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.452 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.29 113.91 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.688 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.78 160.01 24.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 459' ' ' ASP . 1.6 p -122.66 144.91 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.484 ' CG ' HG22 ' A' ' 436' ' ' VAL . 1.1 mtmp? -76.81 164.38 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.628 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.2 tt0 -58.51 -43.45 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.93 83.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.955 ' HB2' HG22 ' A' ' 455' ' ' VAL . 79.9 m-20 -68.03 -32.49 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.46 ' CE3' HD22 ' A' ' 437' ' ' LEU . 4.3 t90 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.11 -179.45 32.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.52 151.1 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 7.4 p90 -157.62 149.55 17.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.586 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.62 -33.09 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.9 -7.34 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -105.98 1.59 26.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.802 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.26 -179.84 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.93 153.95 51.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -76.99 138.46 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 415' ' ' GLN . 70.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.02 138.95 23.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.94 -22.65 17.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.6 t80 -36.36 151.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.422 ' SD ' HG12 ' A' ' 438' ' ' VAL . 10.1 mtt -112.37 -71.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.0 p90 -160.57 170.43 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -89.05 141.44 28.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.7 m -122.56 166.03 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 481' ' ' VAL . 2.1 tp-100 -131.43 119.68 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.71 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.43 145.56 54.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.01 -4.82 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.0 m-70 -143.93 169.45 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -107.42 104.31 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.759 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -112.89 104.0 11.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.52 113.99 14.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.759 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.62 117.85 35.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.0 p -116.26 93.29 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.49 -174.08 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' THR . . . . . 0.405 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 5.8 t -91.12 9.34 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 425' ' ' THR . 6.1 m-20 178.6 61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.6 OUTLIER -117.42 171.65 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.731 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -123.21 113.33 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.703 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.0 tt0 -80.0 137.53 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.06 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -129.14 137.69 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -119.02 131.47 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.44 101.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 49.44 1.97 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.563 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 30.5 t0 -114.41 171.26 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.5 m -119.28 124.53 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 430' ' ' LEU . 4.2 t -137.24 140.03 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.828 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -100.57 132.46 45.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 HG11 ' A' ' 414' ' ' VAL . 6.9 t -81.68 110.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.778 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -118.12 153.39 51.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.38 -172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -81.08 -32.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.09 146.85 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.97 19.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -27.14 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.19 -15.63 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.1 tt0 -77.65 147.64 35.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -109.97 138.72 45.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 112.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 107.64 -13.14 38.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.02 135.72 48.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -128.66 172.71 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.7 ttm -89.79 113.77 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.778 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.33 166.17 23.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.828 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.6 p -128.8 145.14 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.1 OUTLIER -77.1 160.41 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.559 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -59.58 -38.07 80.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -40.98 94.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 455' ' ' VAL . 6.9 m-20 -61.12 -32.22 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.76 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.005 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.731 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -168.29 179.68 41.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.5 t -124.13 152.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 452' ' ' LEU . 9.4 p90 -157.84 151.33 19.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.35 4.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.644 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.52 -35.18 78.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -65.09 -11.66 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -102.39 1.63 35.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -128.61 -179.63 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -129.05 148.2 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.1 mtm180 -84.67 130.34 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 415' ' ' GLN . 60.7 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 139.87 24.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.67 -22.12 22.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.5 t80 -36.63 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.468 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.3 mtt -109.49 -71.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.9 p90 -159.2 178.98 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.641 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -98.56 143.4 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 481' ' ' VAL . 1.3 m -132.46 157.52 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.0 OUTLIER -123.97 127.54 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.95 139.36 52.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.67 -5.49 15.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.506 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 84.2 m-70 -141.6 169.58 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.566 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 3.3 p-10 -103.7 106.89 17.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 8.0 t80 -114.31 102.68 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.69 113.72 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.62 117.93 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.0 p -118.85 93.32 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 1.1 t70 -143.1 -174.9 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.2 t -94.08 7.68 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 30.7 m-20 -173.6 52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -119.2 171.92 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.736 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -125.65 120.52 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.67 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -84.92 140.52 31.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.109 HD11 HG21 ' A' ' 436' ' ' VAL . 4.4 mm? -130.41 147.83 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.72 131.37 46.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.4 100.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 97.42 49.56 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.536 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t0 -112.27 170.86 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.641 HG13 ' HE3' ' A' ' 413' ' ' LYS . 2.9 t -115.19 123.47 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.109 HG21 HD11 ' A' ' 430' ' ' LEU . 2.9 t -137.52 143.82 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -111.37 131.45 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 ' CG1' ' A' ' 414' ' ' VAL . 46.1 t -78.39 121.0 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.741 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -130.19 153.27 81.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 440' ' ' PRO . . . . . 0.418 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.4 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 470' ' ' ARG . 8.0 pt20 -81.66 -28.59 33.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -166.87 148.13 5.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.28 19.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -14.92 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.5 -14.64 19.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -89.36 150.91 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.07 174.17 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 115.43 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.16 -4.24 57.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.8 OUTLIER -133.08 137.8 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -132.71 172.63 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.47 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -88.11 113.58 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.42 166.31 23.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.933 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.7 p -129.97 145.64 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.466 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 11.1 mtmt -79.68 163.33 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.94 -44.8 87.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 t -57.08 -39.34 74.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.052 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.933 ' HB2' HG22 ' A' ' 455' ' ' VAL . 97.4 m-20 -69.22 -34.86 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.706 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.8 t90 . . . . . 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' A' ' 442' ' ' GLN . 6.3 mtm180 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.736 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -159.05 -178.89 33.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.62 156.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 0.804 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.598 ' CE1' HD13 ' A' ' 452' ' ' LEU . 8.5 p90 -160.73 148.7 12.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.863 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.0 OUTLIER -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.77 -9.47 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -104.82 1.1 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -125.98 176.43 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 415' ' ' GLN . 0.4 OUTLIER -122.55 139.01 54.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.468 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 9.7 mtm-85 -79.37 129.78 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.608 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 14.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 139.89 24.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 89.39 -23.07 20.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 26.5 t80 -36.42 148.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.7 mtt -112.06 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.616 ' CE1' HG21 ' A' ' 438' ' ' VAL . 25.5 p90 -166.31 175.71 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.1 OUTLIER -97.18 146.22 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.0 m -129.42 162.44 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.4 OUTLIER -127.68 121.84 31.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 147.99 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -120.11 -1.48 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.4 m-70 -144.99 169.96 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 10.6 p-10 -110.74 101.68 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.64 109.44 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.15 113.97 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.59 116.62 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 34.8 p -119.94 93.84 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.9 t0 -141.56 -176.49 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.8 t -75.59 -15.56 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -157.0 44.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.762 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.83 167.2 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.598 HD22 ' O ' ' A' ' 454' ' ' GLY . 4.3 tp -127.02 113.28 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.03 132.07 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.829 HD11 ' CG2' ' A' ' 436' ' ' VAL . 2.2 mm? -125.21 142.69 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -124.73 128.2 48.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.67 102.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.93 49.83 1.87 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.528 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 4.4 t70 -113.13 169.17 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.4 m -120.11 120.79 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.829 ' CG2' HD11 ' A' ' 430' ' ' LEU . 25.0 t -134.49 148.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -112.26 133.3 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.616 HG21 ' CE1' ' A' ' 412' ' ' PHE . 52.0 t -79.3 119.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.03 153.35 78.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 440' ' ' PRO . . . . . 0.456 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.04 117.28 4.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.71 -173.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -24.18 31.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -167.8 146.99 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.74 19.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -18.26 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.46 -13.84 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.31 153.07 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.444 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 32.4 t0 -110.13 166.52 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.06 106.69 11.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 115.43 -23.04 11.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -118.21 133.71 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.91 170.43 10.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -87.51 113.41 23.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.38 163.58 24.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.852 HG22 ' HB2' ' A' ' 459' ' ' ASP . 6.6 p -127.45 143.66 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 436' ' ' VAL . 7.3 mtmp? -74.83 164.09 26.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.463 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.79 -41.19 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -45.1 96.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 455' ' ' VAL . 49.0 m-20 -68.4 -34.69 76.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.897 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.2 t90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.417 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.93 179.47 33.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.74 160.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 15.3 p90 -163.66 154.46 13.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.25 -30.57 70.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -71.84 -6.84 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.904 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.8 1.92 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.904 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.98 179.9 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -126.6 142.61 51.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -81.91 129.56 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 61.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.95 144.86 30.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.03 -24.73 10.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.2 t80 -36.24 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -107.24 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 34.9 p90 -157.01 176.9 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.497 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.6 OUTLIER -96.3 148.05 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -136.46 157.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 479' ' ' GLU . 0.0 OUTLIER -125.84 129.43 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -71.89 141.61 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.76 -2.36 15.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.466 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 87.4 m-70 -145.51 169.61 18.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.74 102.43 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.838 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -111.93 103.53 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.0 m -76.33 113.05 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.838 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.12 118.09 33.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.3 p -117.91 95.26 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.0 t0 -140.77 -175.69 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.5 t -85.0 -0.79 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -169.97 41.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.471 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.0 mm-40 -94.05 170.5 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.5 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.63 113.63 16.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.626 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -81.62 140.47 34.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.066 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.18 154.48 47.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -131.41 131.64 43.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.79 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 45.22 1.79 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.0 t0 -108.96 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 413' ' ' LYS . 3.8 t -112.47 128.32 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.066 ' CG2' HD11 ' A' ' 430' ' ' LEU . 2.5 t -138.0 148.3 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.866 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -118.01 125.48 50.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.608 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.0 t -76.82 119.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.74 153.25 77.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.3 OUTLIER -84.99 -29.91 24.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 443' ' ' ASN . . . . . 0.409 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -160.36 147.5 12.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.45 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.98 -27.55 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.44 -14.26 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -81.37 150.51 28.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -114.9 155.0 27.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.63 110.47 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 106.08 -4.13 38.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -138.73 138.71 37.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.86 171.99 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.404 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -87.27 114.48 23.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.51 175.15 20.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.866 HG13 ' HG ' ' A' ' 437' ' ' LEU . 10.7 p -137.4 143.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.514 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -81.02 163.06 23.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -58.56 -38.79 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -46.5 86.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.525 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.6 m-20 -60.04 -32.8 71.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.39 -178.85 37.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.67 150.01 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 11.4 p90 -154.11 146.78 17.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -69.95 -7.48 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.19 0.83 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.846 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.5 p -126.6 179.18 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 415' ' ' GLN . 0.5 OUTLIER -126.9 142.63 51.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtm180 -81.32 137.42 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.44 HG21 ' HZ1' ' A' ' 413' ' ' LYS . 44.7 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.414 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 141.54 26.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.812 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.47 -24.53 11.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.5 t80 -36.36 146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.1 mtt -107.06 -66.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.0 p90 -159.16 -179.92 8.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.801 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.7 OUTLIER -99.96 147.65 25.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -137.84 164.72 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 416' ' ' ALA . 0.1 OUTLIER -134.1 136.06 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.882 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -79.12 152.12 30.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -118.67 -0.39 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.6 m-70 -146.79 169.35 19.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.4 OUTLIER -106.28 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.897 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -108.26 106.82 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.02 113.7 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.897 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.66 116.79 30.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.2 p -118.55 93.87 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.449 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 4.4 t70 -142.5 -175.42 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.2 t -87.62 3.43 47.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -169.89 37.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -92.79 170.23 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.801 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -130.18 113.68 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.726 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.77 139.58 38.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.075 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -130.85 147.11 52.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -127.38 133.26 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.59 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.45 45.79 2.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.483 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 4.4 t70 -107.56 167.36 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.801 HG13 ' HE3' ' A' ' 413' ' ' LYS . 10.7 t -111.38 125.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 430' ' ' LEU . 2.4 t -137.46 139.89 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.41 126.17 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' A' ' 414' ' ' VAL . 39.0 t -74.61 118.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.09 152.91 76.48 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.46 -175.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -81.52 -30.61 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.75 147.38 11.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.75 19.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.4 OUTLIER -70.83 -23.1 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.9 mm-40 -89.86 -16.15 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -82.27 151.27 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.56 175.13 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -89.24 98.33 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 120.09 -23.1 8.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.582 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -117.66 135.49 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.76 171.98 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.45 113.12 22.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.01 167.08 22.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.4 p -128.75 142.29 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -78.79 162.44 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.76 -38.65 78.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -43.65 98.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 455' ' ' VAL . 21.7 m-20 -63.47 -32.76 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.491 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.6 t90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.801 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.74 178.5 38.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -125.67 161.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.464 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 11.0 p90 -164.04 156.17 14.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.582 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.429 1.752 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.963 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -66.98 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -63.57 -30.55 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 1.031 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.24 3.25 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 478' ' ' THR . . . . . 1.031 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -134.95 179.6 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -141.43 128.15 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 414' ' ' VAL . 6.0 ptt180 -75.78 140.77 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.95 138.98 23.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.31 -20.61 25.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 23.2 t80 -36.6 154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.527 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.9 mtt -113.08 -75.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.8 p90 -160.44 175.4 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 148.38 22.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -131.72 161.73 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.0 tp-100 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.12 136.54 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' GLN . . . . . 0.534 ' NE2' ' CD ' ' A' ' 479' ' ' GLU . 4.9 mt-30 -108.76 -5.61 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.512 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 85.8 m-70 -144.45 170.56 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.19 103.8 13.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.902 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -108.57 103.88 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.94 113.05 12.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.902 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.27 118.48 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.7 p -117.27 94.93 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.6 t0 -141.13 -175.38 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -86.83 3.1 46.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 39.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.19 170.26 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.771 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.01 113.47 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -84.68 136.11 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.91 145.53 51.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.46 132.29 53.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.91 106.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.27 41.5 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.764 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 5.2 t0 -104.57 163.21 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.79 118.06 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 414' ' ' VAL . 79.1 t -134.56 144.01 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.846 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -106.39 132.8 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.585 HG23 HG11 ' A' ' 414' ' ' VAL . 42.9 t -78.57 121.47 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.771 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.45 154.0 80.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 440' ' ' PRO . . . . . 0.411 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.94 -171.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.54 -20.96 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.64 146.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.69 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.68 -19.09 62.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -94.19 -13.06 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -89.07 151.52 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -110.17 159.84 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 449' ' ' GLU . 4.9 pt-20 -71.96 115.5 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.481 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.38 -0.33 55.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.29 138.88 38.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.08 172.6 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.0 ttm -88.93 115.53 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.771 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.94 169.54 22.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.846 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -134.88 144.56 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -75.23 159.87 31.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.52 -40.94 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -36.99 82.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.609 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.2 m-20 -67.88 -31.91 72.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.523 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 107.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.771 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.34 178.73 38.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.75 153.53 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.442 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 9.2 p90 -161.57 150.82 13.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 116.91 4.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.62 -34.49 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -66.48 -10.5 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.06 2.91 35.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -128.63 -179.61 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.534 ' CD ' ' NE2' ' A' ' 417' ' ' GLN . 2.4 tt0 -126.21 148.05 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.4 mtm180 -88.51 128.94 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.66 30.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.437 1.756 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.84 -22.65 16.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.4 t80 -36.84 148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.39 -68.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 27.1 p90 -159.25 -179.99 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 435' ' ' VAL . 0.9 OUTLIER -101.8 147.53 26.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -134.25 156.42 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.0 OUTLIER -121.69 131.11 53.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 1.122 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -73.12 137.93 45.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.86 -4.31 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.2 m-70 -142.77 170.32 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.97 104.11 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.831 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.77 105.1 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -76.04 114.72 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.831 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -109.88 117.79 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 36.2 p -116.48 93.18 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -143.31 -173.86 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 2.3 t -91.26 7.35 41.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.5 OUTLIER -178.8 61.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.46 ' C ' ' CD ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -118.59 171.75 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.403 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 11.4 tp -122.36 113.16 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' GLN . . . . . 0.505 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -81.24 130.05 34.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.122 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -122.49 142.18 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -123.99 128.57 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -35.09 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 95.07 52.91 1.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -114.44 177.39 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 413' ' ' LYS . 96.9 t -118.51 124.73 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.771 ' CG2' HD11 ' A' ' 430' ' ' LEU . 5.1 t -138.4 133.29 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.7 127.79 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 414' ' ' VAL . 59.9 t -76.44 120.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.764 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.34 153.76 80.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.7 -27.34 27.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.23 147.0 7.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.0 20.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -23.8 62.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.49 -16.35 30.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -81.61 150.72 27.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -115.31 164.11 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.85 116.03 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 102.39 -15.95 55.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -127.63 137.24 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.835 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.11 172.69 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.76 113.56 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.764 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.5 171.89 21.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -130.27 140.24 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 435' ' ' VAL . 19.9 mtmt -79.15 162.0 26.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 435' ' ' VAL . 5.5 tt0 -57.79 -42.14 83.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -45.95 87.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 455' ' ' VAL . 4.9 m-20 -60.36 -33.26 72.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.556 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.9 t90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -154.41 -179.55 29.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.403 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.9 t -126.59 151.0 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 6.8 p90 -157.33 149.15 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.835 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.67 -31.28 71.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -70.07 -6.96 37.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.875 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.45 1.33 21.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.875 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -125.76 179.96 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 479' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 415' ' ' GLN . 15.5 tt0 -124.32 135.06 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -78.53 127.4 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.495 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 39.6 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 133.8 17.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 93.15 -21.93 37.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 12.1 t80 -36.66 150.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.6 mtt -109.61 -71.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 30.0 p90 -158.64 179.77 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.527 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.62 151.31 20.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -133.18 164.61 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -132.22 118.79 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 1.03 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.09 150.41 48.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -122.4 -2.75 8.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.2 m-70 -145.48 169.81 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.37 99.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.83 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -106.91 104.49 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 112.8 12.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.83 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.85 118.46 34.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 17.3 p -117.58 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.19 -175.62 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.0 t -79.9 -13.27 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.29 45.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -92.19 169.98 10.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.455 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.7 tp -123.52 114.69 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.65 127.04 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 1.03 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -117.14 141.88 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -122.33 128.74 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.04 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.84 49.79 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -113.48 167.48 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.555 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.5 m -118.78 124.21 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 430' ' ' LEU . 46.5 t -136.73 150.37 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.721 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 130.54 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.605 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.7 t -78.37 122.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.96 153.56 78.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.65 -172.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.7 OUTLIER -82.36 -29.73 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 443' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.4 OUTLIER -162.6 146.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.18 19.87 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.92 -27.08 64.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.77 -13.14 46.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.19 148.23 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -111.45 148.31 33.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.7 109.21 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.45 -4.81 31.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -138.32 142.87 39.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -136.45 172.1 13.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 453' ' ' MET . . . . . 0.521 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.12 115.65 26.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.89 174.71 20.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.721 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -137.36 143.49 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -78.06 161.51 27.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.555 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -45.38 88.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.495 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.9 m-20 -59.4 -33.0 70.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.543 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 471' ' ' GLY . . . . . 0.521 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -155.02 -179.61 30.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.411 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.96 147.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CZ ' HD13 ' A' ' 452' ' ' LEU . 14.5 p90 -154.24 146.51 17.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -67.73 -31.08 70.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -70.6 -6.94 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.868 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.52 1.49 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.868 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -128.05 -179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.27 144.23 51.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -83.24 129.9 35.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' VAL . . . . . 0.527 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 66.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 138.28 22.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 409' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.58 -22.5 24.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.4 t80 -36.01 153.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.0 mtt -113.99 -70.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 412' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 438' ' ' VAL . 7.2 p90 -159.46 176.63 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' LYS . . . . . 0.656 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.94 150.21 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.9 m -132.49 166.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.7 OUTLIER -132.79 124.77 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 416' ' ' ALA . . . . . 0.933 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -71.29 144.94 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -115.79 -2.67 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 418' ' ' HIS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.4 m-70 -148.06 169.43 19.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -104.67 103.25 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' TYR . . . . . 0.905 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -108.78 103.64 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.31 112.92 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' ALA . . . . . 0.905 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.96 118.04 33.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.5 p -117.47 95.15 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 424' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 8.9 t0 -140.77 -175.52 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 5.1 t -83.11 0.21 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -174.61 43.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 427' ' ' GLU . . . . . 0.426 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -91.99 170.34 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 428' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 454' ' ' GLY . 9.4 tp -121.61 114.79 21.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.65 132.42 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -125.56 152.07 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.9 134.78 48.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 432' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.95 98.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.49 49.37 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' ASP . . . . . 0.582 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 25.6 t70 -112.43 168.77 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' VAL . . . . . 0.656 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 5.3 m -118.76 123.0 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 414' ' ' VAL . 44.0 t -134.22 146.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -110.34 130.14 55.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 438' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 412' ' ' PHE . 47.5 t -77.97 121.62 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' ILE . . . . . 0.744 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.28 153.11 80.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -21.2 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.45 147.86 1.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.368 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -16.55 20.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 -17.43 61.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.72 -10.57 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.14 153.05 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 14.7 t70 -110.87 170.06 8.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -82.72 114.64 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.38 -18.16 36.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -124.56 143.09 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 452' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -135.32 172.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.61 114.07 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLY . . . . . 0.744 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.66 174.23 20.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.661 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.4 p -134.96 142.94 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -79.1 160.18 27.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 457' ' ' GLU . . . . . 0.596 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -43.46 90.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 22.4 m-20 -59.92 -32.96 71.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.13 -179.91 35.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' VAL . . . . . 0.429 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -123.73 149.97 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.1 p90 -154.05 147.13 17.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.02 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 452' ' ' LEU . 4.6 tt0 -67.12 -30.09 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -71.26 -6.82 42.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.03 2.24 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 478' ' ' THR . . . . . 0.947 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.14 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 153.46 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 0.8 OUTLIER -89.7 139.17 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.504 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -58.91 161.62 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.261 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -28.27 12.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -115.36 155.03 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 159.29 31.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -75.04 134.78 18.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 141.2 26.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.07 35.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.5 t80 -36.99 151.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 438' ' ' VAL . 11.9 mtt -110.66 -72.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.4 p90 -162.96 178.15 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.6 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -94.52 143.53 26.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -124.77 166.03 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -132.86 119.08 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.1 156.12 34.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -126.33 1.33 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.9 m-70 -148.17 169.35 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.8 102.74 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.916 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -110.5 103.95 12.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.11 113.03 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.916 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.56 118.4 34.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.1 p -117.4 95.36 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.431 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 5.2 t70 -140.81 -175.73 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.4 t -81.86 -3.25 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -171.89 45.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.455 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.4 mm-40 -92.48 170.36 9.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.577 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.4 tp -121.41 113.58 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -85.34 125.02 32.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 0.4 OUTLIER -115.63 145.65 42.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.37 130.47 50.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.53 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 102.2 47.68 1.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.424 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.9 t0 -111.48 167.16 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 413' ' ' LYS . 2.4 m -119.57 123.26 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 39.6 t -135.46 146.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.19 132.58 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.664 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.4 t -82.25 118.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.703 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.02 152.62 79.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.75 -172.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.533 ' O ' ' ND2' ' A' ' 443' ' ' ASN . 0.0 OUTLIER -80.7 -25.9 37.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 442' ' ' GLN . 1.0 OUTLIER -169.72 147.95 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.42 20.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.95 -15.19 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -99.23 -7.98 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.55 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.88 151.86 20.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -103.43 173.41 6.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -84.26 110.24 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.58 2.73 56.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.909 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -134.29 137.07 43.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.99 171.55 12.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.18 116.15 27.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.703 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -141.36 163.83 26.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 459' ' ' ASP . 13.6 p -127.81 145.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.646 ' HG3' HG22 ' A' ' 436' ' ' VAL . 11.2 mtmt -70.66 164.41 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.514 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.0 tt0 -62.82 -42.06 99.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.565 ' HA ' ' ND2' ' A' ' 461' ' ' ASN . 0.1 OUTLIER -63.86 -43.21 96.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.749 ' HB2' HG22 ' A' ' 455' ' ' VAL . 62.2 m-20 -59.83 -34.15 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.3 t90 -53.44 -43.59 68.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.565 ' ND2' ' HA ' ' A' ' 458' ' ' SER . 1.6 m-20 -53.68 -27.28 26.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -97.94 18.46 15.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.13 -23.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.566 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.62 -30.44 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.99 39.14 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -30.36 53.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.413 ' HG2' ' NH2' ' A' ' 470' ' ' ARG . 1.7 mt-10 -54.95 -18.25 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.5 7.82 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.26 -13.74 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 442' ' ' GLN . 0.8 OUTLIER -52.68 136.92 32.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -152.83 -179.47 28.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -126.97 151.35 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -159.71 148.74 14.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -36.41 80.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -64.04 -12.88 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -101.87 2.14 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.55 -179.79 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -132.1 151.91 51.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.8 mtt180 -84.87 135.43 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.6 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 86.1 t -105.88 117.29 58.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.522 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -92.04 -176.27 4.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.9 pt? -123.99 -40.53 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.85 154.15 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.86 160.63 43.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 134.79 18.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.93 27.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.07 -22.42 22.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 14.6 t80 -36.87 149.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -109.59 -69.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.3 p90 -161.1 -179.81 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.559 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -99.48 147.45 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.7 m -127.44 167.23 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -132.65 118.98 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.699 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.18 150.05 49.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -120.83 -0.88 10.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.5 169.58 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -107.54 98.43 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.88 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -106.35 104.05 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.78 113.15 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.88 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.23 117.76 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.98 95.06 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -141.14 -175.49 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -84.52 -0.02 51.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -172.16 46.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.452 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -98.14 170.41 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.579 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -125.6 113.2 17.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.566 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.1 tt0 -81.63 137.86 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.037 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.1 mm? -129.5 141.66 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -120.22 133.58 55.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.9 100.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.02 48.38 1.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.463 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.5 t70 -112.26 171.0 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 457' ' ' GLU . 3.8 m -119.13 127.82 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.037 ' CG2' HD11 ' A' ' 430' ' ' LEU . 14.7 t -137.42 146.37 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.607 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.41 133.84 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.543 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.8 t -84.09 121.02 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.801 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.37 152.7 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.34 -174.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -80.95 -29.77 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -162.82 147.99 9.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.26 20.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.52 -22.21 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -89.13 -16.42 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -74.84 150.7 39.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -104.19 169.31 8.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 103.64 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.66 0.97 52.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.59 143.33 50.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -134.24 172.43 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.411 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.8 OUTLIER -89.4 117.73 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.801 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.26 173.49 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.4 p -133.96 144.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.2 mtmp? -77.97 158.93 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.627 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.0 tt0 -58.11 -39.26 78.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -35.78 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.848 ' HB2' HG22 ' A' ' 455' ' ' VAL . 76.2 m-20 -65.56 -33.66 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.527 ' HB2' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 -52.45 -47.44 66.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -56.86 -25.59 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' A' ' 464' ' ' LYS . 49.8 mm-40 -94.63 17.38 13.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.756 ' HA ' HD23 ' A' ' 466' ' ' LEU . 1.6 t60 -45.55 -23.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -58.58 -30.63 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 465' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -148.81 52.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 463' ' ' HIS . 3.2 pp -68.55 -30.52 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.49 -17.32 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' LYS . . . . . 0.455 ' HG3' ' CG ' ' A' ' 465' ' ' LYS . 4.1 mmmt -108.42 7.72 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 6.4 m -124.56 4.61 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -61.94 150.78 36.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.78 178.1 39.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.427 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.2 t -120.45 153.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.372 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 16.3 p90 -154.69 144.87 15.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.568 1.825 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.22 -36.68 82.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -64.68 -11.9 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -104.22 2.14 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.4 p -131.46 177.92 7.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -129.0 148.07 50.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.0 mtm180 -82.43 134.83 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.559 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 96.2 t -109.18 115.86 56.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -56.63 173.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.33 -33.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -114.99 149.81 36.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.72 159.18 55.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.98 135.0 18.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.439 1.757 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.02 141.9 27.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.85 -22.94 19.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.4 t80 -36.78 152.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.9 mtt -114.15 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 26.6 p90 -162.94 170.83 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.755 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -90.38 145.47 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.4 m -125.32 165.29 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -131.54 118.82 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.73 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.25 150.62 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -120.68 -2.21 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.9 169.39 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -101.79 108.33 19.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 11.3 t80 -115.09 102.91 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.98 113.94 18.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 117.84 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.5 p -118.32 93.63 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.435 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 6.1 t0 -142.79 -174.87 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.7 t -91.67 5.32 50.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.49 56.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.478 ' HG2' ' CB ' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -120.12 171.92 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -122.75 122.94 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.61 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -89.03 131.33 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.895 HD11 HG21 ' A' ' 436' ' ' VAL . 3.6 mm? -120.56 147.19 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -129.1 131.92 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.74 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.64 49.81 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.535 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t70 -113.87 170.42 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.755 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.3 OUTLIER -118.97 124.96 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 430' ' ' LEU . 3.1 t -136.03 139.49 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.16 133.28 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.526 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.4 t -83.18 111.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.0 152.35 59.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.8 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -17.85 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -176.09 148.39 0.92 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.48 18.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -92.68 -7.12 47.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.4 150.94 21.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -102.38 175.01 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.47 108.66 18.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.17 7.87 54.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.645 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -138.64 139.49 38.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.96 171.32 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.509 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.6 OUTLIER -89.89 115.59 27.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.42 166.39 24.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.5 p -125.37 142.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 1.5 mtmp? -74.22 159.42 32.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.48 -39.48 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -38.28 87.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.7 m-20 -64.85 -33.71 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.61 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.6 t90 -52.78 -46.97 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -54.3 -26.24 28.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -98.52 18.28 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.33 -22.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.6 tttp -57.41 -30.08 64.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.75 49.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.54 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.69 -18.06 7.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.33 8.25 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.05 5.26 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.248 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.53 150.0 37.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.509 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -163.83 -179.82 38.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.4 151.27 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 15.3 p90 -154.59 145.76 16.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.43 -34.22 76.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -67.47 -9.78 45.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.913 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.43 1.56 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.913 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.85 178.59 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.14 151.1 51.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 6.5 mtm-85 -84.52 137.43 33.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.629 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 93.0 t -111.04 116.15 51.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.963 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -68.77 171.87 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.24 -31.26 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -112.02 152.58 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.51 159.14 34.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.94 138.78 23.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 130.42 13.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 96.2 -18.99 56.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 30.5 t80 -36.87 152.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.1 mtt -110.23 -72.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 11.5 p90 -164.03 179.87 6.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -95.74 145.16 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.573 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -126.38 166.46 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.98 119.0 20.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.47 147.76 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -119.17 -4.22 10.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.2 m-70 -143.95 169.22 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.33 104.93 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.849 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.4 t80 -114.49 103.61 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -76.03 113.05 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.849 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.16 117.97 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 21.6 p -118.1 95.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 3.9 t0 -140.78 -175.88 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -80.78 -8.84 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -165.32 47.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.3 mm-40 -96.21 170.37 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -124.38 113.66 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.743 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -82.54 135.92 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.1 mm? -127.18 148.56 50.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.75 132.98 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -40.28 97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.76 47.92 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.569 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.9 t0 -110.92 170.33 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.598 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.5 m -119.77 122.96 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -137.23 149.7 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.75 133.71 53.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.573 HG23 ' CG1' ' A' ' 414' ' ' VAL . 27.5 t -83.38 121.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.711 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.47 153.58 80.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.9 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.6 -31.37 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.68 147.76 9.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.35 19.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -15.24 61.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.3 -12.41 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -88.62 151.56 22.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -107.93 158.71 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.45 107.54 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.87 -2.41 30.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -137.77 140.8 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.26 172.65 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -86.74 120.17 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.711 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -143.62 160.97 27.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.6 p -125.88 145.77 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 436' ' ' VAL . 1.5 mtmp? -71.66 166.03 22.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.598 ' CB ' HG23 ' A' ' 435' ' ' VAL . 12.2 tt0 -61.76 -41.58 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 461' ' ' ASN . 0.2 OUTLIER -65.77 -43.61 88.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.958 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -61.39 -33.65 74.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.607 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.6 t90 -52.98 -33.63 52.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 107.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.491 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 0.7 OUTLIER -66.12 -24.78 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.448 ' C ' ' N ' ' A' ' 464' ' ' LYS . 10.0 mm100 -85.64 16.84 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 14.3 t60 -44.88 -23.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.448 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.6 mtmp? -58.05 -30.33 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -155.82 55.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 466' ' ' LEU . 1.3 pt? -69.49 -29.92 67.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.63 -17.88 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.58 8.33 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.0 9.1 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -66.21 155.09 38.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.565 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -160.48 -179.35 35.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -125.82 150.03 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.521 ' HZ ' HG22 ' A' ' 438' ' ' VAL . 10.6 p90 -154.23 147.65 18.39 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.99 118.39 5.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.653 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.54 -34.19 76.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -67.35 -9.85 45.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.895 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.79 1.53 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.895 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.53 178.39 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.45 147.37 51.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 132.98 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.519 HG13 ' HD2' ' A' ' 482' ' ' PRO . 81.7 t -102.68 138.84 19.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' PRO . . . . . 0.519 ' HD2' HG13 ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -80.24 -173.99 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -123.5 -42.52 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.405 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 37.3 m-20 -109.15 155.06 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.34 160.95 53.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.5 Cg_endo -75.01 135.0 18.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.32 26.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.07 -21.99 21.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.3 t80 -36.56 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.443 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 11.6 mtt -111.79 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.8 p90 -162.36 173.72 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 140.29 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.643 HG11 HG23 ' A' ' 438' ' ' VAL . 1.3 m -123.95 165.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.87 121.75 22.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.93 150.08 49.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -120.76 -1.21 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.61 169.35 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.93 105.85 16.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.895 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.28 105.31 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.35 113.1 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.98 33.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.94 95.12 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.5 t70 -140.72 -175.67 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -82.76 -1.95 53.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -172.26 46.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.2 mm-40 -95.28 170.38 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -123.95 113.69 18.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.846 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.8 tt0 -81.74 137.45 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.049 HD11 HG21 ' A' ' 436' ' ' VAL . 3.1 mm? -127.6 143.77 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.26 131.54 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.24 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.13 48.01 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.561 ' OD2' HD13 ' A' ' 430' ' ' LEU . 19.6 t0 -109.79 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.7 m -119.33 121.73 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 430' ' ' LEU . 71.0 t -137.14 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.886 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.36 133.14 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.643 HG23 HG11 ' A' ' 414' ' ' VAL . 8.7 t -79.69 119.83 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.97 153.13 80.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 440' ' ' PRO . . . . . 0.413 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.74 -176.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -34.01 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -154.08 143.4 15.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.47 18.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.9 -15.64 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -77.8 149.9 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -108.46 170.46 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -82.55 108.96 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.88 2.61 56.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -135.04 135.44 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.62 171.16 12.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.4 ttm -88.69 113.77 24.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.97 170.71 21.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.886 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -133.97 142.08 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.496 ' HG3' HG22 ' A' ' 436' ' ' VAL . 2.8 mtmp? -74.75 161.13 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.6 tt0 -58.83 -42.74 89.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -40.12 92.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -64.77 -32.08 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.725 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -50.95 -47.71 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -54.08 -25.66 22.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.2 mm-40 -89.88 16.76 7.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 16.3 t60 -45.28 -23.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 7.1 pttt -58.83 -39.8 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -147.56 49.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.9 pt? -70.01 -30.67 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 7.0 mt-10 -55.51 -17.48 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.89 7.58 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.41 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.5 OUTLIER -130.11 8.6 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.9 OUTLIER -57.82 155.24 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.596 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -159.26 -179.63 34.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -124.17 150.49 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.512 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.7 p90 -154.33 147.52 18.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.04 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -32.54 73.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -68.91 -8.81 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -107.07 0.77 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -126.97 -179.75 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -132.35 149.49 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 8.6 mtm-85 -86.87 136.88 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.599 HG13 ' HD2' ' A' ' 482' ' ' PRO . 92.6 t -117.21 141.54 28.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' PRO . . . . . 0.599 ' HD2' HG13 ' A' ' 481' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.579 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -52.04 159.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 -27.01 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -115.37 147.53 40.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 159.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.85 27.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.92 30.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 29.6 t80 -36.47 154.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.6 mtt -116.44 -69.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 17.0 p90 -163.9 177.15 8.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.615 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -95.93 146.41 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.753 ' CG1' HG23 ' A' ' 438' ' ' VAL . 0.9 OUTLIER -126.79 165.7 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.437 ' HB2' HG21 ' A' ' 481' ' ' VAL . 1.9 tp-100 -129.27 119.66 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.72 146.18 54.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.21 -3.28 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -146.11 169.39 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.18 101.91 11.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -107.18 103.81 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -77.22 112.8 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.26 118.24 34.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -117.53 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.7 t70 -140.67 -175.65 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -81.06 -4.16 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.37 44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.445 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.1 mm-40 -91.7 170.25 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 454' ' ' GLY . 5.6 tp -121.39 114.92 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.428 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 5.4 tt0 -88.3 133.47 34.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.4 OUTLIER -126.64 151.4 48.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 134.49 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.06 100.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.84 44.26 2.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.56 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.5 t70 -110.04 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.615 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.1 m -115.23 126.95 72.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 430' ' ' LEU . 12.0 t -137.56 138.7 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -99.28 133.11 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.753 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -84.86 111.49 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.705 HD12 HG12 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -121.78 152.97 59.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.33 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -90.39 -8.07 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 179.52 148.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.92 19.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.72 -28.04 65.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.83 -7.6 58.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.4 tt0 -86.21 148.9 25.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.25 158.99 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.13 107.44 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.52 5.57 53.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.71 143.4 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.23 171.87 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.56 113.69 25.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.698 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.15 172.06 23.1 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.2 p -136.71 145.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.498 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 6.3 mtmp? -74.06 163.79 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 435' ' ' VAL . 5.6 tt0 -61.95 -46.48 89.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -38.26 74.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.0 m-20 -66.55 -33.76 76.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.579 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.4 t90 -52.35 -47.33 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -53.72 -26.31 22.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 7.5 mm100 -92.34 17.69 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 12.2 t60 -44.98 -23.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 31.7 tttt -57.24 -30.05 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -136.63 44.94 2.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -31.18 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.25 -18.15 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.42 8.47 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.66 -17.73 13.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.97 134.01 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -151.57 -179.28 27.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.31 148.89 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.449 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.9 p90 -158.56 149.82 16.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.05 118.01 5.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.58 -33.57 75.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -68.18 -9.14 44.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.84 3.61 28.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -129.24 -179.45 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -132.92 146.57 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -83.11 134.04 35.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.612 HG13 ' HD2' ' A' ' 482' ' ' PRO . 89.3 t -113.61 141.79 26.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' PRO . . . . . 0.612 ' HD2' HG13 ' A' ' 481' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.425 1.75 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -44.11 165.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 -23.42 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.417 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 27.9 m-20 -115.67 146.38 41.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.98 159.95 36.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.26 17.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 144.54 30.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.05 -18.04 38.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.6 t80 -36.86 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.7 mtt -110.96 -71.86 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.8 p90 -162.38 179.82 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -96.74 147.77 23.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.4 m -130.68 166.76 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -131.8 124.58 29.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.659 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -71.15 150.17 45.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -120.01 -2.85 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.2 m-70 -144.56 170.03 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 102.56 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.825 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -109.87 106.06 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -79.49 113.49 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.825 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.55 118.12 35.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -115.4 93.42 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -143.52 -174.04 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -90.06 7.95 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 t70 178.11 62.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -115.73 171.6 7.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 430' ' ' LEU . 3.2 tp -120.55 113.3 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.477 ' C ' HD22 ' A' ' 430' ' ' LEU . 5.1 tt0 -83.18 131.74 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -122.94 140.69 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.06 130.85 53.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.81 101.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 96.42 51.57 1.69 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.1 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 7.8 t0 -114.3 171.76 7.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.537 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.3 m -119.47 124.45 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 430' ' ' LEU . 8.2 t -136.16 146.25 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.42 131.28 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.458 HG23 ' CG1' ' A' ' 414' ' ' VAL . 15.2 t -80.91 118.93 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.729 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.21 152.69 79.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.16 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -79.77 -29.2 40.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -159.91 143.78 10.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' PRO . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.3 Cg_endo -75.03 -19.47 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -14.73 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.84 -2.84 43.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.66 152.59 19.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.409 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 12.8 t70 -102.7 168.19 9.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 102.46 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.03 -7.98 29.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.586 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -126.73 138.97 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.48 172.18 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -89.82 115.77 27.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.66 171.77 23.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.3 p -133.27 145.36 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.1 OUTLIER -80.53 162.01 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.537 ' CB ' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -58.48 -35.54 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -47.22 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 455' ' ' VAL . 39.4 m-20 -60.52 -33.6 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.558 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 5.4 t90 -53.34 -47.04 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -53.79 -26.19 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 44.3 mm-40 -96.14 18.19 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 0.4 OUTLIER -45.57 -23.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.605 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.89 -30.44 65.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -132.2 42.1 3.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -55.9 -30.73 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.75 -22.8 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 7.63 14.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -13.31 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 2.2 mtm180 -55.25 149.27 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.413 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -159.35 -179.81 34.43 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.417 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.14 149.45 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.5 p90 -156.69 146.56 15.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.453 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.69 -33.54 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.04 -9.0 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.876 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.82 1.96 25.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.876 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.79 179.81 5.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -131.89 144.87 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.2 mtm180 -79.64 139.61 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.501 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 82.8 t -112.71 115.78 48.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.542 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -60.81 168.76 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.58 -16.88 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -115.4 147.8 40.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 159.39 31.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 135.41 19.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.04 131.21 13.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 98.03 -19.27 55.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.6 t80 -37.07 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 438' ' ' VAL . 10.3 mtt -113.93 -72.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 9.1 p90 -161.47 172.78 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.869 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -92.74 144.25 25.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -124.43 165.86 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.16 118.46 21.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.74 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -64.3 150.28 46.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.98 -1.78 9.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.5 m-70 -145.84 169.52 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -107.48 99.12 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -107.14 103.63 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.92 112.5 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.37 118.12 33.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.1 p -117.48 95.23 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.7 t70 -141.02 -175.54 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.2 t -80.03 -13.29 59.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 3.4 p-10 -161.18 45.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.9 mm-40 -92.19 170.28 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.8 tp -124.26 113.99 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.705 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -84.13 133.23 34.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.1 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -125.23 137.0 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -117.68 129.77 55.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.42 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.4 48.55 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 9.8 t0 -113.3 170.21 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.869 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.2 OUTLIER -119.32 124.5 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.1 HG21 HD11 ' A' ' 430' ' ' LEU . 44.1 t -136.26 140.54 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.789 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -101.38 132.47 46.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 HG11 ' A' ' 414' ' ' VAL . 4.1 t -82.99 113.18 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.735 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -122.15 153.46 61.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -57.05 -172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -9.22 52.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.01 147.94 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.44 19.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.11 -26.78 64.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -88.04 -4.22 58.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -87.4 150.94 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -107.25 169.44 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.27 97.1 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 109.42 1.09 31.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -133.09 144.34 49.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -136.94 172.71 12.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.13 116.7 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.735 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -139.49 164.74 25.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.789 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.8 p -127.1 145.74 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -74.7 164.16 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 435' ' ' VAL . 16.5 tt0 -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.416 ' HA ' ' OD1' ' A' ' 461' ' ' ASN . 0.1 OUTLIER -63.83 -45.33 90.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 28.5 m-20 -59.92 -33.79 72.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.705 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.2 t90 -52.7 -35.23 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.521 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 0.7 OUTLIER -64.76 -25.54 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 464' ' ' LYS . 5.2 mm100 -88.43 18.43 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.8 t60 -44.74 -23.37 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 462' ' ' GLN . 12.5 ptpt -57.93 -30.46 65.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.5 52.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.852 HD12 ' N ' ' A' ' 467' ' ' GLU . 2.9 pp -69.32 -30.63 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.852 ' N ' HD12 ' A' ' 466' ' ' LEU . 46.9 mt-10 -53.34 -28.41 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.04 8.89 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 5.08 9.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -62.88 149.3 44.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -156.4 179.99 31.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -124.21 152.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 10.3 p90 -158.16 147.53 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 116.3 4.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.59 -32.02 72.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -68.66 -9.6 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.833 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.33 2.03 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.833 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -127.29 178.64 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.69 144.12 51.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -80.09 134.57 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 32.9 t -109.63 116.3 54.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.656 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -127.95 142.72 51.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.72 -36.76 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.557 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 8.7 m-20 -72.59 156.13 39.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.82 158.01 32.95 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.95 135.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 138.78 23.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.25 -22.08 21.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.45 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.15 -69.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 26.3 p90 -157.2 -179.91 8.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.504 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.2 OUTLIER -101.69 146.83 27.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.549 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -127.22 164.34 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -133.25 119.46 19.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.846 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 155.94 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -126.1 0.77 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.22 169.97 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.25 102.11 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.7 t80 -114.57 109.92 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 4.5 m -79.22 113.75 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.97 116.77 30.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.0 p -119.59 93.61 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -141.56 -175.77 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.9 t -78.33 -14.38 59.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -156.44 42.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.668 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -92.04 168.19 11.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 454' ' ' GLY . 7.3 tp -129.02 113.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.743 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.38 136.04 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.12 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.62 139.5 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -121.23 130.11 53.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.07 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.67 51.06 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.425 ' OD2' HD13 ' A' ' 430' ' ' LEU . 35.1 t70 -113.26 166.13 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 457' ' ' GLU . 13.7 m -118.79 124.41 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.12 HG21 HD11 ' A' ' 430' ' ' LEU . 98.3 t -135.43 148.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.64 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.98 131.69 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.549 HG23 ' CG1' ' A' ' 414' ' ' VAL . 9.9 t -80.05 114.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.57 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -125.48 152.33 71.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -86.33 -17.83 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.89 148.67 1.72 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.11 19.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.77 -17.95 61.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 -7.04 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.552 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -93.77 152.97 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 36.1 t0 -107.77 171.36 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.08 105.7 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 106.86 -13.87 41.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -119.72 135.94 54.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -125.32 170.46 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.61 113.44 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.57 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.99 164.85 24.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.2 p -125.65 143.54 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.455 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -75.54 161.45 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.638 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.8 tt0 -58.48 -40.56 83.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -40.07 96.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.922 ' HB2' HG22 ' A' ' 455' ' ' VAL . 11.5 m-20 -61.25 -32.99 72.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.64 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -52.43 -47.84 66.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.034 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -67.92 -24.88 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.428 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.2 mm-40 -85.59 18.08 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.656 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.27 -23.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 462' ' ' GLN . 10.2 mttp -57.36 -30.15 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' LYS . . . . . 0.459 ' HB3' ' CG ' ' A' ' 468' ' ' LYS . 23.0 mttm -141.89 51.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -30.44 68.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -33.67 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -104.34 8.65 35.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -110.31 -4.2 15.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 108.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -67.76 151.26 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.36 179.94 40.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.39 157.99 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 18.9 p90 -159.08 152.72 19.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -33.93 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -64.6 -21.39 66.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.975 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -94.52 0.53 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.975 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.21 179.71 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -130.92 150.14 52.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.8 mtt180 -86.09 129.97 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.504 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 91.7 t -104.55 115.46 62.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.593 ' CD ' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -87.6 -171.66 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.64 -39.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -115.36 156.15 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.51 161.05 60.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.97 135.73 19.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 137.19 21.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.6 -22.66 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.1 t80 -36.29 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.7 mtt -110.97 -71.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.3 p90 -159.84 177.57 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 147.41 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.867 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.5 m -130.5 166.71 27.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.408 ' HB2' HG21 ' A' ' 481' ' ' VAL . 2.5 tp-100 -133.46 121.67 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.77 150.05 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -121.96 -3.3 9.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.9 m-70 -143.92 169.41 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -108.21 100.47 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -109.24 104.25 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.4 m -75.73 113.09 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.32 118.26 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -117.61 94.82 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.47 -175.19 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 3.6 p-10 -160.73 41.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -91.33 170.27 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.704 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.03 117.19 21.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.778 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -85.11 137.68 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.4 mm? -129.2 139.76 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -120.15 131.81 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -39.94 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 48.57 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.9 t0 -113.97 167.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.2 m -116.2 122.19 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.867 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 t -135.46 141.71 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.9 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.57 131.87 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.618 HG23 HG13 ' A' ' 414' ' ' VAL . 35.3 t -78.46 120.07 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.773 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.85 152.61 77.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.17 -175.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -80.99 -21.31 40.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.3 147.98 3.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.74 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.51 -20.47 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -1.27 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.494 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -96.85 152.8 18.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.97 170.85 7.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.34 100.17 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 108.93 -0.94 31.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.087 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -128.19 144.69 51.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -136.36 172.21 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.419 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -89.53 113.92 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.773 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.14 171.74 20.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.9 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.9 p -137.28 142.75 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.663 ' HD3' HD11 ' A' ' 428' ' ' LEU . 0.0 OUTLIER -75.94 160.4 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' A' ' 435' ' ' VAL . 6.9 tt0 -58.72 -41.3 86.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -38.65 86.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.537 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -67.5 -31.51 71.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.808 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.16 -47.48 62.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -54.65 -25.72 28.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.469 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.5 OUTLIER -87.8 17.41 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.488 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.0 OUTLIER -44.45 -23.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.469 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.2 tttm -58.65 -41.53 86.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.27 43.05 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.2 pt? -70.06 -29.95 67.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.41 -24.46 19.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.98 4.82 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -60.17 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.704 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -156.76 -179.1 31.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.7 t -121.23 153.55 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 452' ' ' LEU . 12.4 p90 -160.37 150.76 15.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.886 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.5 tt0 -67.58 -33.97 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -66.69 -10.65 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.97 1.47 31.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -127.84 -179.93 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -128.18 147.64 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -84.29 134.45 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 482' ' ' PRO . 92.6 t -116.13 133.51 22.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.493 ' NE ' ' N ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -52.35 -177.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.06 -39.13 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 20.9 m-20 -114.49 154.05 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.67 160.71 58.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.02 135.53 19.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 139.35 24.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.32 -22.35 27.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.103 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 35.2 t80 -36.82 152.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -113.22 -65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 34.3 p90 -164.0 177.05 8.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.627 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.1 OUTLIER -96.41 141.86 29.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.1 m -130.75 163.02 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 481' ' ' VAL . 0.0 OUTLIER -134.04 128.31 34.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.49 148.1 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -117.66 -1.33 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.92 170.84 15.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.593 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.75 104.82 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.889 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.9 t80 -114.69 103.59 11.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -76.62 113.03 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.889 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.29 118.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 72.7 p -117.73 94.87 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.8 t70 -140.85 -175.71 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.4 t -86.12 3.93 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.87 39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.47 170.06 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 430' ' ' LEU . 1.3 tp -122.55 113.76 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.599 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.4 tt0 -84.62 135.8 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' A' ' 436' ' ' VAL . 4.1 mm? -130.68 147.75 52.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.42 127.93 41.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -31.9 104.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 48.05 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.613 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -110.96 167.66 10.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.628 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.3 m -119.6 122.36 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 430' ' ' LEU . 78.1 t -135.91 149.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.627 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -79.28 120.69 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.688 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.57 154.14 80.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.57 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -82.96 -31.11 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -160.77 146.66 11.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.66 19.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.1 OUTLIER -69.34 -24.29 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.5 mt-10 -89.66 -15.38 32.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.6 tt0 -79.65 149.6 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.52 134.58 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.68 117.85 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.26 57.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -129.29 140.35 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.38 172.07 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.452 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.29 113.91 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.688 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.78 160.01 24.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 459' ' ' ASP . 1.6 p -122.66 144.91 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.484 ' CG ' HG22 ' A' ' 436' ' ' VAL . 1.1 mtmp? -76.81 164.38 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.628 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.2 tt0 -58.51 -43.45 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.93 83.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.955 ' HB2' HG22 ' A' ' 455' ' ' VAL . 79.9 m-20 -68.03 -32.49 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.46 ' CE3' HD22 ' A' ' 437' ' ' LEU . 4.3 t90 -51.06 -47.16 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -56.59 -25.9 53.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.43 ' C ' ' N ' ' A' ' 464' ' ' LYS . 15.2 mm100 -88.97 17.15 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.441 ' HA ' HD22 ' A' ' 466' ' ' LEU . 10.0 t60 -45.48 -22.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -58.12 -30.45 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 465' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -160.03 50.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.4 pt? -69.9 -30.8 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 mt-10 -55.4 -18.25 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 468' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.08 7.6 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.66 10.77 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.5 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.6 mtt180 -55.51 153.72 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.11 -179.45 32.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.52 151.1 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 7.4 p90 -157.62 149.55 17.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.586 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.62 -33.09 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -69.9 -7.34 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -105.98 1.59 26.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.802 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.26 -179.84 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.93 153.95 51.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -76.99 138.46 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 415' ' ' GLN . 70.2 t -116.39 115.91 39.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.661 ' NH2' ' CE1' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -117.37 147.14 42.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 0.794 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.5 pp -100.28 -37.73 8.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.573 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 1.8 m-20 -72.5 156.44 39.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 157.7 34.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.96 135.14 18.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.02 138.95 23.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.94 -22.65 17.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.6 t80 -36.36 151.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.422 ' SD ' HG12 ' A' ' 438' ' ' VAL . 10.1 mtt -112.37 -71.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.0 p90 -160.57 170.43 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -89.05 141.44 28.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.7 m -122.56 166.03 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 481' ' ' VAL . 2.1 tp-100 -131.43 119.68 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.71 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.43 145.56 54.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.01 -4.82 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.0 m-70 -143.93 169.45 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -107.42 104.31 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.759 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -112.89 104.0 11.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.52 113.99 14.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.759 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.62 117.85 35.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.0 p -116.26 93.29 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.49 -174.08 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.405 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 5.8 t -91.12 9.34 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 425' ' ' THR . 6.1 m-20 178.6 61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.6 OUTLIER -117.42 171.65 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.731 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -123.21 113.33 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.703 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.0 tt0 -80.0 137.53 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.06 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -129.14 137.69 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -119.02 131.47 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.44 101.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 49.44 1.97 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.563 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 30.5 t0 -114.41 171.26 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.5 m -119.28 124.53 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 430' ' ' LEU . 4.2 t -137.24 140.03 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.828 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -100.57 132.46 45.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 HG11 ' A' ' 414' ' ' VAL . 6.9 t -81.68 110.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.778 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -118.12 153.39 51.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.38 -172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -81.08 -32.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.09 146.85 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.97 19.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -27.14 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.19 -15.63 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.1 tt0 -77.65 147.64 35.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -109.97 138.72 45.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 112.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 107.64 -13.14 38.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.02 135.72 48.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -128.66 172.71 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.7 ttm -89.79 113.77 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.778 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.33 166.17 23.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.828 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.6 p -128.8 145.14 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.1 OUTLIER -77.1 160.41 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.559 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -59.58 -38.07 80.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -40.98 94.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 455' ' ' VAL . 6.9 m-20 -61.12 -32.22 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.76 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -51.64 -47.82 63.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -67.52 -25.04 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.464 ' C ' ' N ' ' A' ' 464' ' ' LYS . 58.0 mm-40 -85.99 18.31 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.661 ' CE1' ' NH2' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -44.86 -23.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.464 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.4 tttp -57.21 -30.23 64.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.14 45.58 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -32.79 73.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.28 -18.18 65.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -112.92 7.44 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -113.74 -9.42 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -59.55 151.83 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.731 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -168.29 179.68 41.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.5 t -124.13 152.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 452' ' ' LEU . 9.4 p90 -157.84 151.33 19.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.35 4.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.644 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.52 -35.18 78.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -65.09 -11.66 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -102.39 1.63 35.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -128.61 -179.63 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -129.05 148.2 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.1 mtm180 -84.67 130.34 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 415' ' ' GLN . 60.7 t -111.59 115.8 51.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.478 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -53.04 167.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.34 -24.82 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.428 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 62.9 m-20 -113.23 148.38 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.2 160.01 38.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo -75.05 135.01 18.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 139.87 24.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.67 -22.12 22.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.5 t80 -36.63 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.468 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.3 mtt -109.49 -71.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.9 p90 -159.2 178.98 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.641 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -98.56 143.4 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 481' ' ' VAL . 1.3 m -132.46 157.52 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.0 OUTLIER -123.97 127.54 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.95 139.36 52.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -109.67 -5.49 15.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.506 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 84.2 m-70 -141.6 169.58 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.566 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 3.3 p-10 -103.7 106.89 17.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 8.0 t80 -114.31 102.68 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.69 113.72 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.62 117.93 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.0 p -118.85 93.32 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 1.1 t70 -143.1 -174.9 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.2 t -94.08 7.68 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 30.7 m-20 -173.6 52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -119.2 171.92 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.736 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -125.65 120.52 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.67 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -84.92 140.52 31.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.109 HD11 HG21 ' A' ' 436' ' ' VAL . 4.4 mm? -130.41 147.83 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.72 131.37 46.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.4 100.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 97.42 49.56 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.536 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t0 -112.27 170.86 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.641 HG13 ' HE3' ' A' ' 413' ' ' LYS . 2.9 t -115.19 123.47 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.109 HG21 HD11 ' A' ' 430' ' ' LEU . 2.9 t -137.52 143.82 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -111.37 131.45 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 ' CG1' ' A' ' 414' ' ' VAL . 46.1 t -78.39 121.0 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.741 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -130.19 153.27 81.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 440' ' ' PRO . . . . . 0.418 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.4 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 470' ' ' ARG . 8.0 pt20 -81.66 -28.59 33.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -166.87 148.13 5.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.28 19.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -14.92 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.5 -14.64 19.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -89.36 150.91 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.07 174.17 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 115.43 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.16 -4.24 57.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.8 OUTLIER -133.08 137.8 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -132.71 172.63 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.47 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -88.11 113.58 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.42 166.31 23.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.933 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.7 p -129.97 145.64 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.466 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 11.1 mtmt -79.68 163.33 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.94 -44.8 87.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 t -57.08 -39.34 74.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.052 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.933 ' HB2' HG22 ' A' ' 455' ' ' VAL . 97.4 m-20 -69.22 -34.86 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.706 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.8 t90 -53.85 -39.7 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.55 -25.68 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' C ' ' N ' ' A' ' 464' ' ' LYS . 9.0 mm100 -91.37 18.75 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.428 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 10.3 t60 -44.29 -23.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.474 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.8 mttp -57.33 -29.56 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -159.95 51.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 466' ' ' LEU . 2.6 pt? -69.47 -30.68 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 19.3 mt-10 -55.63 -17.25 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.81 7.94 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 9.2 p -131.79 9.63 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 6.3 mtm180 -55.88 147.75 18.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.736 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -159.05 -178.89 33.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.62 156.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 0.804 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.598 ' CE1' HD13 ' A' ' 452' ' ' LEU . 8.5 p90 -160.73 148.7 12.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.863 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.0 OUTLIER -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -67.77 -9.47 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -104.82 1.1 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -125.98 176.43 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 415' ' ' GLN . 0.4 OUTLIER -122.55 139.01 54.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.468 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 9.7 mtm-85 -79.37 129.78 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.608 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 14.1 t -114.76 140.55 25.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.499 ' NE ' ' NE1' ' A' ' 460' ' ' TRP . 0.4 OUTLIER -104.65 -170.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.741 . . . . 0.0 110.26 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.7 pt? -126.32 -43.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.577 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 71.7 m-20 -115.84 155.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.6 160.61 58.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.99 136.88 20.99 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 139.89 24.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 89.39 -23.07 20.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 26.5 t80 -36.42 148.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.7 mtt -112.06 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.616 ' CE1' HG21 ' A' ' 438' ' ' VAL . 25.5 p90 -166.31 175.71 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.1 OUTLIER -97.18 146.22 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.0 m -129.42 162.44 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.4 OUTLIER -127.68 121.84 31.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 147.99 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -120.11 -1.48 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.4 m-70 -144.99 169.96 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 10.6 p-10 -110.74 101.68 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.64 109.44 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.15 113.97 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.59 116.62 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 34.8 p -119.94 93.84 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.9 t0 -141.56 -176.49 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.8 t -75.59 -15.56 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -157.0 44.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.762 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.83 167.2 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.598 HD22 ' O ' ' A' ' 454' ' ' GLY . 4.3 tp -127.02 113.28 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.03 132.07 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.829 HD11 ' CG2' ' A' ' 436' ' ' VAL . 2.2 mm? -125.21 142.69 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -124.73 128.2 48.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.67 102.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.93 49.83 1.87 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.528 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 4.4 t70 -113.13 169.17 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.4 m -120.11 120.79 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.829 ' CG2' HD11 ' A' ' 430' ' ' LEU . 25.0 t -134.49 148.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -112.26 133.3 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.616 HG21 ' CE1' ' A' ' 412' ' ' PHE . 52.0 t -79.3 119.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.03 153.35 78.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 440' ' ' PRO . . . . . 0.456 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.04 117.28 4.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.71 -173.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -24.18 31.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -167.8 146.99 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.74 19.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -18.26 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.46 -13.84 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.31 153.07 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.444 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 32.4 t0 -110.13 166.52 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.06 106.69 11.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 115.43 -23.04 11.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -118.21 133.71 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.91 170.43 10.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -87.51 113.41 23.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.38 163.58 24.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.852 HG22 ' HB2' ' A' ' 459' ' ' ASP . 6.6 p -127.45 143.66 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 436' ' ' VAL . 7.3 mtmp? -74.83 164.09 26.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.463 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.79 -41.19 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -45.1 96.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 455' ' ' VAL . 49.0 m-20 -68.4 -34.69 76.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.897 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.2 t90 -53.7 -48.58 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.2 -24.31 26.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 68.5 mm-40 -88.52 19.35 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.579 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.0 OUTLIER -43.91 -23.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 17.6 tttt -58.01 -30.83 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.6 42.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.1 pt? -69.91 -29.19 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.6 mt-10 -54.67 -18.02 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 7.59 45.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -130.92 9.19 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.9 mtt180 -54.9 151.43 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.417 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.93 179.47 33.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.74 160.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 15.3 p90 -163.66 154.46 13.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.25 -30.57 70.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -71.84 -6.84 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.904 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.8 1.92 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.904 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.98 179.9 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -126.6 142.61 51.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -81.91 129.56 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 61.6 t -106.61 117.35 57.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -67.4 -170.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.5 pt? -127.15 -41.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.406 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 33.7 m-20 -115.15 155.51 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.81 160.62 60.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.04 134.39 17.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.95 144.86 30.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.03 -24.73 10.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.2 t80 -36.24 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -107.24 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 34.9 p90 -157.01 176.9 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.497 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.6 OUTLIER -96.3 148.05 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -136.46 157.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 479' ' ' GLU . 0.0 OUTLIER -125.84 129.43 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -71.89 141.61 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -111.76 -2.36 15.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.466 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 87.4 m-70 -145.51 169.61 18.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.74 102.43 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.838 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -111.93 103.53 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.0 m -76.33 113.05 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.838 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.12 118.09 33.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.3 p -117.91 95.26 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.0 t0 -140.77 -175.69 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.5 t -85.0 -0.79 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -169.97 41.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.471 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.0 mm-40 -94.05 170.5 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.5 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.63 113.63 16.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.626 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -81.62 140.47 34.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.066 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.18 154.48 47.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -131.41 131.64 43.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.79 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 45.22 1.79 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.0 t0 -108.96 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 413' ' ' LYS . 3.8 t -112.47 128.32 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.066 ' CG2' HD11 ' A' ' 430' ' ' LEU . 2.5 t -138.0 148.3 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.866 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -118.01 125.48 50.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.608 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.0 t -76.82 119.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.74 153.25 77.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.3 OUTLIER -84.99 -29.91 24.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.409 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -160.36 147.5 12.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.45 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.98 -27.55 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.44 -14.26 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -81.37 150.51 28.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -114.9 155.0 27.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.63 110.47 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 106.08 -4.13 38.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -138.73 138.71 37.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.86 171.99 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.404 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -87.27 114.48 23.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.51 175.15 20.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.866 HG13 ' HG ' ' A' ' 437' ' ' LEU . 10.7 p -137.4 143.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.514 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -81.02 163.06 23.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -58.56 -38.79 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -46.5 86.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.525 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.6 m-20 -60.04 -32.8 71.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -52.11 -48.07 64.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -57.99 -25.84 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 57.5 mm-40 -89.63 16.91 7.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -23.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -57.91 -30.08 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.69 54.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -66.87 -31.41 71.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.22 -17.68 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -113.98 8.32 17.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 0.39 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.549 ' HG2' HD12 ' A' ' 466' ' ' LEU . 9.8 mtm180 -67.36 151.7 46.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.39 -178.85 37.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.67 150.01 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 11.4 p90 -154.11 146.78 17.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -69.95 -7.48 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.19 0.83 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.846 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.5 p -126.6 179.18 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 415' ' ' GLN . 0.5 OUTLIER -126.9 142.63 51.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtm180 -81.32 137.42 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.44 HG21 ' HZ1' ' A' ' 413' ' ' LYS . 44.7 t -125.14 115.84 25.88 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.413 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -73.45 -178.72 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.65 -38.35 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.62 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 7.4 m-20 -104.21 155.48 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.11 161.05 36.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.414 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo -75.06 134.46 17.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 141.54 26.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.812 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.47 -24.53 11.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.5 t80 -36.36 146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.1 mtt -107.06 -66.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.0 p90 -159.16 -179.92 8.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.801 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.7 OUTLIER -99.96 147.65 25.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -137.84 164.72 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 416' ' ' ALA . 0.1 OUTLIER -134.1 136.06 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.882 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -79.12 152.12 30.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -118.67 -0.39 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.6 m-70 -146.79 169.35 19.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.4 OUTLIER -106.28 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.897 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -108.26 106.82 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.02 113.7 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.897 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.66 116.79 30.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.2 p -118.55 93.87 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.449 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 4.4 t70 -142.5 -175.42 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.2 t -87.62 3.43 47.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -169.89 37.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -92.79 170.23 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.801 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -130.18 113.68 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.726 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.77 139.58 38.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.075 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -130.85 147.11 52.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -127.38 133.26 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.59 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.45 45.79 2.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.483 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 4.4 t70 -107.56 167.36 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.801 HG13 ' HE3' ' A' ' 413' ' ' LYS . 10.7 t -111.38 125.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 430' ' ' LEU . 2.4 t -137.46 139.89 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.41 126.17 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' A' ' 414' ' ' VAL . 39.0 t -74.61 118.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.09 152.91 76.48 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.46 -175.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -81.52 -30.61 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.75 147.38 11.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.75 19.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.4 OUTLIER -70.83 -23.1 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.9 mm-40 -89.86 -16.15 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -82.27 151.27 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.56 175.13 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -89.24 98.33 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 120.09 -23.1 8.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.582 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -117.66 135.49 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.76 171.98 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.45 113.12 22.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.01 167.08 22.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.4 p -128.75 142.29 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -78.79 162.44 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.76 -38.65 78.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -43.65 98.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 455' ' ' VAL . 21.7 m-20 -63.47 -32.76 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.567 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.6 t90 -51.76 -47.6 64.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.413 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 42.8 m-80 -56.2 -25.02 45.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 1.1 mp0 -88.47 17.48 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.62 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.4 OUTLIER -44.65 -23.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.592 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.0 ttmt -58.72 -34.81 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -155.28 48.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -69.03 -30.91 69.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 7.3 mt-10 -55.75 -17.67 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.29 7.53 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.49 7.98 5.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.438 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.9 mtm180 -55.83 153.41 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.801 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.74 178.5 38.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -125.67 161.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.464 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 11.0 p90 -164.04 156.17 14.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.582 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.429 1.752 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.963 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -66.98 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -63.57 -30.55 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 1.031 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.24 3.25 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 478' ' ' THR . . . . . 1.031 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -134.95 179.6 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -141.43 128.15 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 414' ' ' VAL . 6.0 ptt180 -75.78 140.77 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.83 121.2 53.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.578 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -61.23 -170.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.69 -41.96 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.412 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 12.9 m-20 -115.9 155.21 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.08 160.52 51.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo -75.03 134.48 17.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.95 138.98 23.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.31 -20.61 25.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 23.2 t80 -36.6 154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.527 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.9 mtt -113.08 -75.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.8 p90 -160.44 175.4 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 148.38 22.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -131.72 161.73 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 2.0 tp-100 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.12 136.54 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' GLN . . . . . 0.534 ' NE2' ' CD ' ' A' ' 479' ' ' GLU . 4.9 mt-30 -108.76 -5.61 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.512 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 85.8 m-70 -144.45 170.56 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.19 103.8 13.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.902 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -108.57 103.88 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.94 113.05 12.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.902 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.27 118.48 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.7 p -117.27 94.93 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.6 t0 -141.13 -175.38 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -86.83 3.1 46.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 39.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.19 170.26 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.771 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.01 113.47 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -84.68 136.11 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.91 145.53 51.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.46 132.29 53.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.91 106.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.27 41.5 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.764 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 5.2 t0 -104.57 163.21 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.79 118.06 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 414' ' ' VAL . 79.1 t -134.56 144.01 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.846 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -106.39 132.8 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.585 HG23 HG11 ' A' ' 414' ' ' VAL . 42.9 t -78.57 121.47 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.771 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.45 154.0 80.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 440' ' ' PRO . . . . . 0.411 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.94 -171.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.54 -20.96 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -172.64 146.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.69 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.68 -19.09 62.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -94.19 -13.06 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -89.07 151.52 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -110.17 159.84 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 449' ' ' GLU . 4.9 pt-20 -71.96 115.5 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.481 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.38 -0.33 55.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.29 138.88 38.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.08 172.6 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.0 ttm -88.93 115.53 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.771 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.94 169.54 22.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.846 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -134.88 144.56 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -75.23 159.87 31.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.52 -40.94 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -36.99 82.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.609 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.2 m-20 -67.88 -31.91 72.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.578 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 3.7 t90 -51.1 -47.49 61.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -56.2 -25.57 47.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 7.8 mm100 -88.25 17.23 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 13.0 t60 -44.95 -23.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.567 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 8.7 tmtt? -58.71 -34.37 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -152.72 50.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.408 ' H ' HD23 ' A' ' 466' ' ' LEU . 2.6 pt? -69.56 -29.88 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 25.7 mt-10 -54.89 -17.84 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.37 7.57 38.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.63 5.83 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.6 mtm180 -61.7 155.36 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.771 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.34 178.73 38.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.75 153.53 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.442 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 9.2 p90 -161.57 150.82 13.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 116.91 4.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.62 -34.49 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -66.48 -10.5 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.06 2.91 35.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -128.63 -179.61 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.534 ' CD ' ' NE2' ' A' ' 417' ' ' GLN . 2.4 tt0 -126.21 148.05 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.4 mtm180 -88.51 128.94 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.75 115.89 45.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.502 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -68.33 -171.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 403' ' ' ARG . 1.2 pt? -123.68 -40.37 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.421 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 3.3 m-20 -108.15 155.14 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.25 161.75 51.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.08 17.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.66 30.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.437 1.756 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.84 -22.65 16.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.4 t80 -36.84 148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.39 -68.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 27.1 p90 -159.25 -179.99 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 435' ' ' VAL . 0.9 OUTLIER -101.8 147.53 26.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -134.25 156.42 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.0 OUTLIER -121.69 131.11 53.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 1.122 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -73.12 137.93 45.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.86 -4.31 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.2 m-70 -142.77 170.32 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.97 104.11 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.831 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.77 105.1 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -76.04 114.72 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.831 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -109.88 117.79 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 36.2 p -116.48 93.18 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -143.31 -173.86 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 2.3 t -91.26 7.35 41.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.5 OUTLIER -178.8 61.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.46 ' C ' ' CD ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -118.59 171.75 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.403 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 11.4 tp -122.36 113.16 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' GLN . . . . . 0.505 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -81.24 130.05 34.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.122 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -122.49 142.18 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -123.99 128.57 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -35.09 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 95.07 52.91 1.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -114.44 177.39 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 413' ' ' LYS . 96.9 t -118.51 124.73 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.771 ' CG2' HD11 ' A' ' 430' ' ' LEU . 5.1 t -138.4 133.29 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.7 127.79 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 414' ' ' VAL . 59.9 t -76.44 120.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.764 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.34 153.76 80.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.7 -27.34 27.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -164.23 147.0 7.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.0 20.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -23.8 62.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.49 -16.35 30.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -81.61 150.72 27.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -115.31 164.11 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.85 116.03 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 102.39 -15.95 55.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -127.63 137.24 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.835 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.11 172.69 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.76 113.56 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.764 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.5 171.89 21.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -130.27 140.24 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 435' ' ' VAL . 19.9 mtmt -79.15 162.0 26.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 435' ' ' VAL . 5.5 tt0 -57.79 -42.14 83.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -45.95 87.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 455' ' ' VAL . 4.9 m-20 -60.36 -33.26 72.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.556 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.9 t90 -52.16 -46.3 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -53.47 -26.0 18.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 464' ' ' LYS . 2.1 mp0 -94.45 16.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 460' ' ' TRP . 0.9 OUTLIER -46.42 -21.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.4 ttmm -58.33 -31.97 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.59 55.06 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LEU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -70.73 -30.34 66.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.44 -17.8 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -109.48 9.06 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.79 12.45 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 152.71 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -154.41 -179.55 29.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.403 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.9 t -126.59 151.0 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 6.8 p90 -157.33 149.15 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.835 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.67 -31.28 71.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -70.07 -6.96 37.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.875 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.45 1.33 21.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.875 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -125.76 179.96 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 479' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 415' ' ' GLN . 15.5 tt0 -124.32 135.06 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -78.53 127.4 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.495 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 39.6 t -111.45 115.94 51.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 402' ' ' GLY . . . . . 0.441 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -104.36 141.83 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 404' ' ' LEU . . . . . 0.493 ' N ' ' HG3' ' A' ' 403' ' ' ARG . 1.3 pp -90.69 -37.23 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -71.64 156.21 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.62 158.63 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.93 135.89 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 133.8 17.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 93.15 -21.93 37.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 12.1 t80 -36.66 150.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.6 mtt -109.61 -71.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 30.0 p90 -158.64 179.77 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.527 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.62 151.31 20.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -133.18 164.61 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -132.22 118.79 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 1.03 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.09 150.41 48.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -122.4 -2.75 8.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.2 m-70 -145.48 169.81 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.37 99.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.83 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -106.91 104.49 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 112.8 12.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.83 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.85 118.46 34.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 17.3 p -117.58 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.19 -175.62 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.0 t -79.9 -13.27 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.29 45.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -92.19 169.98 10.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.455 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.7 tp -123.52 114.69 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.65 127.04 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 1.03 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -117.14 141.88 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -122.33 128.74 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.04 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.84 49.79 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -113.48 167.48 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.555 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.5 m -118.78 124.21 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 430' ' ' LEU . 46.5 t -136.73 150.37 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.721 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 130.54 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.605 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.7 t -78.37 122.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.96 153.56 78.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.65 -172.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.7 OUTLIER -82.36 -29.73 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.4 OUTLIER -162.6 146.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.18 19.87 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.92 -27.08 64.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.77 -13.14 46.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.19 148.23 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -111.45 148.31 33.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.7 109.21 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.45 -4.81 31.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -138.32 142.87 39.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -136.45 172.1 13.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 453' ' ' MET . . . . . 0.521 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.12 115.65 26.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.89 174.71 20.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.721 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -137.36 143.49 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -78.06 161.51 27.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.555 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -45.38 88.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.495 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.9 m-20 -59.4 -33.0 70.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.543 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -52.74 -48.18 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ASN . . . . . 0.441 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 61.1 m-80 -67.03 -24.04 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 7.7 mm100 -85.21 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.589 ' CD2' ' HD3' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.6 -23.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.6 -29.97 62.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 43.47 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.39 69.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -61.84 -18.43 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.76 7.42 14.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.37 -17.68 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -52.88 139.47 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 471' ' ' GLY . . . . . 0.521 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -155.02 -179.61 30.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.411 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.96 147.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CZ ' HD13 ' A' ' 452' ' ' LEU . 14.5 p90 -154.24 146.51 17.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -67.73 -31.08 70.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -70.6 -6.94 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.868 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.52 1.49 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.868 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -128.05 -179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.27 144.23 51.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -83.24 129.9 35.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' VAL . . . . . 0.527 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 66.5 t -111.08 115.86 52.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 403' ' ' ARG . . . . . 0.662 ' NH2' ' CE1' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -136.29 142.94 43.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.68 -35.78 10.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' ASP . . . . . 0.547 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 11.6 m-20 -73.46 155.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 158.36 32.06 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 135.23 18.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 138.28 22.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 409' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.58 -22.5 24.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.4 t80 -36.01 153.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.0 mtt -113.99 -70.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 412' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 438' ' ' VAL . 7.2 p90 -159.46 176.63 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' LYS . . . . . 0.656 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.94 150.21 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.9 m -132.49 166.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' GLN . . . . . 0.418 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 0.7 OUTLIER -132.79 124.77 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 416' ' ' ALA . . . . . 0.933 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -71.29 144.94 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -115.79 -2.67 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' HIS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.4 m-70 -148.06 169.43 19.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -104.67 103.25 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' TYR . . . . . 0.905 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -108.78 103.64 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.31 112.92 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' ALA . . . . . 0.905 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.96 118.04 33.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.5 p -117.47 95.15 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 424' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 8.9 t0 -140.77 -175.52 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 5.1 t -83.11 0.21 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -174.61 43.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLU . . . . . 0.426 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -91.99 170.34 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 454' ' ' GLY . 9.4 tp -121.61 114.79 21.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.65 132.42 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 430' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -125.56 152.07 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.9 134.78 48.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 432' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.95 98.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.49 49.37 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' ASP . . . . . 0.582 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 25.6 t70 -112.43 168.77 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' VAL . . . . . 0.656 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 5.3 m -118.76 123.0 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 414' ' ' VAL . 44.0 t -134.22 146.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -110.34 130.14 55.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 438' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 412' ' ' PHE . 47.5 t -77.97 121.62 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ILE . . . . . 0.744 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.28 153.11 80.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -21.2 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.45 147.86 1.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.368 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -16.55 20.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 -17.43 61.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.72 -10.57 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.14 153.05 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 14.7 t70 -110.87 170.06 8.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -82.72 114.64 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.38 -18.16 36.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -124.56 143.09 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 452' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -135.32 172.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.61 114.07 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLY . . . . . 0.744 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.66 174.23 20.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.661 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.4 p -134.96 142.94 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -79.1 160.18 27.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 457' ' ' GLU . . . . . 0.596 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -43.46 90.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 22.4 m-20 -59.92 -32.96 71.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.81 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -67.51 -25.02 65.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -86.56 19.35 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.662 ' CE1' ' NH2' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.37 -24.0 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.556 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.9 ttmt -56.95 -30.46 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -138.86 50.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -32.63 73.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -64.34 -21.9 66.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.45 7.41 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' CYS . . . . . 0.511 ' HG ' ' CG ' ' A' ' 459' ' ' ASP . 0.0 OUTLIER -111.54 -10.56 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 148.41 25.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.13 -179.91 35.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' VAL . . . . . 0.429 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -123.73 149.97 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.1 p90 -154.05 147.13 17.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.02 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 452' ' ' LEU . 4.6 tt0 -67.12 -30.09 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -71.26 -6.82 42.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.03 2.24 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 478' ' ' THR . . . . . 0.947 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.14 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 153.46 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 0.8 OUTLIER -89.7 139.17 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 99.4 t -106.36 129.59 24.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 141.2 26.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.07 35.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.5 t80 -36.99 151.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 438' ' ' VAL . 11.9 mtt -110.66 -72.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.4 p90 -162.96 178.15 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.6 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -94.52 143.53 26.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -124.77 166.03 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -132.86 119.08 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.1 156.12 34.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 12.1 mt-30 -126.33 1.33 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.9 m-70 -148.17 169.35 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.8 102.74 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.916 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -110.5 103.95 12.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.11 113.03 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.916 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.56 118.4 34.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.1 p -117.4 95.36 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.431 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 5.2 t70 -140.81 -175.73 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.4 t -81.86 -3.25 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -171.89 45.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.455 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.4 mm-40 -92.48 170.36 9.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.577 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.4 tp -121.41 113.58 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -85.34 125.02 32.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 0.4 OUTLIER -115.63 145.65 42.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.37 130.47 50.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.53 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 102.2 47.68 1.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.424 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.9 t0 -111.48 167.16 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 413' ' ' LYS . 2.4 m -119.57 123.26 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 39.6 t -135.46 146.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.19 132.58 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.664 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.4 t -82.25 118.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.703 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.02 152.62 79.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.75 -172.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.422 ' OE1' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.7 -25.9 37.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -169.72 147.95 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.42 20.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.95 -15.19 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -99.23 -7.98 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.55 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.88 151.86 20.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -103.43 173.41 6.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -84.26 110.24 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.58 2.73 56.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.909 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -134.29 137.07 43.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.99 171.55 12.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.18 116.15 27.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.703 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -141.36 163.83 26.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 459' ' ' ASP . 13.6 p -127.81 145.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.646 ' HG3' HG22 ' A' ' 436' ' ' VAL . 11.2 mtmt -70.66 164.41 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.514 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.0 tt0 -62.82 -42.06 99.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.86 -43.21 96.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.749 ' HB2' HG22 ' A' ' 455' ' ' VAL . 62.2 m-20 -59.83 -34.15 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.3 t90 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.016 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 442' ' ' GLN . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -152.83 -179.47 28.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -126.97 151.35 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -159.71 148.74 14.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -36.41 80.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -12.88 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -101.87 2.14 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.55 -179.79 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 7.8 tt0 -132.1 151.91 51.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.8 mtt180 -84.87 135.43 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.6 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 86.1 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.005 -0.421 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.93 27.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.07 -22.42 22.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 14.6 t80 -36.87 149.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -109.59 -69.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.3 p90 -161.1 -179.81 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.559 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -99.48 147.45 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.7 m -127.44 167.23 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.0 tp60 -132.65 118.98 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.699 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.18 150.05 49.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 10.2 mt-30 -120.83 -0.88 10.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.5 169.58 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -107.54 98.43 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.88 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -106.35 104.05 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.78 113.15 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.88 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.23 117.76 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.98 95.06 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -141.14 -175.49 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -84.52 -0.02 51.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -172.16 46.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.452 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -98.14 170.41 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.579 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -125.6 113.2 17.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.566 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.1 tt0 -81.63 137.86 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.037 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.1 mm? -129.5 141.66 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -120.22 133.58 55.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.9 100.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.02 48.38 1.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.463 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.5 t70 -112.26 171.0 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 457' ' ' GLU . 3.8 m -119.13 127.82 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.037 ' CG2' HD11 ' A' ' 430' ' ' LEU . 14.7 t -137.42 146.37 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.607 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.41 133.84 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.543 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.8 t -84.09 121.02 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.801 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.37 152.7 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.34 -174.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.436 ' NE2' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.95 -29.77 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -162.82 147.99 9.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.26 20.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.52 -22.21 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -89.13 -16.42 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -74.84 150.7 39.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -104.19 169.31 8.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 103.64 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.66 0.97 52.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.59 143.33 50.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -134.24 172.43 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.411 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.8 OUTLIER -89.4 117.73 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.801 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.26 173.49 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.4 p -133.96 144.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.2 mtmp? -77.97 158.93 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.627 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.0 tt0 -58.11 -39.26 78.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -35.78 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.848 ' HB2' HG22 ' A' ' 455' ' ' VAL . 76.2 m-20 -65.56 -33.66 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.527 ' HB2' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.436 ' NH2' ' NE2' ' A' ' 442' ' ' GLN . 2.7 mtm180 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.78 178.1 39.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.427 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.2 t -120.45 153.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.372 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 16.3 p90 -154.69 144.87 15.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.568 1.825 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.22 -36.68 82.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.68 -11.9 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -104.22 2.14 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.4 p -131.46 177.92 7.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.422 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 35.4 tt0 -129.0 148.07 50.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.0 mtm180 -82.43 134.83 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.559 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 96.2 t . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.919 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.02 141.9 27.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.85 -22.94 19.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.4 t80 -36.78 152.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.9 mtt -114.15 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 26.6 p90 -162.94 170.83 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.755 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -90.38 145.47 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.4 m -125.32 165.29 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -131.54 118.82 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.73 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.25 150.62 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -120.68 -2.21 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.9 169.39 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -101.79 108.33 19.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 11.3 t80 -115.09 102.91 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.98 113.94 18.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 117.84 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.5 p -118.32 93.63 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.435 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 6.1 t0 -142.79 -174.87 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.7 t -91.67 5.32 50.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.49 56.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.478 ' HG2' ' CB ' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -120.12 171.92 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -122.75 122.94 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.61 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -89.03 131.33 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.895 HD11 HG21 ' A' ' 436' ' ' VAL . 3.6 mm? -120.56 147.19 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -129.1 131.92 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.74 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.64 49.81 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.535 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t70 -113.87 170.42 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.755 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.3 OUTLIER -118.97 124.96 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 430' ' ' LEU . 3.1 t -136.03 139.49 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.16 133.28 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.526 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.4 t -83.18 111.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.0 152.35 59.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.8 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -17.85 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.09 148.39 0.92 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.0 -18.48 18.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -92.68 -7.12 47.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.4 150.94 21.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -102.38 175.01 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.47 108.66 18.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.17 7.87 54.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.645 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -138.64 139.49 38.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.96 171.32 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.509 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.6 OUTLIER -89.89 115.59 27.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.42 166.39 24.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.5 p -125.37 142.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 1.5 mtmp? -74.22 159.42 32.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.48 -39.48 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -38.28 87.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.7 m-20 -64.85 -33.71 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.61 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.6 t90 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 107.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.509 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -163.83 -179.82 38.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.4 151.27 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 15.3 p90 -154.59 145.76 16.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.43 -34.22 76.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -67.47 -9.78 45.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.913 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.43 1.56 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.913 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.85 178.59 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.14 151.1 51.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 6.5 mtm-85 -84.52 137.43 33.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.629 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 93.0 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 130.42 13.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 96.2 -18.99 56.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 30.5 t80 -36.87 152.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.1 mtt -110.23 -72.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 11.5 p90 -164.03 179.87 6.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -95.74 145.16 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.573 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -126.38 166.46 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -131.98 119.0 20.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.47 147.76 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -119.17 -4.22 10.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.2 m-70 -143.95 169.22 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.33 104.93 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.849 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.4 t80 -114.49 103.61 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -76.03 113.05 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.849 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.16 117.97 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 21.6 p -118.1 95.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 3.9 t0 -140.78 -175.88 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -80.78 -8.84 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -165.32 47.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.3 mm-40 -96.21 170.37 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -124.38 113.66 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.743 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -82.54 135.92 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.1 mm? -127.18 148.56 50.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.75 132.98 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -40.28 97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.76 47.92 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.569 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.9 t0 -110.92 170.33 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.598 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.5 m -119.77 122.96 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -137.23 149.7 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.75 133.71 53.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.573 HG23 ' CG1' ' A' ' 414' ' ' VAL . 27.5 t -83.38 121.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.711 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.47 153.58 80.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.9 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.6 -31.37 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.68 147.76 9.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.35 19.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -15.24 61.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.3 -12.41 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -88.62 151.56 22.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -107.93 158.71 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.45 107.54 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.87 -2.41 30.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -137.77 140.8 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.26 172.65 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -86.74 120.17 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.711 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -143.62 160.97 27.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.6 p -125.88 145.77 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 436' ' ' VAL . 1.5 mtmp? -71.66 166.03 22.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.598 ' CB ' HG23 ' A' ' 435' ' ' VAL . 12.2 tt0 -61.76 -41.58 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.77 -43.61 88.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.958 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -61.39 -33.65 74.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.607 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.6 t90 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 107.99 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.565 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -160.48 -179.35 35.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -125.82 150.03 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.521 ' HZ ' HG22 ' A' ' 438' ' ' VAL . 10.6 p90 -154.23 147.65 18.39 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.99 118.39 5.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.653 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.54 -34.19 76.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.35 -9.85 45.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.895 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.79 1.53 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.895 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.53 178.39 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.45 147.37 51.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 132.98 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.443 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 81.7 t . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.853 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.32 26.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.07 -21.99 21.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.3 t80 -36.56 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.443 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 11.6 mtt -111.79 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.8 p90 -162.36 173.72 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 140.29 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.643 HG11 HG23 ' A' ' 438' ' ' VAL . 1.3 m -123.95 165.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -133.87 121.75 22.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.93 150.08 49.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -120.76 -1.21 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.61 169.35 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.93 105.85 16.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.895 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.28 105.31 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.35 113.1 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.98 33.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.94 95.12 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.5 t70 -140.72 -175.67 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -82.76 -1.95 53.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -172.26 46.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.2 mm-40 -95.28 170.38 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -123.95 113.69 18.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.846 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.8 tt0 -81.74 137.45 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.049 HD11 HG21 ' A' ' 436' ' ' VAL . 3.1 mm? -127.6 143.77 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.26 131.54 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.24 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.13 48.01 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.561 ' OD2' HD13 ' A' ' 430' ' ' LEU . 19.6 t0 -109.79 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.7 m -119.33 121.73 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 430' ' ' LEU . 71.0 t -137.14 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.886 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.36 133.14 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.643 HG23 HG11 ' A' ' 414' ' ' VAL . 8.7 t -79.69 119.83 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.97 153.13 80.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . 0.413 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.74 -176.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -34.01 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -154.08 143.4 15.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.47 18.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.9 -15.64 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -77.8 149.9 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -108.46 170.46 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -82.55 108.96 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.88 2.61 56.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -135.04 135.44 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.466 HD23 ' NE2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -128.62 171.16 12.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.4 ttm -88.69 113.77 24.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.97 170.71 21.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.886 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -133.97 142.08 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.496 ' HG3' HG22 ' A' ' 436' ' ' VAL . 2.8 mtmp? -74.75 161.13 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.6 tt0 -58.83 -42.74 89.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -40.12 92.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -64.77 -32.08 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.725 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.596 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -159.26 -179.63 34.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -124.17 150.49 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.512 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.7 p90 -154.33 147.52 18.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.04 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -32.54 73.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.91 -8.81 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -107.07 0.77 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -126.97 -179.75 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -132.35 149.49 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 8.6 mtm-85 -86.87 136.88 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 92.6 t . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.85 27.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.92 30.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 29.6 t80 -36.47 154.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.6 mtt -116.44 -69.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 17.0 p90 -163.9 177.15 8.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.615 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -95.93 146.41 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.753 ' CG1' HG23 ' A' ' 438' ' ' VAL . 0.9 OUTLIER -126.79 165.7 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.5 tp60 -129.27 119.66 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.72 146.18 54.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.21 -3.28 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -146.11 169.39 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.18 101.91 11.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -107.18 103.81 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -77.22 112.8 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.26 118.24 34.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -117.53 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.7 t70 -140.67 -175.65 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -81.06 -4.16 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.37 44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.445 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.1 mm-40 -91.7 170.25 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 454' ' ' GLY . 5.6 tp -121.39 114.92 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.428 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 5.4 tt0 -88.3 133.47 34.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.4 OUTLIER -126.64 151.4 48.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 134.49 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.06 100.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.84 44.26 2.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.56 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.5 t70 -110.04 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.615 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.1 m -115.23 126.95 72.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 430' ' ' LEU . 12.0 t -137.56 138.7 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -99.28 133.11 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.753 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -84.86 111.49 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.705 HD12 HG12 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -121.78 152.97 59.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.33 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -90.39 -8.07 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.407 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER 179.52 148.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.407 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.92 19.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.72 -28.04 65.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.83 -7.6 58.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.4 tt0 -86.21 148.9 25.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.25 158.99 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.13 107.44 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.52 5.57 53.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.71 143.4 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.23 171.87 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.56 113.69 25.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.698 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.15 172.06 23.1 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.2 p -136.71 145.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.498 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 6.3 mtmp? -74.06 163.79 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 435' ' ' VAL . 5.6 tt0 -61.95 -46.48 89.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -38.26 74.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.0 m-20 -66.55 -33.76 76.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.54 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.4 t90 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -151.57 -179.28 27.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.31 148.89 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.449 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.9 p90 -158.56 149.82 16.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.05 118.01 5.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.58 -33.57 75.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -68.18 -9.14 44.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.84 3.61 28.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -129.24 -179.45 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -132.92 146.57 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -83.11 134.04 35.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' A' ' 415' ' ' GLN . 89.3 t . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 144.54 30.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.05 -18.04 38.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.6 t80 -36.86 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.7 mtt -110.96 -71.86 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.8 p90 -162.38 179.82 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -96.74 147.77 23.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.4 m -130.68 166.76 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 4.4 tp60 -131.8 124.58 29.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.659 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -71.15 150.17 45.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.01 -2.85 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.2 m-70 -144.56 170.03 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 102.56 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.825 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -109.87 106.06 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -79.49 113.49 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.825 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.55 118.12 35.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -115.4 93.42 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -143.52 -174.04 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -90.06 7.95 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 t70 178.11 62.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -115.73 171.6 7.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 430' ' ' LEU . 3.2 tp -120.55 113.3 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.477 ' C ' HD22 ' A' ' 430' ' ' LEU . 5.1 tt0 -83.18 131.74 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -122.94 140.69 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.06 130.85 53.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.81 101.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 96.42 51.57 1.69 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.1 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 7.8 t0 -114.3 171.76 7.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.537 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.3 m -119.47 124.45 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 430' ' ' LEU . 8.2 t -136.16 146.25 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.42 131.28 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.458 HG23 ' CG1' ' A' ' 414' ' ' VAL . 15.2 t -80.91 118.93 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.729 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.21 152.69 79.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.16 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -29.2 40.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -159.91 143.78 10.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.3 Cg_endo -75.03 -19.47 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -14.73 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.84 -2.84 43.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.66 152.59 19.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.409 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 12.8 t70 -102.7 168.19 9.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 102.46 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.03 -7.98 29.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.586 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -126.73 138.97 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.48 172.18 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -89.82 115.77 27.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.66 171.77 23.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.3 p -133.27 145.36 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.1 OUTLIER -80.53 162.01 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.537 ' CB ' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -58.48 -35.54 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -47.22 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 455' ' ' VAL . 39.4 m-20 -60.52 -33.6 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.421 ' CE3' HD13 ' A' ' 437' ' ' LEU . 5.4 t90 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.413 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -159.35 -179.81 34.43 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.417 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.14 149.45 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.5 p90 -156.69 146.56 15.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.453 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.69 -33.54 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -68.04 -9.0 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.876 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.82 1.96 25.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.876 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.79 179.81 5.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -131.89 144.87 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.2 mtm180 -79.64 139.61 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.501 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 82.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.004 -0.422 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.04 131.21 13.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 98.03 -19.27 55.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.6 t80 -37.07 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 438' ' ' VAL . 10.3 mtt -113.93 -72.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 9.1 p90 -161.47 172.78 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.869 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -92.74 144.25 25.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -124.43 165.86 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.2 tp60 -130.16 118.46 21.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.74 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -64.3 150.28 46.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.98 -1.78 9.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.5 m-70 -145.84 169.52 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -107.48 99.12 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -107.14 103.63 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.92 112.5 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.37 118.12 33.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.1 p -117.48 95.23 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.7 t70 -141.02 -175.54 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.2 t -80.03 -13.29 59.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 3.4 p-10 -161.18 45.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.9 mm-40 -92.19 170.28 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.8 tp -124.26 113.99 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.705 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -84.13 133.23 34.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.1 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -125.23 137.0 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -117.68 129.77 55.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.42 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.4 48.55 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 9.8 t0 -113.3 170.21 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.869 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.2 OUTLIER -119.32 124.5 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.1 HG21 HD11 ' A' ' 430' ' ' LEU . 44.1 t -136.26 140.54 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.789 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -101.38 132.47 46.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 HG11 ' A' ' 414' ' ' VAL . 4.1 t -82.99 113.18 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.735 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -122.15 153.46 61.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -57.05 -172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -9.22 52.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 147.94 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.44 19.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.11 -26.78 64.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -88.04 -4.22 58.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -87.4 150.94 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -107.25 169.44 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.27 97.1 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 476' ' ' ASN . . . 109.42 1.09 31.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -133.09 144.34 49.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -136.94 172.71 12.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.13 116.7 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.735 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -139.49 164.74 25.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.789 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.8 p -127.1 145.74 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -74.7 164.16 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 435' ' ' VAL . 16.5 tt0 -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -45.33 90.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 28.5 m-20 -59.92 -33.79 72.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.705 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.2 t90 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.98 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -156.4 179.99 31.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -124.21 152.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 10.3 p90 -158.16 147.53 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 116.3 4.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.59 -32.02 72.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 450' ' ' GLY . 3.3 p30 -68.66 -9.6 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.833 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.33 2.03 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.833 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -127.29 178.64 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.69 144.12 51.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -80.09 134.57 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 32.9 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 138.78 23.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.25 -22.08 21.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.45 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.15 -69.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 26.3 p90 -157.2 -179.91 8.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.504 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.2 OUTLIER -101.69 146.83 27.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.549 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -127.22 164.34 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.3 tp60 -133.25 119.46 19.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.846 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 155.94 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -126.1 0.77 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.22 169.97 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.25 102.11 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.7 t80 -114.57 109.92 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 4.5 m -79.22 113.75 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.97 116.77 30.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.0 p -119.59 93.61 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -141.56 -175.77 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.9 t -78.33 -14.38 59.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -156.44 42.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.668 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -92.04 168.19 11.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 454' ' ' GLY . 7.3 tp -129.02 113.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.743 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.38 136.04 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.12 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.62 139.5 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -121.23 130.11 53.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.07 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.67 51.06 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 35.1 t70 -113.26 166.13 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 457' ' ' GLU . 13.7 m -118.79 124.41 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.12 HG21 HD11 ' A' ' 430' ' ' LEU . 98.3 t -135.43 148.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.64 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.98 131.69 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.549 HG23 ' CG1' ' A' ' 414' ' ' VAL . 9.9 t -80.05 114.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.57 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -125.48 152.33 71.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -86.33 -17.83 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.89 148.67 1.72 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.11 19.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.77 -17.95 61.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 -7.04 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.552 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -93.77 152.97 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 36.1 t0 -107.77 171.36 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.08 105.7 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 106.86 -13.87 41.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -119.72 135.94 54.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -125.32 170.46 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.61 113.44 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.57 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.99 164.85 24.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.2 p -125.65 143.54 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.455 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -75.54 161.45 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.638 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.8 tt0 -58.48 -40.56 83.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -40.07 96.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.922 ' HB2' HG22 ' A' ' 455' ' ' VAL . 11.5 m-20 -61.25 -32.99 72.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.64 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.034 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.36 179.94 40.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.39 157.99 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 18.9 p90 -159.08 152.72 19.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -33.93 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -64.6 -21.39 66.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.975 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -94.52 0.53 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.975 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.21 179.71 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -130.92 150.14 52.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.8 mtt180 -86.09 129.97 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.504 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 91.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 137.19 21.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.6 -22.66 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.1 t80 -36.29 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.7 mtt -110.97 -71.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.3 p90 -159.84 177.57 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 147.41 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.867 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.5 m -130.5 166.71 27.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.8 tp60 -133.46 121.67 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.77 150.05 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -121.96 -3.3 9.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.9 m-70 -143.92 169.41 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -108.21 100.47 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -109.24 104.25 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.4 m -75.73 113.09 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.32 118.26 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -117.61 94.82 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.47 -175.19 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 3.6 p-10 -160.73 41.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -91.33 170.27 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.704 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.03 117.19 21.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.778 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -85.11 137.68 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.4 mm? -129.2 139.76 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -120.15 131.81 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -39.94 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 48.57 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.9 t0 -113.97 167.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.2 m -116.2 122.19 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.867 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 t -135.46 141.71 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.9 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.57 131.87 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.618 HG23 HG13 ' A' ' 414' ' ' VAL . 35.3 t -78.46 120.07 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.773 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.85 152.61 77.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.17 -175.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -80.99 -21.31 40.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.3 147.98 3.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.74 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.51 -20.47 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -1.27 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.494 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -96.85 152.8 18.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.97 170.85 7.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.34 100.17 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 108.93 -0.94 31.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.087 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -128.19 144.69 51.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -136.36 172.21 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.419 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -89.53 113.92 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.773 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.14 171.74 20.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.9 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.9 p -137.28 142.75 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.663 ' HD3' HD11 ' A' ' 428' ' ' LEU . 0.0 OUTLIER -75.94 160.4 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' A' ' 435' ' ' VAL . 6.9 tt0 -58.72 -41.3 86.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -38.65 86.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.537 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -67.5 -31.51 71.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.808 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.026 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.704 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -156.76 -179.1 31.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.7 t -121.23 153.55 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 452' ' ' LEU . 12.4 p90 -160.37 150.76 15.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.886 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.5 tt0 -67.58 -33.97 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -10.65 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.97 1.47 31.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -127.84 -179.93 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -128.18 147.64 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -84.29 134.45 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.408 HG21 ' HB2' ' A' ' 415' ' ' GLN . 92.6 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 139.35 24.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.32 -22.35 27.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.103 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 35.2 t80 -36.82 152.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -113.22 -65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 34.3 p90 -164.0 177.05 8.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.627 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.1 OUTLIER -96.41 141.86 29.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.1 m -130.75 163.02 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 481' ' ' VAL . 0.6 OUTLIER -134.04 128.31 34.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.49 148.1 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . 0.4 ' NE2' ' HG3' ' A' ' 479' ' ' GLU . 9.8 mt-30 -117.66 -1.33 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.92 170.84 15.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.593 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.75 104.82 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.889 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.9 t80 -114.69 103.59 11.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -76.62 113.03 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.889 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.29 118.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 72.7 p -117.73 94.87 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.8 t70 -140.85 -175.71 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.4 t -86.12 3.93 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.87 39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.47 170.06 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 430' ' ' LEU . 1.3 tp -122.55 113.76 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.599 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.4 tt0 -84.62 135.8 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' A' ' 436' ' ' VAL . 4.1 mm? -130.68 147.75 52.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.42 127.93 41.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -31.9 104.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 48.05 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.613 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -110.96 167.66 10.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.628 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.3 m -119.6 122.36 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 430' ' ' LEU . 78.1 t -135.91 149.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.627 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -79.28 120.69 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.688 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.57 154.14 80.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.57 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -82.96 -31.11 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.77 146.66 11.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.66 19.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.1 OUTLIER -69.34 -24.29 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.5 mt-10 -89.66 -15.38 32.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.6 tt0 -79.65 149.6 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.52 134.58 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.68 117.85 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.26 57.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -129.29 140.35 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.38 172.07 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.452 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.29 113.91 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.688 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.78 160.01 24.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 459' ' ' ASP . 1.6 p -122.66 144.91 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.484 ' CG ' HG22 ' A' ' 436' ' ' VAL . 1.1 mtmp? -76.81 164.38 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.628 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.2 tt0 -58.51 -43.45 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.93 83.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.955 ' HB2' HG22 ' A' ' 455' ' ' VAL . 79.9 m-20 -68.03 -32.49 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.46 ' CE3' HD22 ' A' ' 437' ' ' LEU . 4.3 t90 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.11 -179.45 32.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.52 151.1 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 7.4 p90 -157.62 149.55 17.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.586 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.62 -33.09 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.9 -7.34 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -105.98 1.59 26.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.802 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.26 -179.84 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.4 ' HG3' ' NE2' ' A' ' 417' ' ' GLN . 0.4 OUTLIER -133.93 153.95 51.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -76.99 138.46 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 415' ' ' GLN . 70.2 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.02 138.95 23.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.94 -22.65 17.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.6 t80 -36.36 151.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.422 ' SD ' HG12 ' A' ' 438' ' ' VAL . 10.1 mtt -112.37 -71.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.0 p90 -160.57 170.43 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -89.05 141.44 28.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.7 m -122.56 166.03 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 481' ' ' VAL . 26.1 tp60 -131.43 119.68 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.71 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.43 145.56 54.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.01 -4.82 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.0 m-70 -143.93 169.45 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -107.42 104.31 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.759 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -112.89 104.0 11.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.52 113.99 14.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.759 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.62 117.85 35.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.0 p -116.26 93.29 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.49 -174.08 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . 0.405 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 5.8 t -91.12 9.34 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 425' ' ' THR . 6.1 m-20 178.6 61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.6 OUTLIER -117.42 171.65 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.731 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -123.21 113.33 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.703 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.0 tt0 -80.0 137.53 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.06 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -129.14 137.69 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -119.02 131.47 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.44 101.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 49.44 1.97 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.563 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 30.5 t0 -114.41 171.26 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.5 m -119.28 124.53 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 430' ' ' LEU . 4.2 t -137.24 140.03 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.828 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -100.57 132.46 45.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 HG11 ' A' ' 414' ' ' VAL . 6.9 t -81.68 110.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.778 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -118.12 153.39 51.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.38 -172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -81.08 -32.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.09 146.85 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.97 19.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -27.14 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.19 -15.63 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.1 tt0 -77.65 147.64 35.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -109.97 138.72 45.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 112.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 107.64 -13.14 38.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.02 135.72 48.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -128.66 172.71 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.7 ttm -89.79 113.77 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.778 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.33 166.17 23.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.828 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.6 p -128.8 145.14 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.1 OUTLIER -77.1 160.41 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.559 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -59.58 -38.07 80.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -40.98 94.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 455' ' ' VAL . 6.9 m-20 -61.12 -32.22 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.76 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.005 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.731 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -168.29 179.68 41.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.5 t -124.13 152.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 452' ' ' LEU . 9.4 p90 -157.84 151.33 19.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.35 4.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.644 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.52 -35.18 78.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -11.66 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -102.39 1.63 35.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -128.61 -179.63 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -129.05 148.2 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.1 mtm180 -84.67 130.34 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 415' ' ' GLN . 60.7 t . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 139.87 24.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.67 -22.12 22.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.5 t80 -36.63 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.468 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.3 mtt -109.49 -71.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.9 p90 -159.2 178.98 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.641 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -98.56 143.4 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 481' ' ' VAL . 1.3 m -132.46 157.52 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -123.97 127.54 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.95 139.36 52.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -109.67 -5.49 15.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.506 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 84.2 m-70 -141.6 169.58 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.566 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 3.3 p-10 -103.7 106.89 17.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 8.0 t80 -114.31 102.68 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.69 113.72 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.62 117.93 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.0 p -118.85 93.32 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 1.1 t70 -143.1 -174.9 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.2 t -94.08 7.68 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 30.7 m-20 -173.6 52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -119.2 171.92 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.736 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -125.65 120.52 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.67 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -84.92 140.52 31.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.109 HD11 HG21 ' A' ' 436' ' ' VAL . 4.4 mm? -130.41 147.83 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.72 131.37 46.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.4 100.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 97.42 49.56 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.536 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t0 -112.27 170.86 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.641 HG13 ' HE3' ' A' ' 413' ' ' LYS . 2.9 t -115.19 123.47 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.109 HG21 HD11 ' A' ' 430' ' ' LEU . 2.9 t -137.52 143.82 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -111.37 131.45 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 ' CG1' ' A' ' 414' ' ' VAL . 46.1 t -78.39 121.0 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.741 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -130.19 153.27 81.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . 0.418 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.4 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 470' ' ' ARG . 8.0 pt20 -81.66 -28.59 33.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.87 148.13 5.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.28 19.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -14.92 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.5 -14.64 19.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -89.36 150.91 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.07 174.17 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 115.43 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.16 -4.24 57.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.8 OUTLIER -133.08 137.8 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -132.71 172.63 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.47 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -88.11 113.58 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.42 166.31 23.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.933 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.7 p -129.97 145.64 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.466 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 11.1 mtmt -79.68 163.33 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.94 -44.8 87.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 t -57.08 -39.34 74.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.052 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.933 ' HB2' HG22 ' A' ' 455' ' ' VAL . 97.4 m-20 -69.22 -34.86 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.706 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.8 t90 . . . . . 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' A' ' 442' ' ' GLN . 6.3 mtm180 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.736 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -159.05 -178.89 33.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.62 156.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 0.804 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.598 ' CE1' HD13 ' A' ' 452' ' ' LEU . 8.5 p90 -160.73 148.7 12.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.863 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.0 OUTLIER -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -67.77 -9.47 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -104.82 1.1 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -125.98 176.43 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 415' ' ' GLN . 0.4 OUTLIER -122.55 139.01 54.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.468 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 9.7 mtm-85 -79.37 129.78 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.608 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 14.1 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.879 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 139.89 24.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 89.39 -23.07 20.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 26.5 t80 -36.42 148.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.7 mtt -112.06 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.616 ' CE1' HG21 ' A' ' 438' ' ' VAL . 25.5 p90 -166.31 175.71 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.1 OUTLIER -97.18 146.22 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.0 m -129.42 162.44 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 11.5 tp60 -127.68 121.84 31.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 147.99 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -120.11 -1.48 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.4 m-70 -144.99 169.96 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 10.6 p-10 -110.74 101.68 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.64 109.44 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.15 113.97 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.59 116.62 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 34.8 p -119.94 93.84 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.9 t0 -141.56 -176.49 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.8 t -75.59 -15.56 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -157.0 44.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.762 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.83 167.2 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.598 HD22 ' O ' ' A' ' 454' ' ' GLY . 4.3 tp -127.02 113.28 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.03 132.07 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.829 HD11 ' CG2' ' A' ' 436' ' ' VAL . 2.2 mm? -125.21 142.69 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -124.73 128.2 48.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.67 102.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.93 49.83 1.87 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.528 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 4.4 t70 -113.13 169.17 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.4 m -120.11 120.79 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.829 ' CG2' HD11 ' A' ' 430' ' ' LEU . 25.0 t -134.49 148.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -112.26 133.3 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.616 HG21 ' CE1' ' A' ' 412' ' ' PHE . 52.0 t -79.3 119.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.03 153.35 78.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . 0.456 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.04 117.28 4.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.71 -173.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -24.18 31.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.8 146.99 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.74 19.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -18.26 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.46 -13.84 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.31 153.07 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.444 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 32.4 t0 -110.13 166.52 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.06 106.69 11.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 115.43 -23.04 11.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -118.21 133.71 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.91 170.43 10.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -87.51 113.41 23.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.38 163.58 24.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.852 HG22 ' HB2' ' A' ' 459' ' ' ASP . 6.6 p -127.45 143.66 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 436' ' ' VAL . 7.3 mtmp? -74.83 164.09 26.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.463 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.79 -41.19 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -45.1 96.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 455' ' ' VAL . 49.0 m-20 -68.4 -34.69 76.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.897 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.2 t90 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.022 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.9 mtt180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.417 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.93 179.47 33.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.74 160.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 15.3 p90 -163.66 154.46 13.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.25 -30.57 70.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -6.84 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.904 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.8 1.92 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.904 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.98 179.9 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -126.6 142.61 51.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -81.91 129.56 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 61.6 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.95 144.86 30.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.03 -24.73 10.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.2 t80 -36.24 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -107.24 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 34.9 p90 -157.01 176.9 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.497 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.6 OUTLIER -96.3 148.05 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -136.46 157.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 479' ' ' GLU . 0.2 OUTLIER -125.84 129.43 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -71.89 141.61 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -111.76 -2.36 15.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.466 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 87.4 m-70 -145.51 169.61 18.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.74 102.43 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.838 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -111.93 103.53 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.0 m -76.33 113.05 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.838 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.12 118.09 33.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.3 p -117.91 95.26 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.0 t0 -140.77 -175.69 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.5 t -85.0 -0.79 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -169.97 41.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.471 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.0 mm-40 -94.05 170.5 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.5 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.63 113.63 16.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.626 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -81.62 140.47 34.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.066 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.18 154.48 47.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -131.41 131.64 43.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.79 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 45.22 1.79 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.0 t0 -108.96 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 413' ' ' LYS . 3.8 t -112.47 128.32 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.066 ' CG2' HD11 ' A' ' 430' ' ' LEU . 2.5 t -138.0 148.3 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.866 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -118.01 125.48 50.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.608 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.0 t -76.82 119.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.74 153.25 77.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.3 OUTLIER -84.99 -29.91 24.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.409 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -160.36 147.5 12.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.45 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.98 -27.55 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.44 -14.26 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -81.37 150.51 28.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -114.9 155.0 27.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.63 110.47 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 106.08 -4.13 38.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -138.73 138.71 37.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.86 171.99 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.404 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -87.27 114.48 23.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.51 175.15 20.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.866 HG13 ' HG ' ' A' ' 437' ' ' LEU . 10.7 p -137.4 143.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.514 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -81.02 163.06 23.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -58.56 -38.79 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -46.5 86.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.525 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.6 m-20 -60.04 -32.8 71.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.39 -178.85 37.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.67 150.01 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 11.4 p90 -154.11 146.78 17.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -7.48 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.19 0.83 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.846 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.5 p -126.6 179.18 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 415' ' ' GLN . 0.5 OUTLIER -126.9 142.63 51.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtm180 -81.32 137.42 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.44 HG21 ' HZ1' ' A' ' 413' ' ' LYS . 44.7 t . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.414 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.896 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 141.54 26.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.812 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.47 -24.53 11.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.5 t80 -36.36 146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.1 mtt -107.06 -66.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.0 p90 -159.16 -179.92 8.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.801 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.7 OUTLIER -99.96 147.65 25.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -137.84 164.72 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -134.1 136.06 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.882 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -79.12 152.12 30.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -118.67 -0.39 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.6 m-70 -146.79 169.35 19.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.4 OUTLIER -106.28 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.897 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -108.26 106.82 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.02 113.7 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.897 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.66 116.79 30.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.2 p -118.55 93.87 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.449 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 4.4 t70 -142.5 -175.42 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.2 t -87.62 3.43 47.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -169.89 37.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -92.79 170.23 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.801 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -130.18 113.68 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.726 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.77 139.58 38.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.075 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -130.85 147.11 52.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -127.38 133.26 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.59 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.45 45.79 2.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.483 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 4.4 t70 -107.56 167.36 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.801 HG13 ' HE3' ' A' ' 413' ' ' LYS . 10.7 t -111.38 125.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 430' ' ' LEU . 2.4 t -137.46 139.89 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.41 126.17 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' A' ' 414' ' ' VAL . 39.0 t -74.61 118.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.09 152.91 76.48 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.46 -175.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -81.52 -30.61 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.75 147.38 11.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.75 19.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.4 OUTLIER -70.83 -23.1 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.9 mm-40 -89.86 -16.15 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -82.27 151.27 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.56 175.13 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -89.24 98.33 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 120.09 -23.1 8.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.582 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -117.66 135.49 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.76 171.98 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.45 113.12 22.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.01 167.08 22.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.4 p -128.75 142.29 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -78.79 162.44 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.76 -38.65 78.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -43.65 98.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 455' ' ' VAL . 21.7 m-20 -63.47 -32.76 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.491 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.6 t90 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 107.995 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.801 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.74 178.5 38.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -125.67 161.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.464 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 11.0 p90 -164.04 156.17 14.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.582 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.429 1.752 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.963 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -66.98 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -63.57 -30.55 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 1.031 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.24 3.25 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 1.031 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -134.95 179.6 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -141.43 128.15 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 414' ' ' VAL . 6.0 ptt180 -75.78 140.77 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 110.963 -0.437 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.95 138.98 23.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.31 -20.61 25.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 23.2 t80 -36.6 154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.527 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.9 mtt -113.08 -75.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.8 p90 -160.44 175.4 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 148.38 22.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -131.72 161.73 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.7 tp60 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.12 136.54 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . 0.438 ' CG ' ' HB2' ' A' ' 479' ' ' GLU . 11.1 mt-30 -108.76 -5.61 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.512 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 85.8 m-70 -144.45 170.56 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.19 103.8 13.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.902 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -108.57 103.88 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.94 113.05 12.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.902 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.27 118.48 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.7 p -117.27 94.93 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.6 t0 -141.13 -175.38 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -86.83 3.1 46.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 39.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.19 170.26 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.771 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.01 113.47 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -84.68 136.11 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.91 145.53 51.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.46 132.29 53.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.91 106.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.27 41.5 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.764 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 5.2 t0 -104.57 163.21 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.79 118.06 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 414' ' ' VAL . 79.1 t -134.56 144.01 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.846 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -106.39 132.8 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.585 HG23 HG11 ' A' ' 414' ' ' VAL . 42.9 t -78.57 121.47 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.771 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.45 154.0 80.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . 0.411 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.94 -171.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.54 -20.96 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.64 146.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.69 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.68 -19.09 62.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -94.19 -13.06 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -89.07 151.52 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -110.17 159.84 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 449' ' ' GLU . 4.9 pt-20 -71.96 115.5 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.481 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.38 -0.33 55.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.29 138.88 38.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.08 172.6 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.0 ttm -88.93 115.53 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.771 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.94 169.54 22.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.846 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -134.88 144.56 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -75.23 159.87 31.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.52 -40.94 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -36.99 82.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.609 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.2 m-20 -67.88 -31.91 72.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.523 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 107.978 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.771 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.34 178.73 38.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.75 153.53 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.442 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 9.2 p90 -161.57 150.82 13.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 116.91 4.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.62 -34.49 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -66.48 -10.5 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.06 2.91 35.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -128.63 -179.61 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 417' ' ' GLN . 2.4 tt0 -126.21 148.05 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.4 mtm180 -88.51 128.94 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 71.1 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.864 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.66 30.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.437 1.756 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.84 -22.65 16.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.4 t80 -36.84 148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.39 -68.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 27.1 p90 -159.25 -179.99 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 435' ' ' VAL . 0.9 OUTLIER -101.8 147.53 26.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -134.25 156.42 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -121.69 131.11 53.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 1.122 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -73.12 137.93 45.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.86 -4.31 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.2 m-70 -142.77 170.32 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.97 104.11 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.831 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.77 105.1 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -76.04 114.72 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.831 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -109.88 117.79 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 36.2 p -116.48 93.18 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -143.31 -173.86 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 2.3 t -91.26 7.35 41.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.5 OUTLIER -178.8 61.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.46 ' C ' ' CD ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -118.59 171.75 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.403 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 11.4 tp -122.36 113.16 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . 0.505 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -81.24 130.05 34.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.122 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -122.49 142.18 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -123.99 128.57 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -35.09 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 95.07 52.91 1.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -114.44 177.39 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 413' ' ' LYS . 96.9 t -118.51 124.73 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.771 ' CG2' HD11 ' A' ' 430' ' ' LEU . 5.1 t -138.4 133.29 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.7 127.79 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 414' ' ' VAL . 59.9 t -76.44 120.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.764 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.34 153.76 80.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.7 -27.34 27.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.23 147.0 7.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.0 20.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -23.8 62.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.49 -16.35 30.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -81.61 150.72 27.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -115.31 164.11 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.85 116.03 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 102.39 -15.95 55.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -127.63 137.24 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.835 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.11 172.69 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.76 113.56 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.764 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.5 171.89 21.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -130.27 140.24 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 435' ' ' VAL . 19.9 mtmt -79.15 162.0 26.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 435' ' ' VAL . 5.5 tt0 -57.79 -42.14 83.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -45.95 87.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 455' ' ' VAL . 4.9 m-20 -60.36 -33.26 72.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.556 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.9 t90 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.022 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -154.41 -179.55 29.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.403 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.9 t -126.59 151.0 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 6.8 p90 -157.33 149.15 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.835 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.67 -31.28 71.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -6.96 37.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.875 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.45 1.33 21.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.875 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -125.76 179.96 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 415' ' ' GLN . 15.5 tt0 -124.32 135.06 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -78.53 127.4 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.495 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 39.6 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.999 -0.424 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 133.8 17.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 93.15 -21.93 37.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 12.1 t80 -36.66 150.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.6 mtt -109.61 -71.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 30.0 p90 -158.64 179.77 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.527 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.62 151.31 20.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -133.18 164.61 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.6 tp60 -132.22 118.79 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 1.03 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.09 150.41 48.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -122.4 -2.75 8.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.2 m-70 -145.48 169.81 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.37 99.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.83 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -106.91 104.49 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 112.8 12.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.83 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.85 118.46 34.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 17.3 p -117.58 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.19 -175.62 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.0 t -79.9 -13.27 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.29 45.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -92.19 169.98 10.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.455 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.7 tp -123.52 114.69 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.65 127.04 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 1.03 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -117.14 141.88 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -122.33 128.74 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.04 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.84 49.79 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -113.48 167.48 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.555 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.5 m -118.78 124.21 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 430' ' ' LEU . 46.5 t -136.73 150.37 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.721 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 130.54 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.605 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.7 t -78.37 122.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.96 153.56 78.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.65 -172.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.7 OUTLIER -82.36 -29.73 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -162.6 146.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.18 19.87 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.92 -27.08 64.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.77 -13.14 46.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.19 148.23 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -111.45 148.31 33.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.7 109.21 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.45 -4.81 31.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -138.32 142.87 39.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -136.45 172.1 13.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . 0.521 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.12 115.65 26.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.89 174.71 20.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.721 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -137.36 143.49 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -78.06 161.51 27.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.555 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -45.38 88.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.495 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.9 m-20 -59.4 -33.0 70.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.543 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 . . . . . 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . 0.521 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -155.02 -179.61 30.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.411 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.96 147.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CZ ' HD13 ' A' ' 452' ' ' LEU . 14.5 p90 -154.24 146.51 17.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -67.73 -31.08 70.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -70.6 -6.94 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.868 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.52 1.49 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.868 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -128.05 -179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.27 144.23 51.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -83.24 129.9 35.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . 0.527 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 66.5 t . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 138.28 22.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.58 -22.5 24.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.4 t80 -36.01 153.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.0 mtt -113.99 -70.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 438' ' ' VAL . 7.2 p90 -159.46 176.63 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' LYS . . . . . 0.656 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.94 150.21 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.9 m -132.49 166.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 15.7 tp60 -132.79 124.77 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' ALA . . . . . 0.933 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -71.29 144.94 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -115.79 -2.67 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' HIS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.4 m-70 -148.06 169.43 19.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -104.67 103.25 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' TYR . . . . . 0.905 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -108.78 103.64 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.31 112.92 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' ALA . . . . . 0.905 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.96 118.04 33.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.5 p -117.47 95.15 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 8.9 t0 -140.77 -175.52 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 5.1 t -83.11 0.21 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -174.61 43.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' GLU . . . . . 0.426 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -91.99 170.34 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 454' ' ' GLY . 9.4 tp -121.61 114.79 21.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.65 132.42 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -125.56 152.07 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.9 134.78 48.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.95 98.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.49 49.37 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' ASP . . . . . 0.582 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 25.6 t70 -112.43 168.77 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' VAL . . . . . 0.656 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 5.3 m -118.76 123.0 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 414' ' ' VAL . 44.0 t -134.22 146.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -110.34 130.14 55.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 412' ' ' PHE . 47.5 t -77.97 121.62 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' ILE . . . . . 0.744 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.28 153.11 80.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -21.2 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.45 147.86 1.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.368 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -16.55 20.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 -17.43 61.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.72 -10.57 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.14 153.05 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 14.7 t70 -110.87 170.06 8.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -82.72 114.64 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.38 -18.16 36.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -124.56 143.09 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -135.32 172.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.61 114.07 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLY . . . . . 0.744 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.66 174.23 20.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.661 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.4 p -134.96 142.94 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -79.1 160.18 27.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' GLU . . . . . 0.596 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -43.46 90.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 22.4 m-20 -59.92 -32.96 71.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.13 -179.91 35.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' VAL . . . . . 0.429 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -123.73 149.97 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.1 p90 -154.05 147.13 17.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.02 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 452' ' ' LEU . 4.6 tt0 -67.12 -30.09 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.26 -6.82 42.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.03 2.24 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' THR . . . . . 0.947 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.14 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 153.46 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 0.8 OUTLIER -89.7 139.17 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 99.4 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.504 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -58.91 161.62 4.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.767 . . . . 0.0 110.261 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.23 -28.27 12.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -115.36 155.03 28.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.89 159.29 31.24 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.2 Cg_endo -75.04 134.78 18.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 141.2 26.26 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.546 1.814 . . . . 0.0 110.99 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.07 35.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.478 1.111 . . . . 0.0 111.059 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.5 t80 -36.99 151.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.477 ' CE ' HG12 ' A' ' 438' ' ' VAL . 11.9 mtt -110.66 -72.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.4 p90 -162.96 178.15 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.6 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -94.52 143.53 26.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.664 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.5 m -124.77 166.03 20.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -132.86 119.08 19.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.762 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.1 156.12 34.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.406 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 12.1 mt-30 -126.33 1.33 7.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.46 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.9 m-70 -148.17 169.35 20.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -106.8 102.74 12.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.916 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -110.5 103.95 12.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.11 113.03 13.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 110.402 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.916 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.56 118.4 34.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.1 p -117.4 95.36 4.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.378 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.431 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 5.2 t70 -140.81 -175.73 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.4 t -81.86 -3.25 53.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.408 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -171.89 45.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.455 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.4 mm-40 -92.48 170.36 9.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.577 HD13 ' HA3' ' A' ' 471' ' ' GLY . 5.4 tp -121.41 113.58 20.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.551 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -85.34 125.02 32.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.039 HD11 HG21 ' A' ' 436' ' ' VAL . 0.4 OUTLIER -115.63 145.65 42.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -126.37 130.47 50.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.53 97.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 102.2 47.68 1.42 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.424 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.9 t0 -111.48 167.16 10.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 0.743 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 413' ' ' LYS . 2.4 m -119.57 123.26 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.039 HG21 HD11 ' A' ' 430' ' ' LEU . 39.6 t -135.46 146.55 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.19 132.58 51.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.132 . . . . 0.0 109.301 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.664 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.4 t -82.25 118.77 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.703 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.02 152.62 79.6 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 116.88 4.71 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.75 -172.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.422 ' OE1' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.7 -25.9 37.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -169.72 147.95 3.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.42 20.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.454 1.765 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.95 -15.19 61.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -99.23 -7.98 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.55 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -90.88 151.86 20.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -103.43 173.41 6.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -84.26 110.24 18.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.42 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.58 2.73 56.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.497 1.123 . . . . 0.0 111.05 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.909 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.6 OUTLIER -134.29 137.07 43.99 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.909 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.99 171.55 12.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.47 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.18 116.15 27.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.703 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -141.36 163.83 26.7 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 459' ' ' ASP . 13.6 p -127.81 145.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.425 0.721 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.646 ' HG3' HG22 ' A' ' 436' ' ' VAL . 11.2 mtmt -70.66 164.41 25.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.514 ' CB ' HG23 ' A' ' 435' ' ' VAL . 5.0 tt0 -62.82 -42.06 99.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.416 ' HA ' ' OD1' ' A' ' 461' ' ' ASN . 0.1 OUTLIER -63.86 -43.21 96.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.989 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.749 ' HB2' HG22 ' A' ' 455' ' ' VAL . 62.2 m-20 -59.83 -34.15 72.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.3 t90 -53.44 -43.59 68.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 108.016 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.464 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 0.9 OUTLIER -53.68 -27.28 26.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.437 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.0 OUTLIER -97.94 18.46 15.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -45.13 -23.6 0.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.566 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -57.62 -30.44 65.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.99 39.14 3.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.55 -30.36 53.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.413 ' HG2' ' NH2' ' A' ' 470' ' ' ARG . 1.7 mt-10 -54.95 -18.25 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.5 7.82 15.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 17.0 m -113.26 -13.74 12.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.271 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.422 ' NH2' ' OE1' ' A' ' 442' ' ' GLN . 0.8 OUTLIER -52.68 136.92 32.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.577 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -152.83 -179.47 28.4 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.42 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -126.97 151.35 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.458 0.74 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -159.71 148.74 14.1 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.65 -36.41 80.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.3 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -64.04 -12.88 42.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -101.87 2.14 37.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.55 -179.79 5.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.406 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 7.8 tt0 -132.1 151.91 51.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.532 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.8 mtt180 -84.87 135.43 34.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.6 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 86.1 t -105.88 117.29 58.08 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 110.983 -179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.522 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -92.04 -176.27 4.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 0.777 . . . . 0.0 110.305 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.437 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.9 pt? -123.99 -40.53 2.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -109.85 154.15 23.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.345 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.86 160.63 43.42 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 134.79 18.23 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.93 27.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.478 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.07 -22.42 22.75 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 14.6 t80 -36.87 149.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 0.795 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.4 mtt -109.59 -69.88 0.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.3 p90 -161.1 -179.81 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 111.01 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.559 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -99.48 147.45 25.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.543 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.7 m -127.44 167.23 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.0 tp60 -132.65 118.98 19.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.699 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.18 150.05 49.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.422 ' NE2' ' HB2' ' A' ' 479' ' ' GLU . 10.2 mt-30 -120.83 -0.88 10.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.349 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.5 169.58 18.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -107.54 98.43 8.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.88 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -106.35 104.05 13.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.78 113.15 12.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.425 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.88 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.23 117.76 32.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.98 95.06 4.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -141.14 -175.49 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -84.52 -0.02 51.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -172.16 46.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.452 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -98.14 170.41 8.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.579 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -125.6 113.2 17.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.566 ' C ' HD22 ' A' ' 430' ' ' LEU . 4.1 tt0 -81.63 137.86 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.037 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.1 mm? -129.5 141.66 50.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 431' ' ' LYS . 0.0 OUTLIER -120.22 133.58 55.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.9 100.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 98.02 48.38 1.91 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.463 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 33.5 t70 -112.26 171.0 7.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.627 HG23 ' CB ' ' A' ' 457' ' ' GLU . 3.8 m -119.13 127.82 75.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.037 ' CG2' HD11 ' A' ' 430' ' ' LEU . 14.7 t -137.42 146.37 27.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.607 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -107.41 133.84 51.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.543 HG23 ' CG1' ' A' ' 414' ' ' VAL . 42.8 t -84.09 121.02 35.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.801 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.37 152.7 79.98 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.36 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.47 1.774 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.537 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.34 -174.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.975 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.436 ' NE2' ' NH2' ' A' ' 470' ' ' ARG . 0.0 OUTLIER -80.95 -29.77 35.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -162.82 147.99 9.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -16.26 20.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.52 -22.21 61.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -89.13 -16.42 31.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.482 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -74.84 150.7 39.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.338 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -104.19 169.31 8.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.19 103.64 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.66 0.97 52.83 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.457 1.098 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.59 143.33 50.68 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -134.24 172.43 12.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.411 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.8 OUTLIER -89.4 117.73 28.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.801 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.26 173.49 22.2 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 459' ' ' ASP . 9.4 p -133.96 144.99 33.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 109.271 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 428' ' ' LEU . 2.2 mtmp? -77.97 158.93 29.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.627 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.0 tt0 -58.11 -39.26 78.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -35.78 82.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.998 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.848 ' HB2' HG22 ' A' ' 455' ' ' VAL . 76.2 m-20 -65.56 -33.66 76.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.527 ' HB2' HD11 ' A' ' 437' ' ' LEU . 4.3 t90 -52.45 -47.44 66.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 108.044 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -56.86 -25.59 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.454 ' C ' ' N ' ' A' ' 464' ' ' LYS . 49.8 mm-40 -94.63 17.38 13.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.756 ' HA ' HD23 ' A' ' 466' ' ' LEU . 1.6 t60 -45.55 -23.36 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.585 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -58.58 -30.63 67.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . 0.455 ' CG ' ' HG3' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -148.81 52.09 0.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.756 HD23 ' HA ' ' A' ' 463' ' ' HIS . 3.2 pp -68.55 -30.52 69.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -55.49 -17.32 5.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . 0.455 ' HG3' ' CG ' ' A' ' 465' ' ' LYS . 4.1 mmmt -108.42 7.72 27.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 6.4 m -124.56 4.61 8.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 108.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.436 ' NH2' ' NE2' ' A' ' 442' ' ' GLN . 2.7 mtm180 -61.94 150.78 36.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.579 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.78 178.1 39.37 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.427 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.2 t -120.45 153.11 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 109.372 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 16.3 p90 -154.69 144.87 15.75 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.568 1.825 . . . . 0.0 111.003 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.492 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.22 -36.68 82.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -64.68 -11.9 40.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.906 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -104.22 2.14 31.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 111.026 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.906 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.4 p -131.46 177.92 7.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.368 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.422 ' HB2' ' NE2' ' A' ' 417' ' ' GLN . 35.4 tt0 -129.0 148.07 50.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.44 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.0 mtm180 -82.43 134.83 35.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.559 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 96.2 t -109.18 115.86 56.07 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.481 1.779 . . . . 0.0 110.969 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.496 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -56.63 173.39 0.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 0.784 . . . . 0.0 110.317 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.33 -33.63 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -114.99 149.81 36.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.72 159.18 55.64 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.41 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.98 135.0 18.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.439 1.757 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.02 141.9 27.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.46 1.769 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . . . . . . . . . . . 88.85 -22.94 19.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 19.4 t80 -36.78 152.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 0.782 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 8.9 mtt -114.15 -69.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 26.6 p90 -162.94 170.83 17.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.755 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -90.38 145.47 24.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.766 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.4 m -125.32 165.29 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -131.54 118.82 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.73 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.25 150.62 48.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -120.68 -2.21 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.9 169.39 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.606 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -101.79 108.33 19.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 11.3 t80 -115.09 102.91 10.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -79.98 113.94 18.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.388 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.85 117.84 32.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.292 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.5 p -118.32 93.63 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.369 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.435 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 6.1 t0 -142.79 -174.87 4.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.7 t -91.67 5.32 50.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -174.49 56.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.478 ' HG2' ' CB ' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -120.12 171.92 8.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.478 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -122.75 122.94 39.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.61 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -89.03 131.33 35.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.895 HD11 HG21 ' A' ' 436' ' ' VAL . 3.6 mm? -120.56 147.19 45.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -129.1 131.92 47.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.74 97.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.64 49.81 1.48 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.535 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t70 -113.87 170.42 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 0.789 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.755 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.3 OUTLIER -118.97 124.96 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.895 HG21 HD11 ' A' ' 430' ' ' LEU . 3.1 t -136.03 139.49 45.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.747 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -99.16 133.28 43.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.526 HG23 ' CG1' ' A' ' 414' ' ' VAL . 6.4 t -83.18 111.24 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.749 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -122.0 152.35 59.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 117.03 4.77 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.508 1.793 . . . . 0.0 111.03 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.8 -171.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.148 . . . . 0.0 110.992 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.9 -17.85 39.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 110.262 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.418 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER -176.09 148.39 0.92 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.418 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.0 -18.48 18.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.77 -20.85 62.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -92.68 -7.12 47.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.265 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.4 150.94 21.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -102.38 175.01 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.47 108.66 18.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 99.17 7.87 54.23 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.539 1.15 . . . . 0.0 110.974 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.645 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -138.64 139.49 38.54 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.645 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -130.96 171.32 13.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.509 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.6 OUTLIER -89.89 115.59 27.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.749 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.42 166.39 24.18 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.747 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.5 p -125.37 142.26 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 429' ' ' GLN . 1.5 mtmp? -74.22 159.42 32.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.594 ' HB3' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.48 -39.48 80.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.286 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -38.28 87.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.995 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.737 ' HB2' HG22 ' A' ' 455' ' ' VAL . 82.7 m-20 -64.85 -33.71 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.61 ' HB2' HD11 ' A' ' 437' ' ' LEU . 5.6 t90 -52.78 -46.97 67.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 107.992 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -54.3 -26.24 28.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.293 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.487 ' NE2' ' N ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -98.52 18.28 17.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.33 -22.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.591 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.432 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.6 tttp -57.41 -30.08 64.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.75 49.16 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.54 -31.36 72.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.69 -18.06 7.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.33 8.25 25.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -125.05 5.26 7.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 108.248 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -61.53 150.0 37.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.509 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -163.83 -179.82 38.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.007 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.4 151.27 31.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 15.3 p90 -154.59 145.76 16.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 118.72 5.37 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -67.43 -34.22 76.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -67.47 -9.78 45.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.913 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.43 1.56 25.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.913 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.85 178.59 6.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -130.14 151.1 51.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 6.5 mtm-85 -84.52 137.43 33.33 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.629 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 93.0 t -111.04 116.15 51.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 110.963 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.452 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -68.77 171.87 7.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 0.78 . . . . 0.0 110.293 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -113.24 -31.26 6.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -112.02 152.58 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.51 159.14 34.34 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.94 138.78 23.65 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.527 1.804 . . . . 0.0 110.983 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 130.42 13.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.471 1.774 . . . . 0.0 110.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 96.2 -18.99 56.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 30.5 t80 -36.87 152.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.478 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.1 mtt -110.23 -72.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.421 1.076 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 11.5 p90 -164.03 179.87 6.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 111.029 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.443 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.4 OUTLIER -95.74 145.16 25.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.573 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -126.38 166.46 22.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -131.98 119.0 20.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.47 147.76 52.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -119.17 -4.22 10.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.481 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 86.2 m-70 -143.95 169.22 18.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.603 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -106.33 104.93 14.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.849 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.4 t80 -114.49 103.61 11.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 111.033 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.4 m -76.03 113.05 13.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.849 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.16 117.97 33.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 21.6 p -118.1 95.26 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.388 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.44 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 3.9 t0 -140.78 -175.88 4.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.3 t -80.78 -8.84 59.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 110.39 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -165.32 47.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.473 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 1.3 mm-40 -96.21 170.37 9.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.565 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.0 OUTLIER -124.38 113.66 18.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.276 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.743 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.3 tt0 -82.54 135.92 34.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.773 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.1 mm? -127.18 148.56 50.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.75 132.98 47.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -40.28 97.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 100.76 47.92 1.57 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.549 1.156 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.569 ' OD2' HD13 ' A' ' 430' ' ' LEU . 26.9 t0 -110.92 170.33 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.598 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.5 m -119.77 122.96 70.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.631 HG21 HD11 ' A' ' 430' ' ' LEU . 2.3 t -137.23 149.7 26.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -110.75 133.71 53.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.573 HG23 ' CG1' ' A' ' 414' ' ' VAL . 27.5 t -83.38 121.4 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.711 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.47 153.58 80.64 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 116.23 4.52 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.517 1.798 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.9 -173.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -80.6 -31.37 36.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -162.68 147.76 9.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -17.35 19.7 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.433 1.754 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.3 -15.24 61.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -98.3 -12.41 21.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.556 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -88.62 151.56 22.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -107.93 158.71 17.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -73.45 107.54 5.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.484 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.87 -2.41 30.27 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -137.77 140.8 40.81 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.653 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.26 172.65 12.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.6 OUTLIER -86.74 120.17 27.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.711 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -143.62 160.97 27.75 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.467 1.105 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.958 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.6 p -125.88 145.77 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.596 ' HA ' HG22 ' A' ' 436' ' ' VAL . 1.5 mtmp? -71.66 166.03 22.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.598 ' CB ' HG23 ' A' ' 435' ' ' VAL . 12.2 tt0 -61.76 -41.58 97.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.44 ' HA ' ' OD1' ' A' ' 461' ' ' ASN . 0.2 OUTLIER -65.77 -43.61 88.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.958 ' HB2' HG22 ' A' ' 455' ' ' VAL . 1.2 m-20 -61.39 -33.65 74.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.607 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.6 t90 -52.98 -33.63 52.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 107.99 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.491 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 0.7 OUTLIER -66.12 -24.78 66.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.448 ' C ' ' N ' ' A' ' 464' ' ' LYS . 17.0 mm-40 -85.64 16.84 3.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 14.3 t60 -44.88 -23.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.608 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.448 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.6 mtmp? -58.05 -30.33 66.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 2.6 pttm -155.82 55.6 0.6 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.503 ' H ' HD23 ' A' ' 466' ' ' LEU . 1.3 pt? -69.49 -29.92 67.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -54.63 -17.88 3.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.58 8.33 22.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.0 9.1 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 108.327 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -66.21 155.09 38.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 110.342 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.565 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -160.48 -179.35 35.19 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -125.82 150.03 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.521 ' HZ ' HG22 ' A' ' 438' ' ' VAL . 10.6 p90 -154.23 147.65 18.39 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -74.99 118.39 5.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.475 1.776 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.653 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.54 -34.19 76.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.35 -9.85 45.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.895 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.79 1.53 27.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.895 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.53 178.39 6.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.368 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -129.45 147.37 51.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.09 132.98 34.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.519 HG13 ' HD2' ' A' ' 482' ' ' PRO . 81.7 t -102.68 138.84 19.73 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . 0.519 ' HD2' HG13 ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.473 ' CB ' ' HB3' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -80.24 -173.99 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 110.266 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -123.5 -42.52 2.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.405 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 37.3 m-20 -109.15 155.06 21.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.34 160.95 53.22 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.421 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.5 Cg_endo -75.01 135.0 18.48 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.492 1.785 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 141.32 26.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.07 -21.99 21.09 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.3 t80 -36.56 151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 111.009 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.443 ' CE ' ' CG1' ' A' ' 438' ' ' VAL . 11.6 mtt -111.79 -70.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.169 . . . . 0.0 110.959 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.8 p90 -162.36 173.72 13.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.67 140.29 29.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.643 HG11 HG23 ' A' ' 438' ' ' VAL . 1.3 m -123.95 165.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -133.87 121.75 22.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -66.93 150.08 49.72 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -120.76 -1.21 10.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.488 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.61 169.35 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -104.93 105.85 16.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.895 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.28 105.31 13.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.35 113.1 16.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.351 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.895 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.09 117.98 33.48 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.6 p -117.94 95.12 4.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.401 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.5 t70 -140.72 -175.67 4.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.9 t -82.76 -1.95 53.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.353 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -172.26 46.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.43 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.2 mm-40 -95.28 170.38 9.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.596 HD23 ' CA ' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -123.95 113.69 18.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.846 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.8 tt0 -81.74 137.45 35.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.049 HD11 HG21 ' A' ' 436' ' ' VAL . 3.1 mm? -127.6 143.77 51.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -125.26 131.54 53.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.24 97.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.13 48.01 1.51 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.561 ' OD2' HD13 ' A' ' 430' ' ' LEU . 19.6 t0 -109.79 168.75 9.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.5 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.7 m -119.33 121.73 67.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.049 HG21 HD11 ' A' ' 430' ' ' LEU . 71.0 t -137.14 143.79 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.886 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.36 133.14 50.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.643 HG23 HG11 ' A' ' 414' ' ' VAL . 8.7 t -79.69 119.83 29.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.769 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.97 153.13 80.18 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . 0.413 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.66 4.66 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.74 -176.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.35 -34.01 32.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -154.08 143.4 15.0 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.47 18.69 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.36 -22.38 63.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -89.9 -15.64 31.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -77.8 149.9 34.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -108.46 170.46 8.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -82.55 108.96 16.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 99.88 2.61 56.13 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -135.04 135.44 41.31 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.466 HD23 ' NE2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -128.62 171.16 12.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.4 ttm -88.69 113.77 24.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.769 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -130.97 170.71 21.2 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.886 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -133.97 142.08 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.496 ' HG3' HG22 ' A' ' 436' ' ' VAL . 2.8 mtmp? -74.75 161.13 29.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.355 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.5 ' HB3' HG23 ' A' ' 435' ' ' VAL . 8.6 tt0 -58.83 -42.74 89.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -40.12 92.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.019 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.545 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.4 m-20 -64.77 -32.08 73.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.097 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.725 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -50.95 -47.71 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -54.08 -25.66 22.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.429 ' C ' ' N ' ' A' ' 464' ' ' LYS . 69.2 mm-40 -89.88 16.76 7.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 16.3 t60 -45.28 -23.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.583 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.429 ' N ' ' C ' ' A' ' 462' ' ' GLN . 7.1 pttt -58.83 -39.8 82.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 3.6 mmtm -147.56 49.32 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.9 pt? -70.01 -30.67 68.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 7.0 mt-10 -55.51 -17.48 5.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.89 7.58 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.41 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.5 OUTLIER -130.11 8.6 5.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 108.327 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 0.9 OUTLIER -57.82 155.24 10.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.596 ' CA ' HD23 ' A' ' 428' ' ' LEU . . . -159.26 -179.63 34.21 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.435 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -124.17 150.49 28.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.512 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.7 p90 -154.33 147.52 18.19 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.04 117.37 4.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.39 -32.54 73.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.91 -8.81 47.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.911 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -107.07 0.77 23.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.911 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -126.97 -179.75 5.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -132.35 149.49 52.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.475 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 8.6 mtm-85 -86.87 136.88 32.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.599 HG13 ' HD2' ' A' ' 482' ' ' PRO . 92.6 t -117.21 141.54 28.71 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . 0.599 ' HD2' HG13 ' A' ' 481' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.523 1.802 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.579 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -52.04 159.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 0.769 . . . . 0.0 110.295 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.73 -27.01 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -115.37 147.53 40.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.94 159.33 36.0 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.03 134.37 17.68 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.474 1.776 . . . . 0.0 110.958 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -75.03 141.85 27.05 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.437 1.756 . . . . 0.0 110.995 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.76 -19.92 30.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 111.047 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 29.6 t80 -36.47 154.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 0.781 . . . . 0.0 111.025 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.6 mtt -116.44 -69.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.542 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 17.0 p90 -163.9 177.15 8.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.615 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -95.93 146.41 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.753 ' CG1' HG23 ' A' ' 438' ' ' VAL . 0.9 OUTLIER -126.79 165.7 24.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.5 tp60 -129.27 119.66 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.268 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.817 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.72 146.18 54.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -116.21 -3.28 12.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.5 m-70 -146.11 169.39 18.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.599 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.18 101.91 11.43 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.922 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -107.18 103.81 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -77.22 112.8 14.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.922 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.26 118.24 34.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.9 p -117.53 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.413 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.424 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 1.7 t70 -140.67 -175.65 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.1 t -81.06 -4.16 54.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.37 44.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.445 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.1 mm-40 -91.7 170.25 10.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.629 HD22 ' O ' ' A' ' 454' ' ' GLY . 5.6 tp -121.39 114.92 21.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.428 ' O ' ' CE ' ' A' ' 456' ' ' LYS . 5.4 tt0 -88.3 133.47 34.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.4 OUTLIER -126.64 151.4 48.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -127.73 134.49 49.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -39.06 100.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 98.84 44.26 2.48 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.56 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.5 t70 -110.04 168.36 9.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 0.74 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.615 HG12 ' HE3' ' A' ' 413' ' ' LYS . 1.1 m -115.23 126.95 72.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.54 HG21 HD21 ' A' ' 430' ' ' LEU . 12.0 t -137.56 138.7 44.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -99.28 133.11 44.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.294 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.753 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -84.86 111.49 20.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.122 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.705 HD12 HG12 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -121.78 152.97 59.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 117.06 4.78 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.465 1.771 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.546 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -56.33 -172.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 111.039 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -90.39 -8.07 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.407 ' ND2' ' HD2' ' A' ' 444' ' ' PRO . 0.7 OUTLIER 179.52 148.04 0.44 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.351 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.407 ' HD2' ' ND2' ' A' ' 443' ' ' ASN . 18.2 Cg_endo -75.01 -17.92 19.13 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.504 1.792 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.72 -28.04 65.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.83 -7.6 58.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.546 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.4 tt0 -86.21 148.9 25.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -109.25 158.99 17.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -73.13 107.44 5.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.483 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.52 5.57 53.94 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.71 143.4 39.08 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.23 171.87 13.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.4 OUTLIER -89.56 113.69 25.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 111.025 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.698 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -138.15 172.06 23.1 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.042 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.2 p -136.71 145.84 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.76 . . . . 0.0 109.329 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.498 ' HG2' ' CG2' ' A' ' 436' ' ' VAL . 6.3 mtmp? -74.06 163.79 27.44 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.575 ' HB3' HG23 ' A' ' 435' ' ' VAL . 5.6 tt0 -61.95 -46.48 89.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.316 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -38.26 74.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.566 ' HB2' HG22 ' A' ' 455' ' ' VAL . 54.0 m-20 -66.55 -33.76 76.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.579 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.4 t90 -52.35 -47.33 66.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 107.98 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -53.72 -26.31 22.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 25.5 mm-40 -92.34 17.69 9.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.438 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 12.2 t60 -44.98 -23.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 109.604 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 31.7 tttt -57.24 -30.05 64.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -136.63 44.94 2.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.31 -31.18 63.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.25 -18.15 5.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.367 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.42 8.47 17.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 57.9 m -109.66 -17.73 13.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 108.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -50.97 134.01 26.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.492 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -151.57 -179.28 27.12 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -126.31 148.89 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 0.0 109.245 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.449 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 8.9 p90 -158.56 149.82 16.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.05 118.01 5.1 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.478 1.778 . . . . 0.0 110.984 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.486 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.58 -33.57 75.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -68.18 -9.14 44.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -105.84 3.61 28.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.979 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -129.24 -179.45 5.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -132.92 146.57 51.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -83.11 134.04 35.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.612 HG13 ' HD2' ' A' ' 482' ' ' PRO . 89.3 t -113.61 141.79 26.57 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . 0.612 ' HD2' HG13 ' A' ' 481' ' ' VAL . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.425 1.75 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.558 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -44.11 165.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 110.322 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 -23.42 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.417 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 27.9 m-20 -115.67 146.38 41.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.98 159.95 36.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.97 134.26 17.64 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.01 144.54 30.35 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.05 -18.04 38.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 22.6 t80 -36.86 151.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 0.744 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.423 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.7 mtt -110.96 -71.86 0.74 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 10.8 p90 -162.38 179.82 7.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -96.74 147.77 23.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.4 m -130.68 166.76 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.418 1.074 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 434' ' ' ASP . 4.4 tp60 -131.8 124.58 29.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.659 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -71.15 150.17 45.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -120.01 -2.85 10.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.49 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.2 m-70 -144.56 170.03 16.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.581 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.22 102.56 11.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.825 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.8 t80 -109.87 106.06 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -79.49 113.49 17.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.461 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.825 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.55 118.12 35.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 24.9 p -115.4 93.42 4.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -143.52 -174.04 4.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 10.0 t -90.06 7.95 35.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 5.1 t70 178.11 62.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.46 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.2 OUTLIER -115.73 171.6 7.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 430' ' ' LEU . 3.2 tp -120.55 113.3 20.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.477 ' C ' HD22 ' A' ' 430' ' ' LEU . 5.1 tt0 -83.18 131.74 35.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.965 HD11 HG21 ' A' ' 436' ' ' VAL . 4.2 mm? -122.94 140.69 52.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -121.06 130.85 53.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.81 101.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 96.42 51.57 1.69 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.459 1.1 . . . . 0.0 110.953 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.475 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 7.8 t0 -114.3 171.76 7.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 0.77 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.537 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.3 m -119.47 124.45 72.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.965 HG21 HD11 ' A' ' 430' ' ' LEU . 8.2 t -136.16 146.25 29.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.834 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -108.42 131.28 54.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.458 HG23 ' CG1' ' A' ' 414' ' ' VAL . 15.2 t -80.91 118.93 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.729 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -129.21 152.69 79.84 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.83 4.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.533 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.16 -175.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.968 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -29.2 40.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -159.91 143.78 10.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . 0.408 ' HA ' ' CZ ' ' A' ' 441' ' ' PHE . 18.3 Cg_endo -75.03 -19.47 17.74 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.46 1.769 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.03 -14.73 61.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -96.84 -2.84 43.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.533 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.66 152.59 19.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.409 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 12.8 t70 -102.7 168.19 9.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.25 102.46 11.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 111.03 -7.98 29.25 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.442 1.089 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.586 ' C ' HD23 ' A' ' 452' ' ' LEU . 0.5 OUTLIER -126.73 138.97 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.586 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -128.48 172.18 11.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -89.82 115.77 27.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.988 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -137.66 171.77 23.1 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.834 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.3 p -133.27 145.36 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.469 ' HG3' ' CG2' ' A' ' 436' ' ' VAL . 0.1 OUTLIER -80.53 162.01 24.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.537 ' CB ' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -58.48 -35.54 72.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.3 -47.22 65.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 109.955 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 455' ' ' VAL . 39.4 m-20 -60.52 -33.6 72.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.558 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 5.4 t90 -53.34 -47.04 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -53.79 -26.19 22.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.44 ' C ' ' N ' ' A' ' 464' ' ' LYS . 44.3 mm-40 -96.14 18.19 14.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 0.4 OUTLIER -45.57 -23.46 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.605 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -57.89 -30.44 65.86 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.13 . . . . 0.0 109.315 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -132.2 42.1 3.16 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 470' ' ' ARG . 0.2 OUTLIER -55.9 -30.73 62.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.75 -22.8 38.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.61 7.63 14.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -13.31 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 108.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.414 ' CG ' ' O ' ' A' ' 466' ' ' LEU . 2.2 mtm180 -55.25 149.27 12.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.413 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -159.35 -179.81 34.43 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.417 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.14 149.45 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.463 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 12.5 p90 -156.69 146.56 15.57 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.453 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.69 -33.54 75.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -68.04 -9.0 42.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.876 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.82 1.96 25.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.996 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.876 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.79 179.81 5.5 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 110.386 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -131.89 144.87 51.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.491 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.2 mtm180 -79.64 139.61 37.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.501 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 82.8 t -112.71 115.78 48.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.542 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -60.81 168.76 2.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.58 -16.88 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -115.4 147.8 40.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.258 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.98 159.39 31.55 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.01 135.41 19.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 111.004 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.04 131.21 13.99 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.485 1.782 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 98.03 -19.27 55.2 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.475 1.109 . . . . 0.0 110.967 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.6 t80 -37.07 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 0.766 . . . . 0.0 110.978 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.405 ' HB2' HG12 ' A' ' 438' ' ' VAL . 10.3 mtt -113.93 -72.35 0.71 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 9.1 p90 -161.47 172.78 15.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.869 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.1 OUTLIER -92.74 144.25 25.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.579 HG11 HG23 ' A' ' 438' ' ' VAL . 1.0 OUTLIER -124.43 165.86 20.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.423 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 27.2 tp60 -130.16 118.46 21.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.74 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -64.3 150.28 46.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -121.98 -1.78 9.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.497 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.5 m-70 -145.84 169.52 18.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -107.48 99.12 8.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.887 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -107.14 103.63 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -75.92 112.5 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.887 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.37 118.12 33.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 26.1 p -117.48 95.23 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.441 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.456 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.7 t70 -141.02 -175.54 4.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.2 t -80.03 -13.29 59.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.41 ' CG ' ' O ' ' A' ' 426' ' ' ASP . 3.4 p-10 -161.18 45.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 1.9 mm-40 -92.19 170.28 9.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.475 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.8 tp -124.26 113.99 19.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.705 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -84.13 133.23 34.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.1 HD11 HG21 ' A' ' 436' ' ' VAL . 3.8 mm? -125.23 137.0 54.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -117.68 129.77 55.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.42 98.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.4 48.55 1.41 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.588 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 9.8 t0 -113.3 170.21 8.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.869 HG12 ' HE3' ' A' ' 413' ' ' LYS . 0.2 OUTLIER -119.32 124.5 73.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.283 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.1 HG21 HD11 ' A' ' 430' ' ' LEU . 44.1 t -136.26 140.54 43.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.789 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -101.38 132.47 46.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.579 HG23 HG11 ' A' ' 414' ' ' VAL . 4.1 t -82.99 113.18 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.735 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -122.15 153.46 61.34 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.257 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.562 1.822 . . . . 0.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -57.05 -172.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.0 -9.22 52.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 110.312 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.01 147.94 0.4 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.44 19.52 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.11 -26.78 64.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -88.04 -4.22 58.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.527 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.7 tt0 -87.4 150.94 23.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.251 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -107.25 169.44 8.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -83.27 97.1 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.3 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.433 ' O ' ' ND2' ' A' ' 476' ' ' ASN . . . 109.42 1.09 31.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.576 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -133.09 144.34 49.9 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -136.94 172.71 12.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.313 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -88.13 116.7 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.735 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -139.49 164.74 25.93 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.789 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.8 p -127.1 145.74 34.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -74.7 164.16 26.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.49 ' HB3' HG23 ' A' ' 435' ' ' VAL . 16.5 tt0 -61.99 -42.87 99.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.32 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.416 ' HA ' ' OD1' ' A' ' 461' ' ' ASN . 0.1 OUTLIER -63.83 -45.33 90.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.494 ' HB3' ' CG2' ' A' ' 455' ' ' VAL . 28.5 m-20 -59.92 -33.79 72.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.705 ' HB2' HD11 ' A' ' 437' ' ' LEU . 7.2 t90 -52.7 -35.23 55.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 107.98 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.521 ' N ' ' ND2' ' A' ' 461' ' ' ASN . 0.7 OUTLIER -64.76 -25.54 67.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.442 ' C ' ' N ' ' A' ' 464' ' ' LYS . 6.8 mm-40 -88.43 18.43 4.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 403' ' ' ARG . 3.8 t60 -44.74 -23.37 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.573 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.442 ' N ' ' C ' ' A' ' 462' ' ' GLN . 12.5 ptpt -57.93 -30.46 65.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.5 52.1 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.852 HD12 ' N ' ' A' ' 467' ' ' GLU . 2.9 pp -69.32 -30.63 68.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.852 ' N ' HD12 ' A' ' 466' ' ' LEU . 46.9 mt-10 -53.34 -28.41 28.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.269 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.04 8.89 42.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.25 5.08 9.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 108.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -62.88 149.3 44.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.475 ' HA3' HD13 ' A' ' 428' ' ' LEU . . . -156.4 179.99 31.84 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.425 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.5 t -124.21 152.91 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 0.777 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.599 ' CZ ' ' CD1' ' A' ' 452' ' ' LEU . 10.3 p90 -158.16 147.53 14.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.576 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.1 Cg_endo -75.01 116.3 4.54 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.636 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.3 tt0 -67.59 -32.02 72.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.28 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 450' ' ' GLY . 3.3 p30 -68.66 -9.6 51.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.833 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.33 2.03 26.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.443 1.089 . . . . 0.0 111.013 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.833 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.8 OUTLIER -127.29 178.64 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.41 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.69 144.12 51.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.528 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -80.09 134.57 36.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 32.9 t -109.63 116.3 54.54 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.539 1.81 . . . . 0.0 111.002 -179.986 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.656 ' CZ ' ' CG ' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -127.95 142.72 51.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 0.785 . . . . 0.0 110.311 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.72 -36.76 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.557 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 8.7 m-20 -72.59 156.13 39.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.82 158.01 32.95 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.95 135.27 18.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.98 138.78 23.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.464 1.77 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.25 -22.08 21.34 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.422 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 21.2 t80 -36.45 153.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 0.755 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.8 mtt -117.15 -69.95 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 111.063 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.543 ' CE1' ' HD3' ' A' ' 480' ' ' ARG . 26.3 p90 -157.2 -179.91 8.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.414 1.071 . . . . 0.0 111.005 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.504 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.2 OUTLIER -101.69 146.83 27.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.549 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.6 m -127.22 164.34 28.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.442 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.3 tp60 -133.25 119.46 19.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.846 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 155.94 38.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -126.1 0.77 7.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.51 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 88.4 m-70 -146.22 169.97 17.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.599 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -108.25 102.11 11.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.865 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.7 t80 -114.57 109.92 19.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 4.5 m -79.22 113.75 17.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 110.355 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.865 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.97 116.77 30.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 31.0 p -119.59 93.61 4.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.414 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.471 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -141.56 -175.77 4.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 13.9 t -78.33 -14.38 59.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -156.44 42.85 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.668 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -92.04 168.19 11.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.477 HD22 ' O ' ' A' ' 454' ' ' GLY . 7.3 tp -129.02 113.41 15.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.743 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.38 136.04 37.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.12 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -128.62 139.5 52.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -121.23 130.11 53.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.07 98.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 99.67 51.06 1.33 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.442 ' O ' ' NE2' ' A' ' 415' ' ' GLN . 35.1 t70 -113.26 166.13 11.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.638 HG23 ' CB ' ' A' ' 457' ' ' GLU . 13.7 m -118.79 124.41 73.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.12 HG21 HD11 ' A' ' 430' ' ' LEU . 98.3 t -135.43 148.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.64 HD13 ' CE3' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -107.98 131.69 54.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.342 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.549 HG23 ' CG1' ' A' ' 414' ' ' VAL . 9.9 t -80.05 114.79 21.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.57 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -125.48 152.33 71.48 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 116.84 4.71 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.0 -172.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.153 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -86.33 -17.83 33.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -172.89 148.67 1.72 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.11 19.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -72.77 -17.95 61.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.53 -7.04 42.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.552 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -93.77 152.97 18.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.245 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.413 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 36.1 t0 -107.77 171.36 7.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.08 105.7 13.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.297 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 106.86 -13.87 41.45 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.58 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -119.72 135.94 54.63 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -125.32 170.46 11.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -88.61 113.44 24.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.57 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.99 164.85 24.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.922 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.2 p -125.65 143.54 38.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.455 ' HG3' HG22 ' A' ' 436' ' ' VAL . 1.3 mtmp? -75.54 161.45 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.638 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.8 tt0 -58.48 -40.56 83.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.94 -40.07 96.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.969 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.922 ' HB2' HG22 ' A' ' 455' ' ' VAL . 11.5 m-20 -61.25 -32.99 72.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.64 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -52.43 -47.84 66.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 108.034 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -67.92 -24.88 65.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.428 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.2 mm-40 -85.59 18.08 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.656 ' CG ' ' CZ ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -45.27 -23.35 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.428 ' N ' ' C ' ' A' ' 462' ' ' GLN . 10.2 mttp -57.36 -30.15 64.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . 0.459 ' HB3' ' CG ' ' A' ' 468' ' ' LYS . 23.0 mttm -141.89 51.77 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -30.44 68.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -33.67 66.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.269 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . 0.459 ' CG ' ' HB3' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -104.34 8.65 35.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.412 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -110.31 -4.2 15.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 108.321 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 5.1 mtm180 -67.76 151.26 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 110.286 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -166.36 179.94 40.08 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.39 157.99 36.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 109.317 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.411 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 18.9 p90 -159.08 152.72 19.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.58 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.98 4.75 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.1 -33.93 76.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.234 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -64.6 -21.39 66.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.975 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -94.52 0.53 55.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.975 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -130.21 179.71 5.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.451 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -130.92 150.14 52.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.543 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 4.8 mtt180 -86.09 129.97 34.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.504 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 91.7 t -104.55 115.46 62.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.593 ' CD ' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -87.6 -171.66 3.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 0.748 . . . . 0.0 110.298 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -130.64 -39.73 1.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.545 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 9.7 m-20 -115.36 156.15 26.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.51 161.05 60.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.3 Cg_endo -74.97 135.73 19.52 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 137.19 21.24 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 110.982 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.6 -22.66 19.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.504 1.128 . . . . 0.0 111.03 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 18.1 t80 -36.29 151.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 0.745 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 11.7 mtt -110.97 -71.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.546 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 32.3 p90 -159.84 177.57 10.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.98 147.41 23.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.867 HG22 ' O ' ' A' ' 436' ' ' VAL . 3.5 m -130.5 166.71 27.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.8 tp60 -133.46 121.67 22.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -68.77 150.05 48.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -121.96 -3.3 9.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.571 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.9 m-70 -143.92 169.41 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -108.21 100.47 9.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.873 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.7 t80 -109.24 104.25 13.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.4 m -75.73 113.09 12.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.873 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.32 118.26 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 109.247 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 11.0 p -117.61 94.82 4.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.47 -175.19 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.6 t -83.13 -10.39 58.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 3.6 p-10 -160.73 41.39 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.4 mm-40 -91.33 170.27 10.12 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.704 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -127.03 117.19 21.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.778 ' O ' HD22 ' A' ' 430' ' ' LEU . 3.9 tt0 -85.11 137.68 32.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.283 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.798 HD12 ' HB2' ' A' ' 416' ' ' ALA . 4.4 mm? -129.2 139.76 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -120.15 131.81 55.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.097 . . . . 0.0 109.284 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -39.94 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 48.57 1.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.499 1.125 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.513 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 39.9 t0 -113.97 167.16 10.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.264 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.506 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.2 m -116.2 122.19 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.867 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 t -135.46 141.71 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.9 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -105.57 131.87 52.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.618 HG23 HG13 ' A' ' 414' ' ' VAL . 35.3 t -78.46 120.07 28.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.773 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.85 152.61 77.44 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 116.85 4.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.511 1.795 . . . . 0.0 110.977 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.523 ' CD1' ' N ' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -61.17 -175.77 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.992 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -80.99 -21.31 40.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.294 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -169.3 147.98 3.39 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -17.74 19.28 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.51 -20.47 62.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 -1.27 57.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.494 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -96.85 152.8 18.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.257 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -105.97 170.85 7.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.248 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.34 100.17 9.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 108.93 -0.94 31.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.438 1.087 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.573 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -128.19 144.69 51.14 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.886 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -136.36 172.21 13.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.419 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 1.3 ttm -89.53 113.92 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 111.027 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.773 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.14 171.74 20.93 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.9 HG13 ' HG ' ' A' ' 437' ' ' LEU . 5.9 p -137.28 142.75 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 0.777 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.663 ' HD3' HD11 ' A' ' 428' ' ' LEU . 0.0 OUTLIER -75.94 160.4 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.506 ' HB3' HG23 ' A' ' 435' ' ' VAL . 6.9 tt0 -58.72 -41.3 86.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.298 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -38.65 86.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.984 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.537 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 1.0 OUTLIER -67.5 -31.51 71.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.808 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -51.16 -47.48 62.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 108.026 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -54.65 -25.72 28.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.469 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.4 OUTLIER -87.8 17.41 4.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 405' ' ' ASP . 0.0 OUTLIER -44.45 -23.66 0.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.61 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.469 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.2 tttm -58.65 -41.53 86.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.27 43.05 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.2 pt? -70.06 -29.95 67.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.41 -24.46 19.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 7.93 45.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.98 4.82 8.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -60.17 155.49 17.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.704 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -156.76 -179.1 31.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.421 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.7 t -121.23 153.55 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 0.769 . . . . 0.0 109.309 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.504 ' CE1' HD13 ' A' ' 452' ' ' LEU . 12.4 p90 -160.37 150.76 15.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.573 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.02 116.51 4.61 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.886 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.5 tt0 -67.58 -33.97 76.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.69 -10.65 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.892 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.97 1.47 31.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.892 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -127.84 -179.93 5.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.396 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -128.18 147.64 50.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.276 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.535 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtt180 -84.29 134.45 34.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 482' ' ' PRO . 92.6 t -116.13 133.51 22.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.493 ' NE ' ' N ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -52.35 -177.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 0.776 . . . . 0.0 110.28 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.06 -39.13 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.431 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 20.9 m-20 -114.49 154.05 28.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.67 160.71 58.18 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.02 135.53 19.17 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.461 1.769 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.0 139.35 24.18 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 90.32 -22.35 27.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.103 . . . . 0.0 110.963 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 35.2 t80 -36.82 152.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 7.9 mtt -113.22 -65.32 1.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 34.3 p90 -164.0 177.05 8.8 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.627 ' HE3' HD23 ' A' ' 437' ' ' LEU . 0.1 OUTLIER -96.41 141.86 29.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' A' ' 438' ' ' VAL . 1.1 m -130.75 163.02 37.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 481' ' ' VAL . 0.6 OUTLIER -134.04 128.31 34.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.798 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -68.49 148.1 51.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.4 ' NE2' ' HG3' ' A' ' 479' ' ' GLU . 9.8 mt-30 -117.66 -1.33 11.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.528 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 87.1 m-70 -144.92 170.84 15.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.593 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.75 104.82 14.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.889 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.9 t80 -114.69 103.59 11.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.2 m -76.62 113.03 13.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.889 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.29 118.14 33.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 72.7 p -117.73 94.87 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.466 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.8 t70 -140.85 -175.71 4.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.4 t -86.12 3.93 40.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.426 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -174.87 39.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -91.47 170.06 10.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.307 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.546 HD23 HD21 ' A' ' 430' ' ' LEU . 1.3 tp -122.55 113.76 19.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.599 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.4 tt0 -84.62 135.8 34.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.012 HD11 HG21 ' A' ' 436' ' ' VAL . 4.1 mm? -130.68 147.75 52.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.42 127.93 41.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -31.9 104.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 48.05 2.21 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.613 ' HB3' HD12 ' A' ' 430' ' ' LEU . 3.7 t0 -110.96 167.66 10.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 0.732 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.628 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.3 m -119.6 122.36 68.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.012 HG21 HD11 ' A' ' 430' ' ' LEU . 78.1 t -135.91 149.71 27.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.627 HD23 ' HE3' ' A' ' 413' ' ' LYS . 0.0 OUTLIER -112.08 130.59 55.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.353 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' A' ' 414' ' ' VAL . 40.3 t -79.28 120.69 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.688 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.57 154.14 80.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.18 4.51 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.57 -172.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -82.96 -31.11 27.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.77 146.66 11.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -17.66 19.41 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.459 1.768 . . . . 0.0 111.025 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.1 OUTLIER -69.34 -24.29 63.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.306 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.5 mt-10 -89.66 -15.38 32.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.583 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.6 tt0 -79.65 149.6 31.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.52 134.58 54.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -51.68 117.85 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 101.99 -13.26 57.54 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.579 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 1.1 m95 -129.29 140.35 51.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -132.38 172.07 12.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.335 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.452 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.29 113.91 25.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.984 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.688 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -135.78 160.01 24.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.955 HG22 ' HB2' ' A' ' 459' ' ' ASP . 1.6 p -122.66 144.91 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.484 ' CG ' HG22 ' A' ' 436' ' ' VAL . 1.1 mtmp? -76.81 164.38 25.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.628 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.2 tt0 -58.51 -43.45 89.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -40.93 83.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.955 ' HB2' HG22 ' A' ' 455' ' ' VAL . 79.9 m-20 -68.03 -32.49 72.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.46 ' CE3' HD22 ' A' ' 437' ' ' LEU . 4.3 t90 -51.06 -47.16 61.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -56.59 -25.9 53.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.43 ' C ' ' N ' ' A' ' 464' ' ' LYS . 50.6 mm-40 -88.97 17.15 6.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.343 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.441 ' HA ' HD22 ' A' ' 466' ' ' LEU . 10.0 t60 -45.48 -22.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.602 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.43 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -58.12 -30.45 66.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 468' ' ' LYS . 0.0 OUTLIER -160.03 50.77 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.4 pt? -69.9 -30.8 68.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 4.8 mt-10 -55.4 -18.25 6.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . 0.426 ' CG ' ' O ' ' A' ' 465' ' ' LYS . 0.0 OUTLIER -99.08 7.6 45.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -132.66 10.77 4.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.5 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 1.6 mtt180 -55.51 153.72 7.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.452 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.11 -179.45 32.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.9 t -124.52 151.1 29.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.572 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 7.4 p90 -157.62 149.55 17.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.579 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.96 118.09 5.15 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.586 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.62 -33.09 74.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -69.9 -7.34 39.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.802 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.1 OUTLIER -105.98 1.59 26.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.978 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.802 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -128.26 -179.84 5.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.4 ' HG3' ' NE2' ' A' ' 417' ' ' GLN . 0.4 OUTLIER -133.93 153.95 51.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -76.99 138.46 39.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 415' ' ' GLN . 70.2 t -116.39 115.91 39.66 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.459 1.768 . . . . 0.0 110.946 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.661 ' NH2' ' CE1' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -117.37 147.14 42.91 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 0.794 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.5 pp -100.28 -37.73 8.77 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.573 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 1.8 m-20 -72.5 156.44 39.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.94 157.7 34.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 109.341 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.457 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.4 Cg_endo -74.96 135.14 18.76 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.789 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.1 Cg_endo -75.02 138.95 23.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.94 -22.65 17.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 13.6 t80 -36.36 151.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.422 ' SD ' HG12 ' A' ' 438' ' ' VAL . 10.1 mtt -112.37 -71.41 0.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.0 p90 -160.57 170.43 20.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 111.031 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 435' ' ' VAL . 0.0 OUTLIER -89.05 141.44 28.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.266 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.931 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.7 m -122.56 166.03 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.138 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.519 ' HB2' HG21 ' A' ' 481' ' ' VAL . 26.1 tp60 -131.43 119.68 21.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.71 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.43 145.56 54.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -117.01 -4.82 11.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 86.0 m-70 -143.93 169.45 17.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.595 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -107.42 104.31 13.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.759 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.6 t80 -112.89 104.0 11.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.52 113.99 14.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.759 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -108.62 117.85 35.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 40.0 p -116.26 93.29 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.572 1.17 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.49 -174.08 4.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.405 ' O ' ' CG ' ' A' ' 426' ' ' ASP . 5.8 t -91.12 9.34 31.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 425' ' ' THR . 6.1 m-20 178.6 61.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.457 ' HB2' ' HB1' ' A' ' 422' ' ' ALA . 0.6 OUTLIER -117.42 171.65 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.334 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.731 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -123.21 113.33 18.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.703 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.0 tt0 -80.0 137.53 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.06 HD11 HG21 ' A' ' 436' ' ' VAL . 4.5 mm? -129.14 137.69 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -119.02 131.47 55.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.309 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.44 101.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.65 49.44 1.97 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.563 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 30.5 t0 -114.41 171.26 7.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 457' ' ' GLU . 1.5 m -119.28 124.53 73.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.06 HG21 HD11 ' A' ' 430' ' ' LEU . 4.2 t -137.24 140.03 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.275 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.828 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -100.57 132.46 45.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 HG11 ' A' ' 414' ' ' VAL . 6.9 t -81.68 110.29 16.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.778 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -118.12 153.39 51.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.98 4.74 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.452 1.764 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.57 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -58.38 -172.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.105 . . . . 0.0 110.979 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -81.08 -32.27 34.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -162.09 146.85 9.86 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.97 19.88 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.022 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.49 -27.14 63.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -89.19 -15.63 33.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.57 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 2.1 tt0 -77.65 147.64 35.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -109.97 138.72 45.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.32 112.53 1.59 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.41 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 107.64 -13.14 38.98 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -130.02 135.72 48.59 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.644 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -128.66 172.71 10.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.7 ttm -89.79 113.77 25.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.778 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.33 166.17 23.42 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.828 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.6 p -128.8 145.14 36.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 0.786 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.477 ' HD3' ' CD1' ' A' ' 428' ' ' LEU . 0.1 OUTLIER -77.1 160.41 29.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.559 ' HB3' HG23 ' A' ' 435' ' ' VAL . 7.4 tt0 -59.58 -38.07 80.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -40.98 94.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.015 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.706 ' HB2' HG22 ' A' ' 455' ' ' VAL . 6.9 m-20 -61.12 -32.22 71.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.76 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.6 t90 -51.64 -47.82 63.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 108.005 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -67.52 -25.04 65.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.464 ' C ' ' N ' ' A' ' 464' ' ' LYS . 58.0 mm-40 -85.99 18.31 3.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.661 ' CE1' ' NH2' ' A' ' 403' ' ' ARG . 0.5 OUTLIER -44.86 -23.35 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.464 ' N ' ' C ' ' A' ' 462' ' ' GLN . 1.4 tttp -57.21 -30.23 64.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.14 45.58 2.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.99 -32.79 73.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.28 -18.18 65.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -112.92 7.44 18.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.415 ' SG ' ' CG ' ' A' ' 459' ' ' ASP . 0.1 OUTLIER -113.74 -9.42 13.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.272 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 3.4 mtm180 -59.55 151.83 23.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.731 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -168.29 179.68 41.24 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.561 1.163 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.5 t -124.13 152.21 29.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 0.776 . . . . 0.0 109.334 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 452' ' ' LEU . 9.4 p90 -157.84 151.33 19.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 116.35 4.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.644 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.8 OUTLIER -67.52 -35.18 78.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.09 -11.66 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.942 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -102.39 1.63 35.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 110.955 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.942 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.3 p -128.61 -179.63 5.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.397 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -129.05 148.2 50.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.496 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 5.1 mtm180 -84.67 130.34 34.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.519 HG21 ' HB2' ' A' ' 415' ' ' GLN . 60.7 t -111.59 115.8 51.11 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.109 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.478 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -53.04 167.3 0.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.34 -24.82 9.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.428 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 62.9 m-20 -113.23 148.38 35.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.2 160.01 38.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo -75.05 135.01 18.43 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -74.98 139.87 24.83 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.95 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.418 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 88.67 -22.12 22.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.125 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.552 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.5 t80 -36.63 150.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.468 ' SD ' HG12 ' A' ' 438' ' ' VAL . 11.3 mtt -109.49 -71.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 24.9 p90 -159.2 178.98 9.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.641 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.3 OUTLIER -98.56 143.4 29.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.53 ' HA ' HG23 ' A' ' 481' ' ' VAL . 1.3 m -132.46 157.52 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -123.97 127.54 48.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.695 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -69.95 139.36 52.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -109.67 -5.49 15.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.506 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 84.2 m-70 -141.6 169.58 17.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.566 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.415 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 3.3 p-10 -103.7 106.89 17.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.607 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 8.0 t80 -114.31 102.68 10.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -78.69 113.72 16.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.413 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.607 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -113.62 117.93 32.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 22.0 p -118.85 93.32 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.371 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB3' ' A' ' 427' ' ' GLU . 1.1 t70 -143.1 -174.9 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 9.2 t -94.08 7.68 44.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.436 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 30.7 m-20 -173.6 52.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 424' ' ' ASP . 0.4 OUTLIER -119.2 171.92 7.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.297 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.736 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -125.65 120.52 30.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.67 ' C ' HD22 ' A' ' 430' ' ' LEU . 6.6 tt0 -84.92 140.52 31.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.109 HD11 HG21 ' A' ' 436' ' ' VAL . 4.4 mm? -130.41 147.83 52.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -129.72 131.37 46.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -37.4 100.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 97.42 49.56 1.83 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.551 1.157 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.536 ' OD2' HD13 ' A' ' 430' ' ' LEU . 25.7 t0 -112.27 170.86 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 0.733 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.641 HG13 ' HE3' ' A' ' 413' ' ' LYS . 2.9 t -115.19 123.47 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.109 HG21 HD11 ' A' ' 430' ' ' LEU . 2.9 t -137.52 143.82 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -111.37 131.45 55.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.521 HG23 ' CG1' ' A' ' 414' ' ' VAL . 46.1 t -78.39 121.0 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.741 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.1 OUTLIER -130.19 153.27 81.14 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . 0.418 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.07 116.92 4.72 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.493 1.786 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.56 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.4 -171.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 111.027 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB3' ' NH2' ' A' ' 470' ' ' ARG . 8.0 pt20 -81.66 -28.59 33.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -166.87 148.13 5.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -17.28 19.66 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -14.92 61.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.5 -14.64 19.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.56 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.1 OUTLIER -89.36 150.91 22.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -107.07 174.17 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.88 115.43 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 100.16 -4.24 57.15 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.516 1.135 . . . . 0.0 111.024 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.8 OUTLIER -133.08 137.8 46.5 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.863 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -132.71 172.63 12.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.47 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.7 OUTLIER -88.11 113.58 23.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 111.022 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.741 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.42 166.31 23.85 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.127 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.933 HG22 ' HB2' ' A' ' 459' ' ' ASP . 4.7 p -129.97 145.64 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 0.802 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.466 ' CD ' ' OD2' ' A' ' 434' ' ' ASP . 11.1 mtmt -79.68 163.33 24.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -57.94 -44.8 87.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 1.2 t -57.08 -39.34 74.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 110.052 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.933 ' HB2' HG22 ' A' ' 455' ' ' VAL . 97.4 m-20 -69.22 -34.86 75.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.706 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.8 t90 -53.85 -39.7 65.86 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.55 -25.68 68.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' C ' ' N ' ' A' ' 464' ' ' LYS . 31.8 mm-40 -91.37 18.75 6.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.428 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 10.3 t60 -44.29 -23.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.474 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.8 mttp -57.33 -29.56 64.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -159.95 51.8 0.33 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.444 ' H ' HD23 ' A' ' 466' ' ' LEU . 2.6 pt? -69.47 -30.68 68.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 19.3 mt-10 -55.63 -17.25 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.81 7.94 45.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.416 ' SG ' ' HA ' ' A' ' 466' ' ' LEU . 9.2 p -131.79 9.63 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 108.304 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.48 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 6.3 mtm180 -55.88 147.75 18.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.736 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -159.05 -178.89 33.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.62 156.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.568 0.804 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.598 ' CE1' HD13 ' A' ' 452' ' ' LEU . 8.5 p90 -160.73 148.7 12.75 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.03 115.39 4.27 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.468 1.772 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.863 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.0 OUTLIER -67.59 -32.95 74.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -67.77 -9.47 44.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.882 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -104.82 1.1 28.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.995 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.882 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -125.98 176.43 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.412 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 415' ' ' GLN . 0.4 OUTLIER -122.55 139.01 54.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.468 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 9.7 mtm-85 -79.37 129.78 34.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.608 HG21 ' HZ3' ' A' ' 413' ' ' LYS . 14.1 t -114.76 140.55 25.53 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 481' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.499 ' NE ' ' NE1' ' A' ' 460' ' ' TRP . 0.4 OUTLIER -104.65 -170.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.741 . . . . 0.0 110.26 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.598 ' H ' HD23 ' A' ' 404' ' ' LEU . 1.7 pt? -126.32 -43.23 1.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.577 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 71.7 m-20 -115.84 155.88 27.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.6 160.61 58.55 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.99 136.88 20.99 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.97 139.89 24.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.456 ' HA3' ' CG ' ' A' ' 440' ' ' PRO . . . 89.39 -23.07 20.55 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 26.5 t80 -36.42 148.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.46 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.7 mtt -112.06 -63.11 1.47 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.616 ' CE1' HG21 ' A' ' 438' ' ' VAL . 25.5 p90 -166.31 175.71 8.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.556 ' NZ ' HG21 ' A' ' 481' ' ' VAL . 0.1 OUTLIER -97.18 146.22 25.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.512 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.0 m -129.42 162.44 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 11.5 tp60 -127.68 121.84 31.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.773 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -67.7 147.99 51.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -120.11 -1.48 10.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.573 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.4 m-70 -144.99 169.96 17.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 419' ' ' ASP . 10.6 p-10 -110.74 101.68 10.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.959 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 2.0 t80 -114.64 109.44 18.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.1 m -77.15 113.97 15.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.959 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -112.59 116.62 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 34.8 p -119.94 93.84 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 110.393 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.49 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 2.9 t0 -141.56 -176.49 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 14.8 t -75.59 -15.56 60.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -157.0 44.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.762 ' CG ' ' HB1' ' A' ' 422' ' ' ALA . 0.0 OUTLIER -91.83 167.2 12.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.598 HD22 ' O ' ' A' ' 454' ' ' GLY . 4.3 tp -127.02 113.28 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.089 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -80.03 132.07 35.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.171 . . . . 0.0 110.326 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.829 HD11 ' CG2' ' A' ' 436' ' ' VAL . 2.2 mm? -125.21 142.69 51.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.263 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.475 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -124.73 128.2 48.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.238 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.475 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.67 102.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.93 49.83 1.87 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.528 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 4.4 t70 -113.13 169.17 9.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 0.786 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.463 HG23 ' CB ' ' A' ' 457' ' ' GLU . 2.4 m -120.11 120.79 64.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.829 ' CG2' HD11 ' A' ' 430' ' ' LEU . 25.0 t -134.49 148.51 29.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 460' ' ' TRP . 0.1 OUTLIER -112.26 133.3 54.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.616 HG21 ' CE1' ' A' ' 412' ' ' PHE . 52.0 t -79.3 119.03 27.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.738 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -128.03 153.35 78.4 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . 0.456 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.2 Cg_endo -75.04 117.28 4.84 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CD2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.71 -173.67 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.46 -24.18 31.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.8 146.99 4.18 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.74 19.34 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.471 1.774 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -18.26 62.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.46 -13.84 25.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CD2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -91.31 153.07 20.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.444 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 32.4 t0 -110.13 166.52 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -79.06 106.69 11.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 115.43 -23.04 11.49 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.596 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -118.21 133.71 55.65 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.402 HD23 ' C ' ' A' ' 451' ' ' TRP . 0.0 OUTLIER -122.91 170.43 10.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.7 OUTLIER -87.51 113.41 23.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.738 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -134.38 163.58 24.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.852 HG22 ' HB2' ' A' ' 459' ' ' ASP . 6.6 p -127.45 143.66 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.517 ' CG ' HG22 ' A' ' 436' ' ' VAL . 7.3 mtmp? -74.83 164.09 26.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.463 ' CB ' HG23 ' A' ' 435' ' ' VAL . 2.3 tt0 -58.79 -41.19 86.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -45.1 96.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.852 ' HB2' HG22 ' A' ' 455' ' ' VAL . 49.0 m-20 -68.4 -34.69 76.47 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.51 1.132 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.897 ' HB2' HD11 ' A' ' 437' ' ' LEU . 6.2 t90 -53.7 -48.58 69.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.022 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -55.2 -24.31 26.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.465 ' C ' ' N ' ' A' ' 464' ' ' LYS . 68.5 mm-40 -88.52 19.35 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.579 ' HA ' HD22 ' A' ' 466' ' ' LEU . 0.0 OUTLIER -43.91 -23.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.465 ' N ' ' C ' ' A' ' 462' ' ' GLN . 17.6 tttt -58.01 -30.83 66.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.6 42.01 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.579 HD22 ' HA ' ' A' ' 463' ' ' HIS . 1.1 pt? -69.91 -29.19 66.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 2.6 mt-10 -54.67 -18.02 4.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 7.59 45.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -130.92 9.19 4.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 108.262 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.461 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.9 mtt180 -54.9 151.43 8.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.417 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -157.93 179.47 33.62 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -126.74 160.32 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.528 0.781 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.433 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 15.3 p90 -163.66 154.46 13.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.981 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.596 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.5 Cg_endo -74.99 116.0 4.46 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.487 1.783 . . . . 0.0 111.019 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.25 -30.57 70.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.84 -6.84 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.904 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -106.8 1.92 25.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.904 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.1 p -129.98 179.9 5.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -126.6 142.61 51.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.544 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.0 OUTLIER -81.91 129.56 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 110.297 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.556 HG21 ' NZ ' ' A' ' 413' ' ' LYS . 61.6 t -106.61 117.35 57.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.191 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.563 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -67.4 -170.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 110.309 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.406 ' HG ' ' N ' ' A' ' 405' ' ' ASP . 1.5 pt? -127.15 -41.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.406 ' N ' ' HG ' ' A' ' 404' ' ' LEU . 33.7 m-20 -115.15 155.51 27.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.81 160.62 60.64 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.04 134.39 17.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.454 1.765 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.95 144.86 30.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.448 1.762 . . . . 0.0 110.991 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.03 -24.73 10.22 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.2 t80 -36.24 147.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 8.8 mtt -107.24 -68.78 0.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.57 ' CZ ' ' HD3' ' A' ' 480' ' ' ARG . 34.9 p90 -157.01 176.9 12.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 111.035 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.497 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.6 OUTLIER -96.3 148.05 23.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.2 m -136.46 157.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 479' ' ' GLU . 0.2 OUTLIER -125.84 129.43 49.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.333 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.637 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -71.89 141.61 49.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -111.76 -2.36 15.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.466 ' HB2' ' CD2' ' A' ' 477' ' ' PHE . 87.4 m-70 -145.51 169.61 18.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.592 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.74 102.43 11.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.838 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -111.93 103.53 11.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 3.0 m -76.33 113.05 13.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.838 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.12 118.09 33.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.276 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 25.3 p -117.91 95.26 4.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.379 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.0 t0 -140.77 -175.69 4.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.5 t -85.0 -0.79 55.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.409 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -169.97 41.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.471 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.0 mm-40 -94.05 170.5 9.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.5 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -126.63 113.63 16.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.626 ' O ' HD22 ' A' ' 430' ' ' LEU . 4.5 tt0 -81.62 140.47 34.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.066 HD11 ' CG2' ' A' ' 436' ' ' VAL . 4.2 mm? -130.18 154.48 47.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.496 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -131.41 131.64 43.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . . . . . . . . . . . -41.79 95.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.95 45.22 1.79 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.465 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 35.0 t0 -108.96 173.65 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 0.745 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.497 HG13 ' HE3' ' A' ' 413' ' ' LYS . 3.8 t -112.47 128.32 69.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.066 ' CG2' HD11 ' A' ' 430' ' ' LEU . 2.5 t -138.0 148.3 25.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.866 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -118.01 125.48 50.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.608 HG23 ' CG1' ' A' ' 414' ' ' VAL . 54.0 t -76.82 119.07 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.732 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.74 153.25 77.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.48 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.3 OUTLIER -84.99 -29.91 24.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.409 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -160.36 147.5 12.35 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.251 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -17.45 19.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.564 1.823 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.98 -27.55 64.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -85.44 -14.26 46.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.9 tt0 -81.37 150.51 28.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -114.9 155.0 27.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.63 110.47 6.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 110.309 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 106.08 -4.13 38.45 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.572 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -138.73 138.71 37.93 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.86 171.99 12.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.404 ' CB ' ' HB3' ' A' ' 441' ' ' PHE . 0.3 OUTLIER -87.27 114.48 23.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.732 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -133.51 175.15 20.37 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.09 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.866 HG13 ' HG ' ' A' ' 437' ' ' LEU . 10.7 p -137.4 143.62 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.514 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -81.02 163.06 23.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -58.56 -38.79 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.19 -46.5 86.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.525 ' HB2' HG22 ' A' ' 455' ' ' VAL . 23.6 m-20 -60.04 -32.8 71.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.672 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -52.11 -48.07 64.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -57.99 -25.84 61.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' C ' ' N ' ' A' ' 464' ' ' LYS . 57.5 mm-40 -89.63 16.91 7.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -45.5 -23.58 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.45 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER -57.91 -30.08 65.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.69 54.71 1.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.229 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 466' ' ' LEU . 0.3 OUTLIER -66.87 -31.41 71.99 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -56.22 -17.68 8.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -113.98 8.32 17.12 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.9 0.39 10.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 108.326 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.549 ' HG2' HD12 ' A' ' 466' ' ' LEU . 9.8 mtm180 -67.36 151.7 46.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.39 -178.85 37.43 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.3 t -119.67 150.01 22.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.768 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.568 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 11.4 p90 -154.11 146.78 17.63 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.572 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.27 -32.02 72.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -69.95 -7.48 41.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.142 . . . . 0.0 109.318 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.846 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.19 0.83 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.986 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.846 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.5 p -126.6 179.18 5.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 415' ' ' GLN . 0.5 OUTLIER -126.9 142.63 51.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.253 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.57 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.5 mtm180 -81.32 137.42 35.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.082 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.44 HG21 ' HZ1' ' A' ' 413' ' ' LYS . 44.7 t -125.14 115.84 25.88 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.159 0 O-C-N 124.469 1.773 . . . . 0.0 110.954 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.413 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.567 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -73.45 -178.72 3.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 0.788 . . . . 0.0 110.315 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.65 -38.35 3.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.566 ' HB2' ' CE1' ' A' ' 463' ' ' HIS . 7.4 m-20 -104.21 155.48 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.11 161.05 36.24 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.414 ' HD3' ' NE1' ' A' ' 460' ' ' TRP . 18.1 Cg_endo -75.06 134.46 17.73 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.53 1.805 . . . . 0.0 110.961 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.3 Cg_endo -75.02 141.54 26.7 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.544 1.812 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 88.47 -24.53 11.68 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.534 1.146 . . . . 0.0 110.992 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 15.5 t80 -36.36 146.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 9.1 mtt -107.06 -66.76 0.99 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 25.0 p90 -159.16 -179.92 8.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.801 ' HE3' HG13 ' A' ' 435' ' ' VAL . 0.7 OUTLIER -99.96 147.65 25.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.103 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.622 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.5 m -137.84 164.72 27.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.318 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -134.1 136.06 43.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.882 ' HA ' HG22 ' A' ' 478' ' ' THR . . . -79.12 152.12 30.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -118.67 -0.39 11.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.455 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 88.6 m-70 -146.79 169.35 19.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.616 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 431' ' ' LYS . 0.4 OUTLIER -106.28 99.72 9.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.897 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.0 OUTLIER -108.26 106.82 17.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -76.02 113.7 13.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.37 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.897 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.66 116.79 30.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 23.2 p -118.55 93.87 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.449 ' HB2' ' CG ' ' A' ' 427' ' ' GLU . 4.4 t70 -142.5 -175.42 4.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 12.2 t -87.62 3.43 47.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.436 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 52.7 m-20 -169.89 37.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.449 ' CG ' ' HB2' ' A' ' 424' ' ' ASP . 0.7 OUTLIER -92.79 170.23 9.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.314 179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.801 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.1 OUTLIER -130.18 113.68 14.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.726 ' C ' HD22 ' A' ' 430' ' ' LEU . 3.2 tt0 -78.77 139.58 38.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.075 HD11 HG21 ' A' ' 436' ' ' VAL . 4.3 mm? -130.85 147.11 52.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -127.38 133.26 50.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.324 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.59 101.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 95.45 45.79 2.91 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.484 1.115 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.483 ' HB2' ' CD ' ' A' ' 431' ' ' LYS . 4.4 t70 -107.56 167.36 10.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.801 HG13 ' HE3' ' A' ' 413' ' ' LYS . 10.7 t -111.38 125.75 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 430' ' ' LEU . 2.4 t -137.46 139.89 42.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.36 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.855 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -109.41 126.17 53.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' A' ' 414' ' ' VAL . 39.0 t -74.61 118.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.761 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.09 152.91 76.48 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.46 -175.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.98 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -81.52 -30.61 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.75 147.38 11.79 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -16.75 19.99 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 446' ' ' GLU . 0.4 OUTLIER -70.83 -23.1 62.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' A' ' 445' ' ' GLU . 1.9 mm-40 -89.86 -16.15 30.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.567 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -82.27 151.27 26.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.56 175.13 5.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -89.24 98.33 11.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 120.09 -23.1 8.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.582 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.3 OUTLIER -117.66 135.49 53.97 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.963 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -126.76 171.98 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -87.45 113.12 22.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.761 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.01 167.08 22.98 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.855 HG13 ' HG ' ' A' ' 437' ' ' LEU . 14.4 p -128.75 142.29 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 0.78 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.542 ' HD2' HD13 ' A' ' 430' ' ' LEU . 0.0 OUTLIER -78.79 162.44 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.76 -38.65 78.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.8 -43.65 98.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.64 ' HB2' HG22 ' A' ' 455' ' ' VAL . 21.7 m-20 -63.47 -32.76 74.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.567 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 4.6 t90 -51.76 -47.6 64.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 107.995 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.413 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 42.8 m-80 -56.2 -25.02 45.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.33 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.455 ' C ' ' N ' ' A' ' 464' ' ' LYS . 0.2 OUTLIER -88.47 17.48 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.613 ' HA ' HD22 ' A' ' 466' ' ' LEU . 1.0 OUTLIER -44.65 -23.76 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.592 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.455 ' N ' ' C ' ' A' ' 462' ' ' GLN . 4.0 ttmt -58.72 -34.81 71.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -155.28 48.12 0.53 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.358 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.613 HD22 ' HA ' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -69.03 -30.91 69.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.335 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.438 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 7.3 mt-10 -55.75 -17.67 6.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.29 7.53 44.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -129.49 7.98 5.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 108.299 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.438 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 4.9 mtm180 -55.83 153.41 8.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.801 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -162.74 178.5 38.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.464 ' CG2' ' N ' ' A' ' 473' ' ' PHE . 0.2 OUTLIER -125.67 161.27 30.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 0.0 109.296 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.464 ' N ' ' CG2' ' A' ' 472' ' ' VAL . 11.0 p90 -164.04 156.17 14.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.582 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.2 Cg_endo -75.01 116.88 4.72 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.429 1.752 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.963 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -66.98 -33.48 75.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -63.57 -30.55 71.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 1.031 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -84.24 3.25 36.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.028 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 1.031 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -134.95 179.6 6.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.44 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -141.43 128.15 20.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.488 ' HA ' ' CB ' ' A' ' 414' ' ' VAL . 6.0 ptt180 -75.78 140.77 42.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 12.7 t -100.83 121.2 53.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.578 ' HD2' ' CD1' ' A' ' 460' ' ' TRP . 0.0 OUTLIER -61.23 -170.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.69 -41.96 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.412 ' HB2' ' NE2' ' A' ' 463' ' ' HIS . 12.9 m-20 -115.9 155.21 28.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.08 160.52 51.9 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.1 Cg_endo -75.03 134.48 17.81 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.48 1.779 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -74.95 138.98 23.88 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.31 -20.61 25.43 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.545 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 23.2 t80 -36.6 154.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 0.764 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.527 ' SD ' HG12 ' A' ' 438' ' ' VAL . 12.9 mtt -113.08 -75.37 0.6 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.545 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 16.8 p90 -160.44 175.4 12.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.998 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.37 148.38 22.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.795 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -131.72 161.73 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 24.7 tp60 -127.66 119.68 26.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.865 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -67.12 136.54 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . 0.438 ' CG ' ' HB2' ' A' ' 479' ' ' GLU . 11.1 mt-30 -108.76 -5.61 16.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.262 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.512 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 85.8 m-70 -144.45 170.56 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -107.19 103.8 13.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.902 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -108.57 103.88 13.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.7 m -75.94 113.05 12.99 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.902 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.27 118.48 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 27.7 p -117.27 94.93 4.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.437 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 12.6 t0 -141.13 -175.38 4.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 11.3 t -86.83 3.1 46.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.77 39.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.3 mm-40 -91.19 170.26 10.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.142 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.771 HD23 ' HA3' ' A' ' 471' ' ' GLY . 0.2 OUTLIER -124.01 113.47 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -84.68 136.11 33.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.865 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.3 OUTLIER -129.91 145.53 51.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.473 ' HD2' ' CB ' ' A' ' 434' ' ' ASP . 0.0 OUTLIER -124.46 132.29 53.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -34.91 106.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 96.27 41.5 3.7 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.764 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 5.2 t0 -104.57 163.21 12.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -116.79 118.06 57.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.795 ' O ' HG22 ' A' ' 414' ' ' VAL . 79.1 t -134.56 144.01 36.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.846 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.1 OUTLIER -106.39 132.8 51.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.585 HG23 HG11 ' A' ' 414' ' ' VAL . 42.9 t -78.57 121.47 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.771 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.45 154.0 80.69 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . 0.411 ' CG ' ' HA3' ' A' ' 409' ' ' GLY . 18.3 Cg_endo -74.98 116.79 4.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.468 1.772 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -59.94 -171.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.54 -20.96 32.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -172.64 146.91 1.59 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -17.69 19.34 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.68 -19.09 62.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -94.19 -13.06 27.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.575 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -89.07 151.52 22.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -110.17 159.84 17.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 449' ' ' GLU . 4.9 pt-20 -71.96 115.5 11.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.481 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 100.38 -0.33 55.76 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.4 OUTLIER -138.29 138.88 38.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -133.08 172.6 12.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 2.0 ttm -88.93 115.53 26.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.771 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.94 169.54 22.02 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.846 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.4 p -134.88 144.56 34.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -75.23 159.87 31.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -59.52 -40.94 88.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.288 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -36.99 82.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.609 ' HB2' HG22 ' A' ' 455' ' ' VAL . 60.2 m-20 -67.88 -31.91 72.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.252 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.578 ' CD1' ' HD2' ' A' ' 403' ' ' ARG . 3.7 t90 -51.1 -47.49 61.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 107.978 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -56.2 -25.57 47.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 19.6 mm-40 -88.25 17.23 5.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' ' 405' ' ' ASP . 13.0 t60 -44.95 -23.18 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 109.567 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 8.7 tmtt? -58.71 -34.37 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -152.72 50.85 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.408 ' H ' HD23 ' A' ' 466' ' ' LEU . 2.6 pt? -69.56 -29.88 67.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.457 ' HA ' ' CG ' ' A' ' 470' ' ' ARG . 25.7 mt-10 -54.89 -17.84 4.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 110.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.37 7.57 38.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 1.8 m -126.63 5.83 6.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 108.319 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . 0.457 ' CG ' ' HA ' ' A' ' 467' ' ' GLU . 3.6 mtm180 -61.7 155.36 22.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.771 ' HA3' HD23 ' A' ' 428' ' ' LEU . . . -163.34 178.73 38.84 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.564 1.165 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.75 153.53 25.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.767 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.442 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 9.2 p90 -161.57 150.82 13.45 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -74.99 116.91 4.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.7 OUTLIER -67.62 -34.49 77.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -66.48 -10.5 45.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.848 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -103.06 2.91 35.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.848 HG23 ' CD1' ' A' ' 477' ' ' PHE . 0.9 OUTLIER -128.63 -179.61 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.358 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.438 ' HB2' ' CG ' ' A' ' 417' ' ' GLN . 2.4 tt0 -126.21 148.05 49.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.483 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 4.4 mtm180 -88.51 128.94 35.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 71.1 t -113.75 115.89 45.95 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.53 1.805 . . . . 0.0 111.001 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.502 ' O ' ' CZ ' ' A' ' 403' ' ' ARG . 0.0 OUTLIER -68.33 -171.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 0.803 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 403' ' ' ARG . 1.2 pt? -123.68 -40.37 2.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.48 ' O ' ' CD2' ' A' ' 463' ' ' HIS . 3.3 m-20 -108.15 155.14 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.25 161.75 51.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.08 17.35 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.958 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.66 30.48 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.437 1.756 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 87.84 -22.65 16.77 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.51 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 17.4 t80 -36.84 148.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . . . . . . . . . 10.1 mtt -109.39 -68.29 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.96 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.51 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 27.1 p90 -159.25 -179.99 8.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 435' ' ' VAL . 0.9 OUTLIER -101.8 147.53 26.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 436' ' ' VAL . 2.3 m -134.25 156.42 40.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 479' ' ' GLU . 0.8 OUTLIER -121.69 131.11 53.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 1.122 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -73.12 137.93 45.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -108.86 -4.31 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 86.2 m-70 -142.77 170.32 15.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.593 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.97 104.11 12.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.831 ' CE2' ' HB2' ' A' ' 422' ' ' ALA . 1.4 t80 -114.77 105.1 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.9 m -76.04 114.72 15.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.831 ' HB2' ' CE2' ' A' ' 420' ' ' TYR . . . -109.88 117.79 34.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 36.2 p -116.48 93.18 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.361 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -143.31 -173.86 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . 0.403 ' O ' ' OD1' ' A' ' 426' ' ' ASP . 2.3 t -91.26 7.35 41.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.369 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 425' ' ' THR . 0.5 OUTLIER -178.8 61.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.46 ' C ' ' CD ' ' A' ' 427' ' ' GLU . 0.6 OUTLIER -118.59 171.75 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.403 ' HB2' ' N ' ' A' ' 472' ' ' VAL . 11.4 tp -122.36 113.16 19.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . 0.505 ' O ' HD22 ' A' ' 430' ' ' LEU . 6.2 tt0 -81.24 130.05 34.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.122 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -122.49 142.18 50.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -123.99 128.57 49.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.47 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -35.09 101.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 95.07 52.91 1.69 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.494 1.122 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -114.44 177.39 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 0.763 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 413' ' ' LYS . 96.9 t -118.51 124.73 73.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.771 ' CG2' HD11 ' A' ' 430' ' ' LEU . 5.1 t -138.4 133.29 42.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.571 1.17 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.958 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -104.7 127.79 52.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.457 HG23 ' CG1' ' A' ' 414' ' ' VAL . 59.9 t -76.44 120.92 27.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.764 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.34 153.76 80.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.992 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -84.7 -27.34 27.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.098 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.23 147.0 7.47 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -16.0 20.49 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -23.8 62.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.49 -16.35 30.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 110.341 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.582 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 2.3 tt0 -81.61 150.72 27.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -115.31 164.11 14.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.85 116.03 18.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.29 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.451 ' O ' ' HA ' ' A' ' 474' ' ' PRO . . . 102.39 -15.95 55.65 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.559 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -127.63 137.24 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.835 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.2 OUTLIER -131.11 172.69 11.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.76 113.56 24.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.764 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.5 171.89 21.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.487 1.117 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.958 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -130.27 140.24 49.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 435' ' ' VAL . 19.9 mtmt -79.15 162.0 26.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.475 ' HB2' ' CG1' ' A' ' 435' ' ' VAL . 5.5 tt0 -57.79 -42.14 83.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.78 -45.95 87.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.52 ' HB3' HG23 ' A' ' 455' ' ' VAL . 4.9 m-20 -60.36 -33.26 72.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.556 ' CE3' ' CD1' ' A' ' 437' ' ' LEU . 4.9 t90 -52.16 -46.3 65.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 108.022 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -53.47 -26.0 18.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' A' ' 464' ' ' LYS . 2.1 mp0 -94.45 16.46 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 405' ' ' ASP . 4.2 t60 -46.42 -21.42 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.644 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.458 ' N ' ' C ' ' A' ' 462' ' ' GLN . 2.4 ttmm -58.33 -31.97 68.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.59 55.06 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . 0.428 ' HB3' ' HA ' ' A' ' 463' ' ' HIS . 0.7 OUTLIER -70.73 -30.34 66.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.44 -17.8 3.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -109.48 9.06 25.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.79 12.45 4.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 108.293 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.4 152.71 43.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.311 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -154.41 -179.55 29.78 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.403 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.9 t -126.59 151.0 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 6.8 p90 -157.33 149.15 17.27 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.559 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.3 Cg_endo -75.0 115.45 4.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.835 ' HB2' HD11 ' A' ' 452' ' ' LEU . 0.9 OUTLIER -67.67 -31.28 71.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.07 -6.96 37.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.875 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -108.45 1.33 21.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.875 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.0 OUTLIER -125.76 179.96 4.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.398 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 415' ' ' GLN . 15.5 tt0 -124.32 135.06 53.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 412' ' ' PHE . 0.1 OUTLIER -78.53 127.4 32.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.495 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 39.6 t -111.45 115.94 51.28 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.185 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . 0.441 ' CA ' ' OD1' ' A' ' 461' ' ' ASN . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.589 ' HD3' ' CD2' ' A' ' 463' ' ' HIS . 0.1 OUTLIER -104.36 141.83 35.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.292 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . 0.493 ' N ' ' HG3' ' A' ' 403' ' ' ARG . 1.3 pp -90.69 -37.23 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.552 ' O ' ' CG ' ' A' ' 403' ' ' ARG . 0.2 OUTLIER -71.64 156.21 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -110.62 158.63 34.98 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -74.93 135.89 19.82 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.5 1.79 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.4 Cg_endo -74.99 133.8 17.05 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.527 1.804 . . . . 0.0 111.024 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 93.15 -21.93 37.43 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.053 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.544 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 12.1 t80 -36.66 150.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.457 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.6 mtt -109.61 -71.83 0.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.544 ' HA ' ' CZ ' ' A' ' 410' ' ' PHE . 30.0 p90 -158.64 179.77 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.527 ' HZ3' HG11 ' A' ' 481' ' ' VAL . 0.3 OUTLIER -97.62 151.31 20.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' A' ' 438' ' ' VAL . 2.4 m -133.18 164.61 34.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 28.6 tp60 -132.22 118.79 19.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 110.317 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 1.03 ' HB2' HD12 ' A' ' 430' ' ' LEU . . . -65.09 150.41 48.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -122.4 -2.75 8.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.562 ' HB2' ' CE2' ' A' ' 477' ' ' PHE . 85.2 m-70 -145.48 169.81 17.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.597 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -107.37 99.12 8.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.83 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 2.5 t80 -106.91 104.49 14.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.3 m -75.8 112.8 12.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.424 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.83 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -113.85 118.46 34.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 17.3 p -117.58 95.39 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.41 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.465 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 0.5 OUTLIER -141.19 -175.62 4.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 15.0 t -79.9 -13.27 59.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -161.29 45.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.465 ' HB2' ' CB ' ' A' ' 424' ' ' ASP . 2.1 mm-40 -92.19 169.98 10.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.455 HD13 ' HA3' ' A' ' 471' ' ' GLY . 3.7 tp -123.52 114.69 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -85.65 127.04 34.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.457 1.098 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 1.03 HD12 ' HB2' ' A' ' 416' ' ' ALA . 3.9 mm? -117.14 141.88 47.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 432' ' ' ALA . 0.0 OUTLIER -122.33 128.74 51.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -36.04 100.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . . . . . . . . . . . 97.84 49.79 1.73 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.542 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 23.3 t0 -113.48 167.48 10.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.555 HG23 ' CB ' ' A' ' 457' ' ' GLU . 6.5 m -118.78 124.21 72.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.621 HG21 HD11 ' A' ' 430' ' ' LEU . 46.5 t -136.73 150.37 27.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.721 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -112.18 130.54 55.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.605 HG23 ' CG1' ' A' ' 414' ' ' VAL . 55.7 t -78.37 122.1 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.772 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -127.96 153.56 78.29 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 116.97 4.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.65 -172.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 443' ' ' ASN . 0.7 OUTLIER -82.36 -29.73 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.404 ' N ' ' HG2' ' A' ' 442' ' ' GLN . 0.7 OUTLIER -162.6 146.59 9.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.18 19.87 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.484 1.781 . . . . 0.0 111.031 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -69.92 -27.08 64.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -86.77 -13.14 46.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.58 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 1.8 tt0 -81.19 148.23 29.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -111.45 148.31 33.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.7 109.21 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . 0.477 ' C ' ' CD1' ' A' ' 451' ' ' TRP . . . 109.45 -4.81 31.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.6 OUTLIER -138.32 142.87 39.74 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' ' 475' ' ' GLU . 0.0 OUTLIER -136.45 172.1 13.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . 0.521 ' HE3' ' O ' ' A' ' 471' ' ' GLY . 0.5 OUTLIER -89.12 115.65 26.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.772 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -132.89 174.71 20.4 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.721 HG13 ' HG ' ' A' ' 437' ' ' LEU . 7.7 p -137.36 143.49 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.521 0.777 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.567 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -78.06 161.51 27.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.555 ' CB ' HG23 ' A' ' 435' ' ' VAL . 1.9 tt0 -58.84 -38.79 79.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -45.38 88.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.495 ' CB ' ' CG2' ' A' ' 455' ' ' VAL . 23.9 m-20 -59.4 -33.0 70.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.543 ' CE3' HD13 ' A' ' 437' ' ' LEU . 4.0 t90 -52.74 -48.18 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . 0.441 ' OD1' ' CA ' ' A' ' 402' ' ' GLY . 61.1 m-80 -67.03 -24.04 65.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.459 ' C ' ' N ' ' A' ' 464' ' ' LYS . 16.6 mm-40 -85.21 19.0 2.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.589 ' CD2' ' HD3' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.6 -23.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.459 ' N ' ' C ' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -56.6 -29.97 62.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.47 43.47 2.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.39 69.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -61.84 -18.43 60.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.76 7.42 14.62 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -103.37 -17.68 15.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 108.278 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -52.88 139.47 27.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . 0.521 ' O ' ' HE3' ' A' ' 453' ' ' MET . . . -155.02 -179.61 30.33 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.578 1.174 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.411 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.6 t -125.96 147.7 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 109.305 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CZ ' HD13 ' A' ' 452' ' ' LEU . 14.5 p90 -154.24 146.51 17.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.0 117.64 4.98 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.897 ' HB2' HD11 ' A' ' 452' ' ' LEU . 1.4 tt0 -67.73 -31.08 70.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -70.6 -6.94 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.868 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.52 1.49 18.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.987 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.868 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -128.05 -179.95 5.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.41 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -128.27 144.23 51.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -83.24 129.9 35.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . 0.527 HG11 ' HZ3' ' A' ' 413' ' ' LYS . 66.5 t -111.08 115.86 52.24 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.524 1.802 . . . . 0.0 110.999 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' ARG . . . . . 0.662 ' NH2' ' CE1' ' A' ' 463' ' ' HIS . 0.0 OUTLIER -136.29 142.94 43.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.68 -35.78 10.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' ASP . . . . . 0.547 ' O ' ' CD ' ' A' ' 403' ' ' ARG . 11.6 m-20 -73.46 155.68 39.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.97 158.36 32.06 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 408' ' ' PRO . 18.3 Cg_endo -75.0 135.23 18.8 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.519 1.8 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 407' ' ' PRO . 18.2 Cg_endo -75.03 138.28 22.76 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.781 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' GLY . . . . . 0.422 ' O ' ' C ' ' A' ' 410' ' ' PHE . . . 89.58 -22.5 24.0 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.119 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' PHE . . . . . 0.546 ' CZ ' ' HA ' ' A' ' 412' ' ' PHE . 16.4 t80 -36.01 153.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 0.744 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' MET . . . . . 0.449 ' CE ' HG12 ' A' ' 438' ' ' VAL . 10.0 mtt -113.99 -70.34 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' PHE . . . . . 0.831 ' CE1' HG21 ' A' ' 438' ' ' VAL . 7.2 p90 -159.46 176.63 11.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.051 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' LYS . . . . . 0.656 ' NZ ' HG12 ' A' ' 435' ' ' VAL . 0.2 OUTLIER -94.94 150.21 20.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.725 HG22 ' O ' ' A' ' 436' ' ' VAL . 4.9 m -132.49 166.12 30.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 434' ' ' ASP . 15.7 tp60 -132.79 124.77 28.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.331 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' ALA . . . . . 0.933 ' HB2' HD23 ' A' ' 430' ' ' LEU . . . -71.29 144.94 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -115.79 -2.67 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' HIS . . . . . 0.474 ' O ' ' CZ ' ' A' ' 477' ' ' PHE . 89.4 m-70 -148.06 169.43 19.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -104.67 103.25 12.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' TYR . . . . . 0.905 ' CZ ' ' HB2' ' A' ' 422' ' ' ALA . 1.5 t80 -108.78 103.64 12.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' THR . . . . . . . . . . . . . 1.6 m -76.31 112.92 13.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.451 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' ALA . . . . . 0.905 ' HB2' ' CZ ' ' A' ' 420' ' ' TYR . . . -112.96 118.04 33.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.354 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' THR . . . . . . . . . . . . . 33.5 p -117.47 95.15 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 427' ' ' GLU . 8.9 t0 -140.77 -175.52 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' THR . . . . . . . . . . . . . 5.1 t -83.11 0.21 46.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -174.61 43.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLU . . . . . 0.426 ' HG3' ' HB1' ' A' ' 422' ' ' ALA . 2.3 mm-40 -91.99 170.34 9.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LEU . . . . . 0.615 HD22 ' O ' ' A' ' 454' ' ' GLY . 9.4 tp -121.61 114.79 21.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.65 132.42 34.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.269 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' LEU . . . . . 0.933 HD23 ' HB2' ' A' ' 416' ' ' ALA . 0.5 OUTLIER -125.56 152.07 45.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 433' ' ' GLY . 0.0 OUTLIER -128.9 134.78 48.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 431' ' ' LYS . . . -38.95 98.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.244 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 431' ' ' LYS . . . 101.49 49.37 1.31 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' ASP . . . . . 0.582 ' H ' ' HB3' ' A' ' 416' ' ' ALA . 25.6 t70 -112.43 168.77 9.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 0.781 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' VAL . . . . . 0.656 HG12 ' NZ ' ' A' ' 413' ' ' LYS . 5.3 m -118.76 123.0 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' VAL . . . . . 0.725 ' O ' HG22 ' A' ' 414' ' ' VAL . 44.0 t -134.22 146.5 31.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' LEU . . . . . 0.661 ' HG ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -110.34 130.14 55.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' VAL . . . . . 0.831 HG21 ' CE1' ' A' ' 412' ' ' PHE . 47.5 t -77.97 121.62 31.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ILE . . . . . 0.744 HD13 ' HA2' ' A' ' 454' ' ' GLY . 0.2 OUTLIER -129.28 153.11 80.43 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 116.58 4.63 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 447' ' ' GLN . 0.0 OUTLIER -60.43 -172.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.42 -21.2 42.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -174.45 147.86 1.21 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.442 1.089 . . . . 0.0 109.368 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -16.55 20.39 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.3 -17.43 61.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -95.72 -10.57 28.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.269 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' GLN . . . . . 0.571 ' HB2' ' CE2' ' A' ' 441' ' ' PHE . 0.0 OUTLIER -92.14 153.05 19.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ASP . . . . . 0.407 ' O ' ' NE2' ' A' ' 447' ' ' GLN . 14.7 t70 -110.87 170.06 8.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -82.72 114.64 21.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLY . . . . . . . . . . . . . . . 107.38 -18.16 36.03 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.523 1.139 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' TRP . . . . . 0.578 ' CZ3' ' HG3' ' A' ' 474' ' ' PRO . 0.5 OUTLIER -124.56 143.09 50.88 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 475' ' ' GLU . 0.1 OUTLIER -135.32 172.54 12.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.61 114.07 26.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLY . . . . . 0.744 ' HA2' HD13 ' A' ' 439' ' ' ILE . . . -131.66 174.23 20.2 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.661 HG13 ' HG ' ' A' ' 437' ' ' LEU . 12.4 p -134.96 142.94 38.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' LYS . . . . . 0.624 ' HG3' HG22 ' A' ' 436' ' ' VAL . 0.0 OUTLIER -79.1 160.18 27.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' GLU . . . . . 0.596 ' CB ' HG23 ' A' ' 435' ' ' VAL . 3.6 tt0 -58.13 -36.81 73.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -43.46 90.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ASP . . . . . 0.635 ' HB2' HG22 ' A' ' 455' ' ' VAL . 22.4 m-20 -59.92 -32.96 71.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' TRP . . . . . 0.644 ' CE3' HD13 ' A' ' 437' ' ' LEU . 3.7 t90 -52.8 -47.81 67.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 108.041 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ASN . . . . . . . . . . . . . 66.0 m-80 -67.51 -25.02 65.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.461 ' C ' ' N ' ' A' ' 464' ' ' LYS . 1.1 mp0 -86.56 19.35 2.89 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 110.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.662 ' CE1' ' NH2' ' A' ' 403' ' ' ARG . 0.1 OUTLIER -44.37 -24.0 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.556 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.461 ' N ' ' C ' ' A' ' 462' ' ' GLN . 3.9 ttmt -56.95 -30.46 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -138.86 50.49 1.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -32.63 73.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -64.34 -21.9 66.77 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.45 7.41 20.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' CYS . . . . . 0.511 ' HG ' ' CG ' ' A' ' 459' ' ' ASP . 0.0 OUTLIER -111.54 -10.56 14.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 108.321 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.91 148.41 25.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 110.337 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' GLY . . . . . . . . . . . . . . . -160.13 -179.91 35.23 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' VAL . . . . . 0.429 ' N ' ' HB2' ' A' ' 428' ' ' LEU . 2.3 t -123.73 149.97 27.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.493 0.76 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' PHE . . . . . 0.498 ' CE1' ' HA3' ' A' ' 454' ' ' GLY . 10.1 p90 -154.05 147.13 17.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' PRO . . . . . 0.578 ' HG3' ' CZ3' ' A' ' 451' ' ' TRP . 18.4 Cg_endo -75.02 116.26 4.53 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.49 1.784 . . . . 0.0 111.018 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 452' ' ' LEU . 4.6 tt0 -67.12 -30.09 70.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.26 -6.82 42.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.947 ' CD1' HG23 ' A' ' 478' ' ' THR . 0.0 OUTLIER -110.03 2.24 19.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.997 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' THR . . . . . 0.947 HG23 ' CD1' ' A' ' 477' ' ' PHE . 1.2 p -129.14 -179.83 5.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.439 1.087 . . . . 0.0 110.412 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.88 153.46 51.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 412' ' ' PHE . 0.8 OUTLIER -89.7 139.17 30.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' VAL . . . . . . . . . . . . . 99.4 t -106.36 129.59 24.27 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.134 0 O-C-N 124.48 1.779 . . . . 0.0 110.99 179.994 . . . . . . . . 0 0 . 1 stop_ save_